USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 534 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 36 SER OG : rot 180:sc= 0.315 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -130:sc= 1.85 (180deg=0.592) USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.957 K(o=2.3,f=-2.8) USER MOD Set 2.2: A 61 THR OG1 : rot -179:sc= 1.3 USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0.0282 USER MOD Set 3.2: A 15 CYS SG : rot 180:sc= -0.449 USER MOD Set 3.3: A 18 CYS SG : rot -113:sc= 0.385 USER MOD Single : A 13 MET CE :methyl -159:sc= -0.541 (180deg=-0.6) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.0027) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -104:sc= 2.28 (180deg=-0.79) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 70:sc= -0.917 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.0074) USER MOD Single : A 45 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -15:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -0.181 K(o=-0.18,f=-5.7!) USER MOD Single : A 64 SER OG : rot -19:sc= 0.22 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0961 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -4.761 -12.382 -1.746 1.00 1.07 N ATOM 40 CA GLY A 4 -3.428 -11.952 -1.344 1.00 1.16 C ATOM 41 C GLY A 4 -3.507 -10.738 -0.421 1.00 0.99 C ATOM 42 O GLY A 4 -3.155 -9.618 -0.791 1.00 1.50 O ATOM 0 HA2 GLY A 4 -2.915 -12.769 -0.836 1.00 1.16 H new ATOM 0 HA3 GLY A 4 -2.838 -11.706 -2.227 1.00 1.16 H new ATOM 46 N VAL A 5 -3.970 -10.987 0.807 1.00 1.19 N ATOM 47 CA VAL A 5 -4.107 -9.975 1.841 1.00 1.14 C ATOM 48 C VAL A 5 -2.732 -9.698 2.451 1.00 1.25 C ATOM 49 O VAL A 5 -2.275 -10.427 3.328 1.00 1.76 O ATOM 50 CB VAL A 5 -5.170 -10.400 2.878 1.00 1.44 C ATOM 51 CG1 VAL A 5 -5.008 -11.812 3.465 1.00 2.09 C ATOM 52 CG2 VAL A 5 -5.256 -9.373 4.014 1.00 2.01 C ATOM 0 H VAL A 5 -4.263 -11.916 1.109 1.00 1.19 H new ATOM 0 HA VAL A 5 -4.468 -9.039 1.416 1.00 1.14 H new ATOM 0 HB VAL A 5 -6.099 -10.433 2.310 1.00 1.44 H new ATOM 0 HG11 VAL A 5 -5.808 -12.003 4.180 1.00 2.09 H new ATOM 0 HG12 VAL A 5 -5.056 -12.548 2.662 1.00 2.09 H new ATOM 0 HG13 VAL A 5 -4.045 -11.888 3.969 1.00 2.09 H new ATOM 0 HG21 VAL A 5 -6.010 -9.690 4.735 1.00 2.01 H new ATOM 0 HG22 VAL A 5 -4.289 -9.298 4.511 1.00 2.01 H new ATOM 0 HG23 VAL A 5 -5.531 -8.401 3.605 1.00 2.01 H new ATOM 62 N LEU A 6 -2.067 -8.644 1.979 1.00 1.10 N ATOM 63 CA LEU A 6 -0.838 -8.149 2.572 1.00 1.24 C ATOM 64 C LEU A 6 -1.129 -6.846 3.306 1.00 1.11 C ATOM 65 O LEU A 6 -2.103 -6.145 3.028 1.00 1.63 O ATOM 66 CB LEU A 6 0.261 -7.974 1.517 1.00 1.39 C ATOM 67 CG LEU A 6 1.009 -9.265 1.128 1.00 2.67 C ATOM 68 CD1 LEU A 6 1.726 -9.924 2.314 1.00 3.38 C ATOM 69 CD2 LEU A 6 0.119 -10.288 0.413 1.00 4.34 C ATOM 0 H LEU A 6 -2.374 -8.109 1.167 1.00 1.10 H new ATOM 0 HA LEU A 6 -0.464 -8.881 3.288 1.00 1.24 H new ATOM 0 HB2 LEU A 6 -0.185 -7.547 0.619 1.00 1.39 H new ATOM 0 HB3 LEU A 6 0.987 -7.250 1.888 1.00 1.39 H new ATOM 0 HG LEU A 6 1.769 -8.936 0.419 1.00 2.67 H new ATOM 0 HD11 LEU A 6 2.234 -10.827 1.976 1.00 3.38 H new ATOM 0 HD12 LEU A 6 2.458 -9.230 2.728 1.00 3.38 H new ATOM 0 HD13 LEU A 6 0.997 -10.183 3.082 1.00 3.38 H new ATOM 0 HD21 LEU A 6 0.707 -11.173 0.167 1.00 4.34 H new ATOM 0 HD22 LEU A 6 -0.707 -10.571 1.066 1.00 4.34 H new ATOM 0 HD23 LEU A 6 -0.276 -9.849 -0.503 1.00 4.34 H new ATOM 81 N GLU A 7 -0.275 -6.552 4.283 1.00 0.85 N ATOM 82 CA GLU A 7 -0.383 -5.398 5.145 1.00 0.79 C ATOM 83 C GLU A 7 1.049 -4.975 5.456 1.00 0.78 C ATOM 84 O GLU A 7 1.888 -5.853 5.687 1.00 1.27 O ATOM 85 CB GLU A 7 -1.234 -5.768 6.366 1.00 0.99 C ATOM 86 CG GLU A 7 -1.794 -4.510 7.025 1.00 1.31 C ATOM 87 CD GLU A 7 -0.687 -3.608 7.520 1.00 3.00 C ATOM 88 OE1 GLU A 7 0.117 -4.112 8.332 1.00 3.80 O ATOM 89 OE2 GLU A 7 -0.596 -2.494 6.958 1.00 4.32 O ATOM 0 H GLU A 7 0.534 -7.135 4.496 1.00 0.85 H new ATOM 0 HA GLU A 7 -0.895 -4.547 4.695 1.00 0.79 H new ATOM 0 HB2 GLU A 7 -2.051 -6.422 6.063 1.00 0.99 H new ATOM 0 HB3 GLU A 7 -0.630 -6.324 7.083 1.00 0.99 H new ATOM 0 HG2 GLU A 7 -2.415 -3.969 6.311 1.00 1.31 H new ATOM 0 HG3 GLU A 7 -2.438 -4.790 7.859 1.00 1.31 H new ATOM 96 N LEU A 8 1.336 -3.676 5.419 1.00 0.61 N ATOM 97 CA LEU A 8 2.656 -3.119 5.631 1.00 0.67 C ATOM 98 C LEU A 8 2.521 -1.704 6.181 1.00 0.56 C ATOM 99 O LEU A 8 1.595 -0.977 5.825 1.00 0.71 O ATOM 100 CB LEU A 8 3.462 -3.181 4.320 1.00 0.97 C ATOM 101 CG LEU A 8 2.814 -2.478 3.112 1.00 0.77 C ATOM 102 CD1 LEU A 8 3.376 -1.065 2.939 1.00 1.88 C ATOM 103 CD2 LEU A 8 3.088 -3.271 1.828 1.00 2.01 C ATOM 0 H LEU A 8 0.629 -2.965 5.234 1.00 0.61 H new ATOM 0 HA LEU A 8 3.208 -3.702 6.368 1.00 0.67 H new ATOM 0 HB2 LEU A 8 4.442 -2.737 4.495 1.00 0.97 H new ATOM 0 HB3 LEU A 8 3.627 -4.228 4.064 1.00 0.97 H new ATOM 0 HG LEU A 8 1.741 -2.422 3.296 1.00 0.77 H new ATOM 0 HD11 LEU A 8 2.904 -0.588 2.080 1.00 1.88 H new ATOM 0 HD12 LEU A 8 3.172 -0.480 3.836 1.00 1.88 H new ATOM 0 HD13 LEU A 8 4.453 -1.119 2.778 1.00 1.88 H new ATOM 0 HD21 LEU A 8 2.625 -2.764 0.981 1.00 2.01 H new ATOM 0 HD22 LEU A 8 4.164 -3.340 1.666 1.00 2.01 H new ATOM 0 HD23 LEU A 8 2.670 -4.273 1.923 1.00 2.01 H new ATOM 115 N VAL A 9 3.482 -1.284 7.005 1.00 0.54 N ATOM 116 CA VAL A 9 3.500 0.036 7.583 1.00 0.54 C ATOM 117 C VAL A 9 3.946 0.965 6.465 1.00 0.54 C ATOM 118 O VAL A 9 4.990 0.734 5.856 1.00 0.68 O ATOM 119 CB VAL A 9 4.489 0.038 8.767 1.00 0.57 C ATOM 120 CG1 VAL A 9 5.144 1.398 8.998 1.00 0.69 C ATOM 121 CG2 VAL A 9 3.821 -0.418 10.063 1.00 0.77 C ATOM 0 H VAL A 9 4.272 -1.866 7.285 1.00 0.54 H new ATOM 0 HA VAL A 9 2.532 0.355 7.970 1.00 0.54 H new ATOM 0 HB VAL A 9 5.268 -0.671 8.488 1.00 0.57 H new ATOM 0 HG11 VAL A 9 5.828 1.333 9.844 1.00 0.69 H new ATOM 0 HG12 VAL A 9 5.697 1.692 8.106 1.00 0.69 H new ATOM 0 HG13 VAL A 9 4.375 2.141 9.209 1.00 0.69 H new ATOM 0 HG21 VAL A 9 4.550 -0.403 10.873 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.997 0.254 10.304 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.438 -1.431 9.938 1.00 0.77 H new ATOM 131 N VAL A 10 3.156 2.000 6.189 1.00 0.57 N ATOM 132 CA VAL A 10 3.549 3.094 5.339 1.00 0.56 C ATOM 133 C VAL A 10 3.847 4.273 6.265 1.00 0.66 C ATOM 134 O VAL A 10 3.138 4.508 7.249 1.00 1.03 O ATOM 135 CB VAL A 10 2.441 3.379 4.320 1.00 0.57 C ATOM 136 CG1 VAL A 10 2.843 4.558 3.440 1.00 1.74 C ATOM 137 CG2 VAL A 10 2.229 2.166 3.411 1.00 1.70 C ATOM 0 H VAL A 10 2.211 2.093 6.562 1.00 0.57 H new ATOM 0 HA VAL A 10 4.439 2.874 4.749 1.00 0.56 H new ATOM 0 HB VAL A 10 1.524 3.601 4.867 1.00 0.57 H new ATOM 0 HG11 VAL A 10 2.053 4.758 2.716 1.00 1.74 H new ATOM 0 HG12 VAL A 10 2.998 5.440 4.062 1.00 1.74 H new ATOM 0 HG13 VAL A 10 3.766 4.320 2.912 1.00 1.74 H new ATOM 0 HG21 VAL A 10 1.439 2.384 2.692 1.00 1.70 H new ATOM 0 HG22 VAL A 10 3.154 1.945 2.878 1.00 1.70 H new ATOM 0 HG23 VAL A 10 1.943 1.305 4.015 1.00 1.70 H new ATOM 147 N ARG A 11 4.926 4.983 5.956 1.00 0.67 N ATOM 148 CA ARG A 11 5.443 6.113 6.708 1.00 0.72 C ATOM 149 C ARG A 11 5.991 7.147 5.719 1.00 0.60 C ATOM 150 O ARG A 11 5.966 6.934 4.505 1.00 0.97 O ATOM 151 CB ARG A 11 6.492 5.628 7.726 1.00 0.99 C ATOM 152 CG ARG A 11 7.410 4.535 7.160 1.00 1.56 C ATOM 153 CD ARG A 11 8.874 4.728 7.551 1.00 2.31 C ATOM 154 NE ARG A 11 9.136 4.568 8.984 1.00 2.75 N ATOM 155 CZ ARG A 11 10.374 4.635 9.505 1.00 3.84 C ATOM 156 NH1 ARG A 11 11.422 4.942 8.733 1.00 4.37 N ATOM 157 NH2 ARG A 11 10.560 4.392 10.807 1.00 5.02 N ATOM 0 H ARG A 11 5.490 4.773 5.132 1.00 0.67 H new ATOM 0 HA ARG A 11 4.655 6.595 7.287 1.00 0.72 H new ATOM 0 HB2 ARG A 11 7.098 6.475 8.047 1.00 0.99 H new ATOM 0 HB3 ARG A 11 5.983 5.246 8.611 1.00 0.99 H new ATOM 0 HG2 ARG A 11 7.070 3.562 7.514 1.00 1.56 H new ATOM 0 HG3 ARG A 11 7.328 4.525 6.073 1.00 1.56 H new ATOM 0 HD2 ARG A 11 9.484 4.013 6.999 1.00 2.31 H new ATOM 0 HD3 ARG A 11 9.193 5.724 7.243 1.00 2.31 H new ATOM 0 HE ARG A 11 8.349 4.399 9.610 1.00 2.75 H new ATOM 0 HH11 ARG A 11 11.286 5.128 7.739 1.00 4.37 H new ATOM 0 HH12 ARG A 11 12.357 4.990 9.138 1.00 4.37 H new ATOM 0 HH21 ARG A 11 9.765 4.157 11.401 1.00 5.02 H new ATOM 0 HH22 ARG A 11 11.497 4.442 11.206 1.00 5.02 H new ATOM 171 N GLY A 12 6.425 8.305 6.218 1.00 0.93 N ATOM 172 CA GLY A 12 6.820 9.427 5.377 1.00 1.18 C ATOM 173 C GLY A 12 5.596 10.264 5.005 1.00 1.26 C ATOM 174 O GLY A 12 5.606 11.479 5.183 1.00 1.64 O ATOM 0 H GLY A 12 6.511 8.488 7.218 1.00 0.93 H new ATOM 0 HA2 GLY A 12 7.547 10.046 5.902 1.00 1.18 H new ATOM 0 HA3 GLY A 12 7.307 9.060 4.474 1.00 1.18 H new ATOM 178 N MET A 13 4.538 9.609 4.512 1.00 1.35 N ATOM 179 CA MET A 13 3.270 10.262 4.207 1.00 1.49 C ATOM 180 C MET A 13 2.774 11.108 5.386 1.00 1.29 C ATOM 181 O MET A 13 2.695 10.624 6.515 1.00 1.91 O ATOM 182 CB MET A 13 2.233 9.234 3.739 1.00 1.81 C ATOM 183 CG MET A 13 1.833 8.195 4.786 1.00 1.22 C ATOM 184 SD MET A 13 0.548 7.051 4.230 1.00 1.49 S ATOM 185 CE MET A 13 0.340 6.090 5.733 1.00 1.30 C ATOM 0 H MET A 13 4.542 8.608 4.315 1.00 1.35 H new ATOM 0 HA MET A 13 3.430 10.957 3.382 1.00 1.49 H new ATOM 0 HB2 MET A 13 1.338 9.765 3.416 1.00 1.81 H new ATOM 0 HB3 MET A 13 2.628 8.714 2.866 1.00 1.81 H new ATOM 0 HG2 MET A 13 2.716 7.623 5.072 1.00 1.22 H new ATOM 0 HG3 MET A 13 1.484 8.711 5.681 1.00 1.22 H new ATOM 0 HE1 MET A 13 -0.116 5.130 5.491 1.00 1.30 H new ATOM 0 HE2 MET A 13 1.313 5.924 6.196 1.00 1.30 H new ATOM 0 HE3 MET A 13 -0.303 6.633 6.426 1.00 1.30 H new ATOM 195 N THR A 14 2.478 12.383 5.128 1.00 0.85 N ATOM 196 CA THR A 14 2.222 13.364 6.169 1.00 0.82 C ATOM 197 C THR A 14 0.752 13.420 6.588 1.00 0.73 C ATOM 198 O THR A 14 0.480 13.604 7.774 1.00 1.14 O ATOM 199 CB THR A 14 2.716 14.739 5.696 1.00 1.16 C ATOM 200 OG1 THR A 14 2.208 15.031 4.410 1.00 3.09 O ATOM 201 CG2 THR A 14 4.245 14.764 5.611 1.00 1.55 C ATOM 0 H THR A 14 2.410 12.760 4.183 1.00 0.85 H new ATOM 0 HA THR A 14 2.772 13.059 7.060 1.00 0.82 H new ATOM 0 HB THR A 14 2.368 15.477 6.418 1.00 1.16 H new ATOM 0 HG1 THR A 14 2.530 15.911 4.123 1.00 3.09 H new ATOM 0 HG21 THR A 14 4.575 15.747 5.274 1.00 1.55 H new ATOM 0 HG22 THR A 14 4.667 14.557 6.594 1.00 1.55 H new ATOM 0 HG23 THR A 14 4.583 14.006 4.904 1.00 1.55 H new ATOM 209 N CYS A 15 -0.193 13.351 5.641 1.00 0.56 N ATOM 210 CA CYS A 15 -1.563 13.785 5.901 1.00 0.59 C ATOM 211 C CYS A 15 -2.586 13.052 5.030 1.00 0.54 C ATOM 212 O CYS A 15 -2.237 12.263 4.150 1.00 0.49 O ATOM 213 CB CYS A 15 -1.639 15.303 5.689 1.00 0.65 C ATOM 214 SG CYS A 15 -1.471 15.831 3.965 1.00 0.69 S ATOM 0 H CYS A 15 -0.031 13.001 4.697 1.00 0.56 H new ATOM 0 HA CYS A 15 -1.819 13.537 6.931 1.00 0.59 H new ATOM 0 HB2 CYS A 15 -2.593 15.663 6.075 1.00 0.65 H new ATOM 0 HB3 CYS A 15 -0.856 15.779 6.279 1.00 0.65 H new ATOM 0 HG CYS A 15 -1.552 17.127 3.898 1.00 0.69 H new ATOM 219 N ALA A 16 -3.867 13.361 5.264 1.00 0.60 N ATOM 220 CA ALA A 16 -5.000 12.852 4.501 1.00 0.60 C ATOM 221 C ALA A 16 -4.755 12.954 2.993 1.00 0.55 C ATOM 222 O ALA A 16 -5.073 12.028 2.245 1.00 0.56 O ATOM 223 CB ALA A 16 -6.264 13.624 4.885 1.00 0.73 C ATOM 0 H ALA A 16 -4.146 13.993 6.015 1.00 0.60 H new ATOM 0 HA ALA A 16 -5.127 11.797 4.742 1.00 0.60 H new ATOM 0 HB1 ALA A 16 -7.111 13.243 4.314 1.00 0.73 H new ATOM 0 HB2 ALA A 16 -6.458 13.498 5.950 1.00 0.73 H new ATOM 0 HB3 ALA A 16 -6.125 14.682 4.665 1.00 0.73 H new ATOM 229 N SER A 17 -4.187 14.086 2.559 1.00 0.55 N ATOM 230 CA SER A 17 -3.880 14.346 1.160 1.00 0.60 C ATOM 231 C SER A 17 -2.897 13.307 0.614 1.00 0.56 C ATOM 232 O SER A 17 -2.989 12.936 -0.552 1.00 0.73 O ATOM 233 CB SER A 17 -3.351 15.774 0.975 1.00 0.73 C ATOM 234 OG SER A 17 -3.386 16.147 -0.389 1.00 1.86 O ATOM 0 H SER A 17 -3.928 14.851 3.182 1.00 0.55 H new ATOM 0 HA SER A 17 -4.802 14.259 0.585 1.00 0.60 H new ATOM 0 HB2 SER A 17 -3.951 16.469 1.563 1.00 0.73 H new ATOM 0 HB3 SER A 17 -2.329 15.840 1.349 1.00 0.73 H new ATOM 0 HG SER A 17 -3.046 17.061 -0.487 1.00 1.86 H new ATOM 240 N CYS A 18 -1.961 12.824 1.437 1.00 0.45 N ATOM 241 CA CYS A 18 -1.143 11.686 1.061 1.00 0.45 C ATOM 242 C CYS A 18 -1.987 10.412 1.078 1.00 0.40 C ATOM 243 O CYS A 18 -2.044 9.700 0.081 1.00 0.49 O ATOM 244 CB CYS A 18 0.072 11.574 1.977 1.00 0.52 C ATOM 245 SG CYS A 18 1.121 13.047 2.020 1.00 0.67 S ATOM 0 H CYS A 18 -1.758 13.206 2.361 1.00 0.45 H new ATOM 0 HA CYS A 18 -0.771 11.829 0.047 1.00 0.45 H new ATOM 0 HB2 CYS A 18 -0.271 11.359 2.989 1.00 0.52 H new ATOM 0 HB3 CYS A 18 0.675 10.724 1.657 1.00 0.52 H new ATOM 0 HG CYS A 18 2.273 12.775 1.483 1.00 0.67 H new ATOM 250 N VAL A 19 -2.638 10.121 2.207 1.00 0.40 N ATOM 251 CA VAL A 19 -3.404 8.889 2.406 1.00 0.47 C ATOM 252 C VAL A 19 -4.299 8.583 1.197 1.00 0.44 C ATOM 253 O VAL A 19 -4.127 7.557 0.534 1.00 0.43 O ATOM 254 CB VAL A 19 -4.193 8.980 3.727 1.00 0.63 C ATOM 255 CG1 VAL A 19 -5.248 7.883 3.924 1.00 0.72 C ATOM 256 CG2 VAL A 19 -3.225 8.923 4.915 1.00 0.80 C ATOM 0 H VAL A 19 -2.648 10.741 3.017 1.00 0.40 H new ATOM 0 HA VAL A 19 -2.717 8.047 2.486 1.00 0.47 H new ATOM 0 HB VAL A 19 -4.726 9.929 3.673 1.00 0.63 H new ATOM 0 HG11 VAL A 19 -5.751 8.029 4.880 1.00 0.72 H new ATOM 0 HG12 VAL A 19 -5.980 7.933 3.118 1.00 0.72 H new ATOM 0 HG13 VAL A 19 -4.764 6.907 3.915 1.00 0.72 H new ATOM 0 HG21 VAL A 19 -3.788 8.988 5.846 1.00 0.80 H new ATOM 0 HG22 VAL A 19 -2.672 7.984 4.889 1.00 0.80 H new ATOM 0 HG23 VAL A 19 -2.526 9.757 4.855 1.00 0.80 H new ATOM 266 N HIS A 20 -5.256 9.465 0.891 1.00 0.52 N ATOM 267 CA HIS A 20 -6.217 9.164 -0.168 1.00 0.63 C ATOM 268 C HIS A 20 -5.547 9.132 -1.547 1.00 0.60 C ATOM 269 O HIS A 20 -6.015 8.437 -2.445 1.00 0.68 O ATOM 270 CB HIS A 20 -7.446 10.085 -0.104 1.00 0.80 C ATOM 271 CG HIS A 20 -7.317 11.427 -0.780 1.00 0.79 C ATOM 272 ND1 HIS A 20 -8.284 12.034 -1.549 1.00 0.96 N ATOM 273 CD2 HIS A 20 -6.236 12.263 -0.749 1.00 0.78 C ATOM 274 CE1 HIS A 20 -7.786 13.208 -1.972 1.00 0.96 C ATOM 275 NE2 HIS A 20 -6.540 13.394 -1.512 1.00 0.91 N ATOM 0 H HIS A 20 -5.383 10.368 1.348 1.00 0.52 H new ATOM 0 HA HIS A 20 -6.596 8.156 0.003 1.00 0.63 H new ATOM 0 HB2 HIS A 20 -8.290 9.559 -0.549 1.00 0.80 H new ATOM 0 HB3 HIS A 20 -7.692 10.253 0.944 1.00 0.80 H new ATOM 0 HD2 HIS A 20 -5.309 12.081 -0.226 1.00 0.78 H new ATOM 0 HE1 HIS A 20 -8.318 13.908 -2.599 1.00 0.96 H new ATOM 0 HE2 HIS A 20 -5.936 14.198 -1.684 1.00 0.91 H new ATOM 283 N LYS A 21 -4.446 9.867 -1.723 1.00 0.58 N ATOM 284 CA LYS A 21 -3.682 9.894 -2.960 1.00 0.64 C ATOM 285 C LYS A 21 -3.014 8.537 -3.168 1.00 0.52 C ATOM 286 O LYS A 21 -3.132 7.955 -4.245 1.00 0.60 O ATOM 287 CB LYS A 21 -2.692 11.061 -2.883 1.00 0.79 C ATOM 288 CG LYS A 21 -1.701 11.204 -4.041 1.00 0.85 C ATOM 289 CD LYS A 21 -0.889 12.479 -3.765 1.00 1.28 C ATOM 290 CE LYS A 21 0.103 12.784 -4.893 1.00 1.90 C ATOM 291 NZ LYS A 21 0.941 13.960 -4.579 1.00 2.85 N ATOM 0 H LYS A 21 -4.059 10.467 -0.995 1.00 0.58 H new ATOM 0 HA LYS A 21 -4.317 10.060 -3.830 1.00 0.64 H new ATOM 0 HB2 LYS A 21 -3.263 11.986 -2.809 1.00 0.79 H new ATOM 0 HB3 LYS A 21 -2.122 10.963 -1.959 1.00 0.79 H new ATOM 0 HG2 LYS A 21 -1.048 10.334 -4.102 1.00 0.85 H new ATOM 0 HG3 LYS A 21 -2.225 11.277 -4.994 1.00 0.85 H new ATOM 0 HD2 LYS A 21 -1.569 13.322 -3.642 1.00 1.28 H new ATOM 0 HD3 LYS A 21 -0.347 12.367 -2.826 1.00 1.28 H new ATOM 0 HE2 LYS A 21 0.741 11.917 -5.061 1.00 1.90 H new ATOM 0 HE3 LYS A 21 -0.443 12.963 -5.819 1.00 1.90 H new ATOM 0 HZ1 LYS A 21 1.600 14.136 -5.364 1.00 2.85 H new ATOM 0 HZ2 LYS A 21 0.333 14.793 -4.443 1.00 2.85 H new ATOM 0 HZ3 LYS A 21 1.480 13.779 -3.708 1.00 2.85 H new ATOM 305 N ILE A 22 -2.341 8.016 -2.137 1.00 0.40 N ATOM 306 CA ILE A 22 -1.775 6.673 -2.157 1.00 0.39 C ATOM 307 C ILE A 22 -2.889 5.701 -2.522 1.00 0.38 C ATOM 308 O ILE A 22 -2.792 5.013 -3.534 1.00 0.42 O ATOM 309 CB ILE A 22 -1.135 6.313 -0.802 1.00 0.48 C ATOM 310 CG1 ILE A 22 0.050 7.240 -0.513 1.00 0.59 C ATOM 311 CG2 ILE A 22 -0.647 4.857 -0.782 1.00 0.62 C ATOM 312 CD1 ILE A 22 0.420 7.237 0.969 1.00 0.86 C ATOM 0 H ILE A 22 -2.176 8.519 -1.265 1.00 0.40 H new ATOM 0 HA ILE A 22 -0.977 6.617 -2.897 1.00 0.39 H new ATOM 0 HB ILE A 22 -1.900 6.437 -0.035 1.00 0.48 H new ATOM 0 HG12 ILE A 22 0.911 6.926 -1.104 1.00 0.59 H new ATOM 0 HG13 ILE A 22 -0.197 8.255 -0.825 1.00 0.59 H new ATOM 0 HG21 ILE A 22 -0.201 4.636 0.188 1.00 0.62 H new ATOM 0 HG22 ILE A 22 -1.490 4.188 -0.954 1.00 0.62 H new ATOM 0 HG23 ILE A 22 0.097 4.712 -1.565 1.00 0.62 H new ATOM 0 HD11 ILE A 22 1.264 7.906 1.135 1.00 0.86 H new ATOM 0 HD12 ILE A 22 -0.432 7.576 1.558 1.00 0.86 H new ATOM 0 HD13 ILE A 22 0.692 6.227 1.274 1.00 0.86 H new ATOM 324 N GLU A 23 -3.957 5.674 -1.722 1.00 0.43 N ATOM 325 CA GLU A 23 -5.059 4.740 -1.903 1.00 0.53 C ATOM 326 C GLU A 23 -5.568 4.787 -3.349 1.00 0.53 C ATOM 327 O GLU A 23 -5.597 3.774 -4.053 1.00 0.63 O ATOM 328 CB GLU A 23 -6.155 5.067 -0.877 1.00 0.65 C ATOM 329 CG GLU A 23 -6.968 3.841 -0.462 1.00 1.31 C ATOM 330 CD GLU A 23 -7.758 4.132 0.804 1.00 2.20 C ATOM 331 OE1 GLU A 23 -8.872 4.679 0.670 1.00 2.69 O ATOM 332 OE2 GLU A 23 -7.206 3.828 1.885 1.00 3.58 O ATOM 0 H GLU A 23 -4.078 6.304 -0.929 1.00 0.43 H new ATOM 0 HA GLU A 23 -4.726 3.717 -1.729 1.00 0.53 H new ATOM 0 HB2 GLU A 23 -5.697 5.509 0.008 1.00 0.65 H new ATOM 0 HB3 GLU A 23 -6.826 5.816 -1.297 1.00 0.65 H new ATOM 0 HG2 GLU A 23 -7.648 3.559 -1.266 1.00 1.31 H new ATOM 0 HG3 GLU A 23 -6.302 2.994 -0.296 1.00 1.31 H new ATOM 339 N SER A 24 -5.905 5.996 -3.805 1.00 0.49 N ATOM 340 CA SER A 24 -6.380 6.268 -5.150 1.00 0.54 C ATOM 341 C SER A 24 -5.372 5.816 -6.210 1.00 0.54 C ATOM 342 O SER A 24 -5.789 5.342 -7.265 1.00 0.63 O ATOM 343 CB SER A 24 -6.723 7.755 -5.302 1.00 0.59 C ATOM 344 OG SER A 24 -7.313 7.992 -6.568 1.00 0.82 O ATOM 0 H SER A 24 -5.851 6.833 -3.225 1.00 0.49 H new ATOM 0 HA SER A 24 -7.288 5.687 -5.311 1.00 0.54 H new ATOM 0 HB2 SER A 24 -7.407 8.061 -4.510 1.00 0.59 H new ATOM 0 HB3 SER A 24 -5.821 8.357 -5.194 1.00 0.59 H new ATOM 0 HG SER A 24 -7.530 8.944 -6.655 1.00 0.82 H new ATOM 350 N SER A 25 -4.069 5.977 -5.963 1.00 0.51 N ATOM 351 CA SER A 25 -3.013 5.573 -6.884 1.00 0.55 C ATOM 352 C SER A 25 -2.895 4.049 -6.935 1.00 0.61 C ATOM 353 O SER A 25 -2.675 3.471 -7.994 1.00 0.79 O ATOM 354 CB SER A 25 -1.679 6.214 -6.476 1.00 0.54 C ATOM 355 OG SER A 25 -0.706 6.035 -7.488 1.00 1.17 O ATOM 0 H SER A 25 -3.717 6.398 -5.103 1.00 0.51 H new ATOM 0 HA SER A 25 -3.270 5.922 -7.884 1.00 0.55 H new ATOM 0 HB2 SER A 25 -1.824 7.278 -6.288 1.00 0.54 H new ATOM 0 HB3 SER A 25 -1.327 5.771 -5.544 1.00 0.54 H new ATOM 0 HG SER A 25 0.136 6.452 -7.210 1.00 1.17 H new ATOM 361 N LEU A 26 -3.005 3.403 -5.777 1.00 0.60 N ATOM 362 CA LEU A 26 -2.867 1.970 -5.622 1.00 0.71 C ATOM 363 C LEU A 26 -4.021 1.276 -6.327 1.00 0.71 C ATOM 364 O LEU A 26 -3.785 0.381 -7.137 1.00 0.73 O ATOM 365 CB LEU A 26 -2.811 1.607 -4.132 1.00 0.82 C ATOM 366 CG LEU A 26 -1.368 1.348 -3.675 1.00 0.85 C ATOM 367 CD1 LEU A 26 -0.497 2.597 -3.821 1.00 2.44 C ATOM 368 CD2 LEU A 26 -1.380 0.901 -2.214 1.00 2.12 C ATOM 0 H LEU A 26 -3.199 3.883 -4.898 1.00 0.60 H new ATOM 0 HA LEU A 26 -1.936 1.632 -6.077 1.00 0.71 H new ATOM 0 HB2 LEU A 26 -3.242 2.416 -3.542 1.00 0.82 H new ATOM 0 HB3 LEU A 26 -3.418 0.720 -3.948 1.00 0.82 H new ATOM 0 HG LEU A 26 -0.943 0.569 -4.308 1.00 0.85 H new ATOM 0 HD11 LEU A 26 0.517 2.375 -3.488 1.00 2.44 H new ATOM 0 HD12 LEU A 26 -0.476 2.906 -4.866 1.00 2.44 H new ATOM 0 HD13 LEU A 26 -0.910 3.402 -3.213 1.00 2.44 H new ATOM 0 HD21 LEU A 26 -0.359 0.715 -1.882 1.00 2.12 H new ATOM 0 HD22 LEU A 26 -1.825 1.682 -1.598 1.00 2.12 H new ATOM 0 HD23 LEU A 26 -1.965 -0.014 -2.118 1.00 2.12 H new ATOM 380 N THR A 27 -5.262 1.683 -6.031 1.00 0.74 N ATOM 381 CA THR A 27 -6.454 1.140 -6.676 1.00 0.73 C ATOM 382 C THR A 27 -6.555 1.628 -8.138 1.00 0.74 C ATOM 383 O THR A 27 -7.480 2.336 -8.531 1.00 1.85 O ATOM 384 CB THR A 27 -7.692 1.381 -5.789 1.00 1.11 C ATOM 385 OG1 THR A 27 -8.749 0.532 -6.186 1.00 2.76 O ATOM 386 CG2 THR A 27 -8.193 2.828 -5.757 1.00 1.67 C ATOM 0 H THR A 27 -5.463 2.401 -5.335 1.00 0.74 H new ATOM 0 HA THR A 27 -6.387 0.056 -6.767 1.00 0.73 H new ATOM 0 HB THR A 27 -7.361 1.154 -4.776 1.00 1.11 H new ATOM 0 HG1 THR A 27 -9.529 0.692 -5.615 1.00 2.76 H new ATOM 0 HG21 THR A 27 -9.066 2.897 -5.107 1.00 1.67 H new ATOM 0 HG22 THR A 27 -7.405 3.478 -5.376 1.00 1.67 H new ATOM 0 HG23 THR A 27 -8.466 3.141 -6.765 1.00 1.67 H new ATOM 394 N LYS A 28 -5.550 1.281 -8.941 1.00 1.12 N ATOM 395 CA LYS A 28 -5.372 1.565 -10.361 1.00 0.92 C ATOM 396 C LYS A 28 -4.720 0.346 -11.009 1.00 0.84 C ATOM 397 O LYS A 28 -5.169 -0.101 -12.062 1.00 1.02 O ATOM 398 CB LYS A 28 -4.435 2.756 -10.622 1.00 1.08 C ATOM 399 CG LYS A 28 -4.799 4.096 -9.979 1.00 2.02 C ATOM 400 CD LYS A 28 -5.746 5.011 -10.775 1.00 3.26 C ATOM 401 CE LYS A 28 -7.247 4.805 -10.533 1.00 5.34 C ATOM 402 NZ LYS A 28 -7.614 4.923 -9.106 1.00 6.83 N ATOM 0 H LYS A 28 -4.765 0.742 -8.576 1.00 1.12 H new ATOM 0 HA LYS A 28 -6.355 1.800 -10.769 1.00 0.92 H new ATOM 0 HB2 LYS A 28 -3.437 2.480 -10.281 1.00 1.08 H new ATOM 0 HB3 LYS A 28 -4.374 2.906 -11.700 1.00 1.08 H new ATOM 0 HG2 LYS A 28 -5.255 3.895 -9.010 1.00 2.02 H new ATOM 0 HG3 LYS A 28 -3.876 4.644 -9.790 1.00 2.02 H new ATOM 0 HD2 LYS A 28 -5.500 6.047 -10.540 1.00 3.26 H new ATOM 0 HD3 LYS A 28 -5.547 4.869 -11.837 1.00 3.26 H new ATOM 0 HE2 LYS A 28 -7.809 5.539 -11.111 1.00 5.34 H new ATOM 0 HE3 LYS A 28 -7.539 3.821 -10.899 1.00 5.34 H new ATOM 0 HZ1 LYS A 28 -7.780 3.975 -8.711 1.00 6.83 H new ATOM 0 HZ2 LYS A 28 -6.841 5.384 -8.586 1.00 6.83 H new ATOM 0 HZ3 LYS A 28 -8.480 5.492 -9.016 1.00 6.83 H new ATOM 416 N HIS A 29 -3.645 -0.180 -10.400 1.00 0.75 N ATOM 417 CA HIS A 29 -2.732 -1.130 -11.041 1.00 0.95 C ATOM 418 C HIS A 29 -3.317 -2.539 -11.296 1.00 1.51 C ATOM 419 O HIS A 29 -2.551 -3.496 -11.378 1.00 3.19 O ATOM 420 CB HIS A 29 -1.437 -1.243 -10.216 1.00 1.10 C ATOM 421 CG HIS A 29 -0.873 0.048 -9.671 1.00 0.91 C ATOM 422 ND1 HIS A 29 -0.320 1.074 -10.402 1.00 1.91 N ATOM 423 CD2 HIS A 29 -0.683 0.340 -8.347 1.00 1.09 C ATOM 424 CE1 HIS A 29 0.184 1.966 -9.530 1.00 1.83 C ATOM 425 NE2 HIS A 29 -0.002 1.558 -8.263 1.00 1.21 N ATOM 0 H HIS A 29 -3.386 0.047 -9.440 1.00 0.75 H new ATOM 0 HA HIS A 29 -2.536 -0.719 -12.031 1.00 0.95 H new ATOM 0 HB2 HIS A 29 -1.623 -1.915 -9.378 1.00 1.10 H new ATOM 0 HB3 HIS A 29 -0.675 -1.713 -10.838 1.00 1.10 H new ATOM 0 HD1 HIS A 29 -0.296 1.145 -11.419 1.00 1.91 H new ATOM 0 HD2 HIS A 29 -1.004 -0.266 -7.512 1.00 1.09 H new ATOM 0 HE1 HIS A 29 0.673 2.887 -9.811 1.00 1.83 H new ATOM 433 N ARG A 30 -4.639 -2.683 -11.442 1.00 0.77 N ATOM 434 CA ARG A 30 -5.370 -3.894 -11.811 1.00 0.98 C ATOM 435 C ARG A 30 -5.296 -5.013 -10.769 1.00 0.83 C ATOM 436 O ARG A 30 -6.325 -5.442 -10.257 1.00 1.66 O ATOM 437 CB ARG A 30 -4.974 -4.394 -13.207 1.00 1.65 C ATOM 438 CG ARG A 30 -5.275 -3.340 -14.282 1.00 2.55 C ATOM 439 CD ARG A 30 -4.981 -3.876 -15.691 1.00 3.65 C ATOM 440 NE ARG A 30 -5.738 -5.104 -15.999 1.00 4.41 N ATOM 441 CZ ARG A 30 -7.047 -5.170 -16.290 1.00 4.82 C ATOM 442 NH1 ARG A 30 -7.777 -4.050 -16.336 1.00 4.74 N ATOM 443 NH2 ARG A 30 -7.622 -6.353 -16.532 1.00 6.15 N ATOM 0 H ARG A 30 -5.270 -1.896 -11.294 1.00 0.77 H new ATOM 0 HA ARG A 30 -6.418 -3.597 -11.842 1.00 0.98 H new ATOM 0 HB2 ARG A 30 -3.912 -4.638 -13.221 1.00 1.65 H new ATOM 0 HB3 ARG A 30 -5.515 -5.313 -13.434 1.00 1.65 H new ATOM 0 HG2 ARG A 30 -6.321 -3.040 -14.216 1.00 2.55 H new ATOM 0 HG3 ARG A 30 -4.675 -2.449 -14.098 1.00 2.55 H new ATOM 0 HD2 ARG A 30 -5.225 -3.109 -16.426 1.00 3.65 H new ATOM 0 HD3 ARG A 30 -3.914 -4.078 -15.784 1.00 3.65 H new ATOM 0 HE ARG A 30 -5.220 -5.983 -15.990 1.00 4.41 H new ATOM 0 HH11 ARG A 30 -7.339 -3.148 -16.150 1.00 4.74 H new ATOM 0 HH12 ARG A 30 -8.772 -4.098 -16.557 1.00 4.74 H new ATOM 0 HH21 ARG A 30 -7.066 -7.207 -16.496 1.00 6.15 H new ATOM 0 HH22 ARG A 30 -8.617 -6.401 -16.753 1.00 6.15 H new ATOM 457 N GLY A 31 -4.096 -5.505 -10.466 1.00 0.75 N ATOM 458 CA GLY A 31 -3.898 -6.603 -9.535 1.00 0.71 C ATOM 459 C GLY A 31 -4.292 -6.256 -8.103 1.00 0.67 C ATOM 460 O GLY A 31 -4.448 -7.155 -7.279 1.00 1.04 O ATOM 0 H GLY A 31 -3.229 -5.146 -10.866 1.00 0.75 H new ATOM 0 HA2 GLY A 31 -4.481 -7.462 -9.867 1.00 0.71 H new ATOM 0 HA3 GLY A 31 -2.850 -6.902 -9.554 1.00 0.71 H new ATOM 464 N ILE A 32 -4.443 -4.963 -7.806 1.00 0.66 N ATOM 465 CA ILE A 32 -4.880 -4.452 -6.520 1.00 0.71 C ATOM 466 C ILE A 32 -6.402 -4.596 -6.454 1.00 0.75 C ATOM 467 O ILE A 32 -7.122 -3.830 -7.091 1.00 1.16 O ATOM 468 CB ILE A 32 -4.435 -2.981 -6.390 1.00 0.97 C ATOM 469 CG1 ILE A 32 -2.956 -2.768 -6.756 1.00 2.28 C ATOM 470 CG2 ILE A 32 -4.714 -2.443 -4.982 1.00 2.08 C ATOM 471 CD1 ILE A 32 -1.981 -3.616 -5.948 1.00 4.30 C ATOM 0 H ILE A 32 -4.256 -4.223 -8.483 1.00 0.66 H new ATOM 0 HA ILE A 32 -4.438 -5.006 -5.692 1.00 0.71 H new ATOM 0 HB ILE A 32 -5.029 -2.419 -7.111 1.00 0.97 H new ATOM 0 HG12 ILE A 32 -2.820 -2.989 -7.815 1.00 2.28 H new ATOM 0 HG13 ILE A 32 -2.707 -1.716 -6.616 1.00 2.28 H new ATOM 0 HG21 ILE A 32 -4.390 -1.404 -4.919 1.00 2.08 H new ATOM 0 HG22 ILE A 32 -5.782 -2.504 -4.774 1.00 2.08 H new ATOM 0 HG23 ILE A 32 -4.168 -3.038 -4.250 1.00 2.08 H new ATOM 0 HD11 ILE A 32 -0.961 -3.404 -6.270 1.00 4.30 H new ATOM 0 HD12 ILE A 32 -2.084 -3.379 -4.889 1.00 4.30 H new ATOM 0 HD13 ILE A 32 -2.199 -4.672 -6.107 1.00 4.30 H new ATOM 483 N LEU A 33 -6.895 -5.569 -5.685 1.00 0.65 N ATOM 484 CA LEU A 33 -8.322 -5.797 -5.510 1.00 0.72 C ATOM 485 C LEU A 33 -8.877 -4.782 -4.513 1.00 0.69 C ATOM 486 O LEU A 33 -9.986 -4.284 -4.700 1.00 0.77 O ATOM 487 CB LEU A 33 -8.596 -7.227 -5.015 1.00 0.82 C ATOM 488 CG LEU A 33 -8.621 -8.316 -6.102 1.00 1.31 C ATOM 489 CD1 LEU A 33 -9.819 -8.168 -7.047 1.00 3.10 C ATOM 490 CD2 LEU A 33 -7.322 -8.380 -6.910 1.00 1.82 C ATOM 0 H LEU A 33 -6.308 -6.222 -5.165 1.00 0.65 H new ATOM 0 HA LEU A 33 -8.817 -5.675 -6.474 1.00 0.72 H new ATOM 0 HB2 LEU A 33 -7.834 -7.490 -4.281 1.00 0.82 H new ATOM 0 HB3 LEU A 33 -9.555 -7.235 -4.497 1.00 0.82 H new ATOM 0 HG LEU A 33 -8.724 -9.257 -5.562 1.00 1.31 H new ATOM 0 HD11 LEU A 33 -9.792 -8.960 -7.796 1.00 3.10 H new ATOM 0 HD12 LEU A 33 -10.744 -8.241 -6.476 1.00 3.10 H new ATOM 0 HD13 LEU A 33 -9.774 -7.198 -7.542 1.00 3.10 H new ATOM 0 HD21 LEU A 33 -7.399 -9.166 -7.661 1.00 1.82 H new ATOM 0 HD22 LEU A 33 -7.153 -7.423 -7.403 1.00 1.82 H new ATOM 0 HD23 LEU A 33 -6.488 -8.597 -6.242 1.00 1.82 H new ATOM 502 N TYR A 34 -8.123 -4.470 -3.454 1.00 0.61 N ATOM 503 CA TYR A 34 -8.525 -3.454 -2.493 1.00 0.62 C ATOM 504 C TYR A 34 -7.281 -2.850 -1.862 1.00 0.57 C ATOM 505 O TYR A 34 -6.255 -3.521 -1.760 1.00 0.54 O ATOM 506 CB TYR A 34 -9.444 -4.061 -1.424 1.00 0.68 C ATOM 507 CG TYR A 34 -9.984 -3.071 -0.411 1.00 0.68 C ATOM 508 CD1 TYR A 34 -10.844 -2.038 -0.825 1.00 2.11 C ATOM 509 CD2 TYR A 34 -9.648 -3.199 0.951 1.00 1.98 C ATOM 510 CE1 TYR A 34 -11.369 -1.140 0.118 1.00 2.10 C ATOM 511 CE2 TYR A 34 -10.209 -2.326 1.898 1.00 2.08 C ATOM 512 CZ TYR A 34 -11.066 -1.293 1.480 1.00 0.92 C ATOM 513 OH TYR A 34 -11.645 -0.468 2.399 1.00 1.18 O ATOM 0 H TYR A 34 -7.228 -4.912 -3.246 1.00 0.61 H new ATOM 0 HA TYR A 34 -9.084 -2.669 -3.002 1.00 0.62 H new ATOM 0 HB2 TYR A 34 -10.285 -4.546 -1.921 1.00 0.68 H new ATOM 0 HB3 TYR A 34 -8.896 -4.839 -0.893 1.00 0.68 H new ATOM 0 HD1 TYR A 34 -11.101 -1.935 -1.869 1.00 2.11 H new ATOM 0 HD2 TYR A 34 -8.959 -3.968 1.267 1.00 1.98 H new ATOM 0 HE1 TYR A 34 -12.007 -0.330 -0.205 1.00 2.10 H new ATOM 0 HE2 TYR A 34 -9.982 -2.448 2.947 1.00 2.08 H new ATOM 0 HH TYR A 34 -11.331 -0.706 3.296 1.00 1.18 H new ATOM 523 N CYS A 35 -7.396 -1.592 -1.436 1.00 0.61 N ATOM 524 CA CYS A 35 -6.389 -0.849 -0.704 1.00 0.60 C ATOM 525 C CYS A 35 -7.117 -0.119 0.418 1.00 0.67 C ATOM 526 O CYS A 35 -8.165 0.471 0.166 1.00 1.05 O ATOM 527 CB CYS A 35 -5.718 0.165 -1.631 1.00 0.68 C ATOM 528 SG CYS A 35 -4.479 1.046 -0.663 1.00 2.11 S ATOM 0 H CYS A 35 -8.239 -1.043 -1.604 1.00 0.61 H new ATOM 0 HA CYS A 35 -5.618 -1.511 -0.310 1.00 0.60 H new ATOM 0 HB2 CYS A 35 -5.255 -0.339 -2.479 1.00 0.68 H new ATOM 0 HB3 CYS A 35 -6.454 0.860 -2.036 1.00 0.68 H new ATOM 0 HG CYS A 35 -3.496 0.243 -0.382 1.00 2.11 H new ATOM 534 N SER A 36 -6.605 -0.192 1.647 1.00 0.51 N ATOM 535 CA SER A 36 -7.001 0.681 2.737 1.00 0.59 C ATOM 536 C SER A 36 -5.720 1.139 3.427 1.00 0.59 C ATOM 537 O SER A 36 -5.135 0.357 4.189 1.00 0.71 O ATOM 538 CB SER A 36 -7.962 -0.046 3.683 1.00 0.76 C ATOM 539 OG SER A 36 -8.228 0.724 4.849 1.00 1.47 O ATOM 0 H SER A 36 -5.892 -0.873 1.911 1.00 0.51 H new ATOM 0 HA SER A 36 -7.547 1.554 2.378 1.00 0.59 H new ATOM 0 HB2 SER A 36 -8.897 -0.256 3.163 1.00 0.76 H new ATOM 0 HB3 SER A 36 -7.534 -1.007 3.970 1.00 0.76 H new ATOM 0 HG SER A 36 -8.845 0.234 5.431 1.00 1.47 H new ATOM 545 N VAL A 37 -5.296 2.381 3.184 1.00 0.63 N ATOM 546 CA VAL A 37 -4.091 2.975 3.750 1.00 0.71 C ATOM 547 C VAL A 37 -4.469 3.953 4.865 1.00 0.81 C ATOM 548 O VAL A 37 -5.541 4.550 4.826 1.00 0.98 O ATOM 549 CB VAL A 37 -3.238 3.595 2.623 1.00 1.01 C ATOM 550 CG1 VAL A 37 -3.821 4.888 2.057 1.00 1.61 C ATOM 551 CG2 VAL A 37 -1.806 3.872 3.081 1.00 2.68 C ATOM 0 H VAL A 37 -5.801 3.018 2.568 1.00 0.63 H new ATOM 0 HA VAL A 37 -3.466 2.215 4.218 1.00 0.71 H new ATOM 0 HB VAL A 37 -3.241 2.844 1.833 1.00 1.01 H new ATOM 0 HG11 VAL A 37 -3.169 5.267 1.270 1.00 1.61 H new ATOM 0 HG12 VAL A 37 -4.811 4.691 1.645 1.00 1.61 H new ATOM 0 HG13 VAL A 37 -3.900 5.630 2.851 1.00 1.61 H new ATOM 0 HG21 VAL A 37 -1.239 4.308 2.259 1.00 2.68 H new ATOM 0 HG22 VAL A 37 -1.821 4.567 3.920 1.00 2.68 H new ATOM 0 HG23 VAL A 37 -1.336 2.939 3.391 1.00 2.68 H new ATOM 561 N ALA A 38 -3.628 4.096 5.897 1.00 0.78 N ATOM 562 CA ALA A 38 -3.867 5.081 6.946 1.00 0.90 C ATOM 563 C ALA A 38 -2.565 5.475 7.626 1.00 0.85 C ATOM 564 O ALA A 38 -1.726 4.614 7.880 1.00 0.93 O ATOM 565 CB ALA A 38 -4.827 4.531 8.002 1.00 0.94 C ATOM 0 H ALA A 38 -2.781 3.542 6.023 1.00 0.78 H new ATOM 0 HA ALA A 38 -4.310 5.957 6.473 1.00 0.90 H new ATOM 0 HB1 ALA A 38 -4.989 5.284 8.773 1.00 0.94 H new ATOM 0 HB2 ALA A 38 -5.779 4.280 7.533 1.00 0.94 H new ATOM 0 HB3 ALA A 38 -4.398 3.636 8.453 1.00 0.94 H new ATOM 571 N LEU A 39 -2.445 6.761 7.972 1.00 0.88 N ATOM 572 CA LEU A 39 -1.369 7.283 8.808 1.00 0.90 C ATOM 573 C LEU A 39 -1.717 7.086 10.277 1.00 0.74 C ATOM 574 O LEU A 39 -0.853 6.728 11.070 1.00 0.95 O ATOM 575 CB LEU A 39 -1.047 8.746 8.448 1.00 1.27 C ATOM 576 CG LEU A 39 -2.079 9.798 8.900 1.00 1.05 C ATOM 577 CD1 LEU A 39 -1.767 10.356 10.298 1.00 2.00 C ATOM 578 CD2 LEU A 39 -2.055 10.985 7.934 1.00 1.15 C ATOM 0 H LEU A 39 -3.106 7.477 7.672 1.00 0.88 H new ATOM 0 HA LEU A 39 -0.453 6.724 8.617 1.00 0.90 H new ATOM 0 HB2 LEU A 39 -0.082 9.002 8.885 1.00 1.27 H new ATOM 0 HB3 LEU A 39 -0.936 8.817 7.366 1.00 1.27 H new ATOM 0 HG LEU A 39 -3.049 9.300 8.916 1.00 1.05 H new ATOM 0 HD11 LEU A 39 -2.522 11.093 10.572 1.00 2.00 H new ATOM 0 HD12 LEU A 39 -1.773 9.543 11.024 1.00 2.00 H new ATOM 0 HD13 LEU A 39 -0.785 10.828 10.290 1.00 2.00 H new ATOM 0 HD21 LEU A 39 -2.785 11.729 8.254 1.00 1.15 H new ATOM 0 HD22 LEU A 39 -1.060 11.431 7.930 1.00 1.15 H new ATOM 0 HD23 LEU A 39 -2.303 10.642 6.930 1.00 1.15 H new ATOM 590 N ALA A 40 -2.995 7.265 10.630 1.00 0.84 N ATOM 591 CA ALA A 40 -3.472 7.162 12.006 1.00 1.02 C ATOM 592 C ALA A 40 -3.053 5.830 12.626 1.00 1.08 C ATOM 593 O ALA A 40 -2.730 5.765 13.808 1.00 1.42 O ATOM 594 CB ALA A 40 -4.995 7.318 12.032 1.00 1.45 C ATOM 0 H ALA A 40 -3.731 7.487 9.959 1.00 0.84 H new ATOM 0 HA ALA A 40 -3.023 7.959 12.598 1.00 1.02 H new ATOM 0 HB1 ALA A 40 -5.351 7.241 13.059 1.00 1.45 H new ATOM 0 HB2 ALA A 40 -5.268 8.292 11.625 1.00 1.45 H new ATOM 0 HB3 ALA A 40 -5.452 6.532 11.430 1.00 1.45 H new ATOM 600 N THR A 41 -3.050 4.782 11.799 1.00 1.01 N ATOM 601 CA THR A 41 -2.717 3.426 12.189 1.00 1.31 C ATOM 602 C THR A 41 -1.474 2.944 11.433 1.00 1.36 C ATOM 603 O THR A 41 -1.238 1.743 11.389 1.00 2.09 O ATOM 604 CB THR A 41 -3.960 2.561 11.902 1.00 1.73 C ATOM 605 OG1 THR A 41 -5.127 3.271 12.277 1.00 2.75 O ATOM 606 CG2 THR A 41 -3.964 1.205 12.611 1.00 1.90 C ATOM 0 H THR A 41 -3.288 4.865 10.811 1.00 1.01 H new ATOM 0 HA THR A 41 -2.466 3.359 13.248 1.00 1.31 H new ATOM 0 HB THR A 41 -3.937 2.355 10.832 1.00 1.73 H new ATOM 0 HG1 THR A 41 -5.917 2.722 12.093 1.00 2.75 H new ATOM 0 HG21 THR A 41 -4.874 0.662 12.354 1.00 1.90 H new ATOM 0 HG22 THR A 41 -3.095 0.627 12.296 1.00 1.90 H new ATOM 0 HG23 THR A 41 -3.926 1.358 13.690 1.00 1.90 H new ATOM 614 N ASN A 42 -0.706 3.870 10.835 1.00 0.88 N ATOM 615 CA ASN A 42 0.436 3.621 9.951 1.00 1.07 C ATOM 616 C ASN A 42 0.384 2.248 9.295 1.00 1.21 C ATOM 617 O ASN A 42 1.165 1.370 9.644 1.00 1.78 O ATOM 618 CB ASN A 42 1.759 3.851 10.695 1.00 1.31 C ATOM 619 CG ASN A 42 1.967 5.333 10.958 1.00 0.96 C ATOM 620 OD1 ASN A 42 2.040 5.774 12.100 1.00 1.67 O ATOM 621 ND2 ASN A 42 2.036 6.119 9.887 1.00 1.41 N ATOM 0 H ASN A 42 -0.878 4.867 10.965 1.00 0.88 H new ATOM 0 HA ASN A 42 0.376 4.343 9.136 1.00 1.07 H new ATOM 0 HB2 ASN A 42 1.753 3.305 11.638 1.00 1.31 H new ATOM 0 HB3 ASN A 42 2.588 3.460 10.105 1.00 1.31 H new ATOM 0 HD21 ASN A 42 2.154 7.126 10.000 1.00 1.41 H new ATOM 0 HD22 ASN A 42 1.971 5.715 8.953 1.00 1.41 H new ATOM 628 N LYS A 43 -0.544 2.059 8.357 1.00 0.82 N ATOM 629 CA LYS A 43 -0.807 0.756 7.767 1.00 0.90 C ATOM 630 C LYS A 43 -1.232 0.909 6.318 1.00 0.70 C ATOM 631 O LYS A 43 -1.613 2.004 5.890 1.00 0.63 O ATOM 632 CB LYS A 43 -1.858 -0.004 8.597 1.00 1.10 C ATOM 633 CG LYS A 43 -3.232 0.675 8.724 1.00 1.48 C ATOM 634 CD LYS A 43 -4.101 0.440 7.479 1.00 1.40 C ATOM 635 CE LYS A 43 -5.602 0.666 7.706 1.00 1.92 C ATOM 636 NZ LYS A 43 -6.369 0.104 6.577 1.00 2.87 N ATOM 0 H LYS A 43 -1.131 2.807 7.988 1.00 0.82 H new ATOM 0 HA LYS A 43 0.109 0.166 7.779 1.00 0.90 H new ATOM 0 HB2 LYS A 43 -2.001 -0.989 8.153 1.00 1.10 H new ATOM 0 HB3 LYS A 43 -1.458 -0.161 9.599 1.00 1.10 H new ATOM 0 HG2 LYS A 43 -3.747 0.291 9.605 1.00 1.48 H new ATOM 0 HG3 LYS A 43 -3.096 1.746 8.876 1.00 1.48 H new ATOM 0 HD2 LYS A 43 -3.762 1.103 6.683 1.00 1.40 H new ATOM 0 HD3 LYS A 43 -3.948 -0.581 7.130 1.00 1.40 H new ATOM 0 HE2 LYS A 43 -5.913 0.195 8.639 1.00 1.92 H new ATOM 0 HE3 LYS A 43 -5.808 1.732 7.803 1.00 1.92 H new ATOM 0 HZ1 LYS A 43 -7.041 0.815 6.226 1.00 2.87 H new ATOM 0 HZ2 LYS A 43 -5.716 -0.163 5.812 1.00 2.87 H new ATOM 0 HZ3 LYS A 43 -6.890 -0.737 6.896 1.00 2.87 H new ATOM 650 N ALA A 44 -1.229 -0.212 5.603 1.00 0.85 N ATOM 651 CA ALA A 44 -1.726 -0.344 4.249 1.00 0.66 C ATOM 652 C ALA A 44 -2.174 -1.776 4.015 1.00 0.69 C ATOM 653 O ALA A 44 -1.385 -2.609 3.583 1.00 0.91 O ATOM 654 CB ALA A 44 -0.666 0.070 3.235 1.00 0.77 C ATOM 0 H ALA A 44 -0.862 -1.089 5.974 1.00 0.85 H new ATOM 0 HA ALA A 44 -2.579 0.322 4.117 1.00 0.66 H new ATOM 0 HB1 ALA A 44 -1.065 -0.039 2.227 1.00 0.77 H new ATOM 0 HB2 ALA A 44 -0.387 1.110 3.405 1.00 0.77 H new ATOM 0 HB3 ALA A 44 0.213 -0.565 3.348 1.00 0.77 H new ATOM 660 N HIS A 45 -3.459 -2.045 4.240 1.00 0.65 N ATOM 661 CA HIS A 45 -4.054 -3.324 3.917 1.00 0.69 C ATOM 662 C HIS A 45 -4.282 -3.276 2.419 1.00 0.60 C ATOM 663 O HIS A 45 -5.150 -2.533 1.962 1.00 0.63 O ATOM 664 CB HIS A 45 -5.339 -3.477 4.742 1.00 0.80 C ATOM 665 CG HIS A 45 -6.058 -4.789 4.564 1.00 0.96 C ATOM 666 ND1 HIS A 45 -6.556 -5.584 5.573 1.00 1.34 N ATOM 667 CD2 HIS A 45 -6.453 -5.338 3.377 1.00 0.95 C ATOM 668 CE1 HIS A 45 -7.237 -6.589 4.995 1.00 1.51 C ATOM 669 NE2 HIS A 45 -7.207 -6.481 3.657 1.00 1.26 N ATOM 0 H HIS A 45 -4.110 -1.377 4.652 1.00 0.65 H new ATOM 0 HA HIS A 45 -3.441 -4.192 4.159 1.00 0.69 H new ATOM 0 HB2 HIS A 45 -5.092 -3.355 5.797 1.00 0.80 H new ATOM 0 HB3 HIS A 45 -6.020 -2.668 4.479 1.00 0.80 H new ATOM 0 HD1 HIS A 45 -6.431 -5.437 6.575 1.00 1.34 H new ATOM 0 HD2 HIS A 45 -6.223 -4.955 2.394 1.00 0.95 H new ATOM 0 HE1 HIS A 45 -7.741 -7.377 5.535 1.00 1.51 H new ATOM 677 N ILE A 46 -3.484 -4.039 1.670 1.00 0.66 N ATOM 678 CA ILE A 46 -3.699 -4.261 0.258 1.00 0.64 C ATOM 679 C ILE A 46 -4.110 -5.718 0.103 1.00 0.68 C ATOM 680 O ILE A 46 -3.412 -6.632 0.533 1.00 0.96 O ATOM 681 CB ILE A 46 -2.471 -3.940 -0.611 1.00 0.68 C ATOM 682 CG1 ILE A 46 -2.218 -2.439 -0.800 1.00 1.35 C ATOM 683 CG2 ILE A 46 -2.738 -4.469 -2.022 1.00 1.53 C ATOM 684 CD1 ILE A 46 -1.794 -1.728 0.475 1.00 1.58 C ATOM 0 H ILE A 46 -2.665 -4.521 2.040 1.00 0.66 H new ATOM 0 HA ILE A 46 -4.473 -3.580 -0.097 1.00 0.64 H new ATOM 0 HB ILE A 46 -1.617 -4.388 -0.103 1.00 0.68 H new ATOM 0 HG12 ILE A 46 -1.446 -2.302 -1.557 1.00 1.35 H new ATOM 0 HG13 ILE A 46 -3.125 -1.971 -1.182 1.00 1.35 H new ATOM 0 HG21 ILE A 46 -1.881 -4.254 -2.660 1.00 1.53 H new ATOM 0 HG22 ILE A 46 -2.899 -5.546 -1.982 1.00 1.53 H new ATOM 0 HG23 ILE A 46 -3.625 -3.984 -2.431 1.00 1.53 H new ATOM 0 HD11 ILE A 46 -1.633 -0.671 0.265 1.00 1.58 H new ATOM 0 HD12 ILE A 46 -2.575 -1.834 1.228 1.00 1.58 H new ATOM 0 HD13 ILE A 46 -0.869 -2.169 0.847 1.00 1.58 H new ATOM 696 N LYS A 47 -5.232 -5.916 -0.569 1.00 0.58 N ATOM 697 CA LYS A 47 -5.591 -7.180 -1.165 1.00 0.65 C ATOM 698 C LYS A 47 -5.064 -7.102 -2.597 1.00 0.56 C ATOM 699 O LYS A 47 -5.639 -6.355 -3.394 1.00 0.71 O ATOM 700 CB LYS A 47 -7.114 -7.259 -1.125 1.00 0.86 C ATOM 701 CG LYS A 47 -7.670 -7.472 0.290 1.00 0.91 C ATOM 702 CD LYS A 47 -7.956 -8.963 0.508 1.00 1.38 C ATOM 703 CE LYS A 47 -8.690 -9.197 1.836 1.00 1.45 C ATOM 704 NZ LYS A 47 -9.049 -10.618 2.018 1.00 2.32 N ATOM 0 H LYS A 47 -5.928 -5.185 -0.715 1.00 0.58 H new ATOM 0 HA LYS A 47 -5.185 -8.059 -0.665 1.00 0.65 H new ATOM 0 HB2 LYS A 47 -7.530 -6.340 -1.538 1.00 0.86 H new ATOM 0 HB3 LYS A 47 -7.446 -8.076 -1.766 1.00 0.86 H new ATOM 0 HG2 LYS A 47 -6.954 -7.116 1.031 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -8.583 -6.892 0.425 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -8.558 -9.345 -0.316 1.00 1.38 H new ATOM 0 HD3 LYS A 47 -7.019 -9.521 0.504 1.00 1.38 H new ATOM 0 HE2 LYS A 47 -8.059 -8.872 2.663 1.00 1.45 H new ATOM 0 HE3 LYS A 47 -9.593 -8.587 1.865 1.00 1.45 H new ATOM 0 HZ1 LYS A 47 -9.543 -10.738 2.925 1.00 2.32 H new ATOM 0 HZ2 LYS A 47 -9.672 -10.921 1.242 1.00 2.32 H new ATOM 0 HZ3 LYS A 47 -8.185 -11.197 2.015 1.00 2.32 H new ATOM 718 N TYR A 48 -3.956 -7.785 -2.910 1.00 0.70 N ATOM 719 CA TYR A 48 -3.428 -7.852 -4.269 1.00 0.73 C ATOM 720 C TYR A 48 -3.345 -9.303 -4.705 1.00 0.70 C ATOM 721 O TYR A 48 -2.842 -10.134 -3.956 1.00 1.08 O ATOM 722 CB TYR A 48 -2.066 -7.162 -4.419 1.00 0.86 C ATOM 723 CG TYR A 48 -0.871 -7.837 -3.759 1.00 0.91 C ATOM 724 CD1 TYR A 48 -0.191 -8.871 -4.434 1.00 1.75 C ATOM 725 CD2 TYR A 48 -0.347 -7.348 -2.548 1.00 1.74 C ATOM 726 CE1 TYR A 48 0.953 -9.458 -3.866 1.00 1.81 C ATOM 727 CE2 TYR A 48 0.860 -7.858 -2.045 1.00 1.99 C ATOM 728 CZ TYR A 48 1.461 -8.967 -2.656 1.00 1.36 C ATOM 729 OH TYR A 48 2.518 -9.581 -2.055 1.00 1.56 O ATOM 0 H TYR A 48 -3.405 -8.304 -2.227 1.00 0.70 H new ATOM 0 HA TYR A 48 -4.116 -7.307 -4.915 1.00 0.73 H new ATOM 0 HB2 TYR A 48 -1.853 -7.062 -5.483 1.00 0.86 H new ATOM 0 HB3 TYR A 48 -2.151 -6.153 -4.014 1.00 0.86 H new ATOM 0 HD1 TYR A 48 -0.551 -9.214 -5.393 1.00 1.75 H new ATOM 0 HD2 TYR A 48 -0.875 -6.578 -2.004 1.00 1.74 H new ATOM 0 HE1 TYR A 48 1.439 -10.286 -4.361 1.00 1.81 H new ATOM 0 HE2 TYR A 48 1.326 -7.396 -1.187 1.00 1.99 H new ATOM 0 HH TYR A 48 2.650 -10.467 -2.452 1.00 1.56 H new ATOM 739 N ASP A 49 -3.790 -9.611 -5.922 1.00 0.58 N ATOM 740 CA ASP A 49 -3.714 -10.979 -6.402 1.00 0.69 C ATOM 741 C ASP A 49 -2.244 -11.329 -6.721 1.00 0.77 C ATOM 742 O ASP A 49 -1.627 -10.650 -7.549 1.00 0.89 O ATOM 743 CB ASP A 49 -4.689 -11.176 -7.566 1.00 0.94 C ATOM 744 CG ASP A 49 -4.788 -12.645 -7.915 1.00 1.85 C ATOM 745 OD1 ASP A 49 -3.745 -13.328 -7.901 1.00 2.76 O ATOM 746 OD2 ASP A 49 -5.910 -13.150 -8.156 1.00 3.01 O ATOM 0 H ASP A 49 -4.198 -8.944 -6.577 1.00 0.58 H new ATOM 0 HA ASP A 49 -4.031 -11.686 -5.635 1.00 0.69 H new ATOM 0 HB2 ASP A 49 -5.672 -10.791 -7.297 1.00 0.94 H new ATOM 0 HB3 ASP A 49 -4.351 -10.609 -8.434 1.00 0.94 H new ATOM 751 N PRO A 50 -1.630 -12.315 -6.036 1.00 0.84 N ATOM 752 CA PRO A 50 -0.185 -12.483 -6.011 1.00 0.92 C ATOM 753 C PRO A 50 0.341 -13.220 -7.249 1.00 1.23 C ATOM 754 O PRO A 50 0.925 -14.297 -7.140 1.00 2.37 O ATOM 755 CB PRO A 50 0.095 -13.228 -4.701 1.00 0.98 C ATOM 756 CG PRO A 50 -1.131 -14.129 -4.570 1.00 1.05 C ATOM 757 CD PRO A 50 -2.253 -13.225 -5.083 1.00 0.91 C ATOM 0 HA PRO A 50 0.340 -11.528 -6.045 1.00 0.92 H new ATOM 0 HB2 PRO A 50 1.019 -13.804 -4.750 1.00 0.98 H new ATOM 0 HB3 PRO A 50 0.190 -12.545 -3.857 1.00 0.98 H new ATOM 0 HG2 PRO A 50 -1.035 -15.037 -5.166 1.00 1.05 H new ATOM 0 HG3 PRO A 50 -1.299 -14.441 -3.539 1.00 1.05 H new ATOM 0 HD2 PRO A 50 -3.039 -13.811 -5.559 1.00 0.91 H new ATOM 0 HD3 PRO A 50 -2.717 -12.675 -4.264 1.00 0.91 H new ATOM 765 N GLU A 51 0.185 -12.602 -8.419 1.00 0.75 N ATOM 766 CA GLU A 51 0.815 -13.022 -9.667 1.00 0.90 C ATOM 767 C GLU A 51 0.860 -11.834 -10.627 1.00 0.91 C ATOM 768 O GLU A 51 1.917 -11.453 -11.122 1.00 1.52 O ATOM 769 CB GLU A 51 0.122 -14.265 -10.257 1.00 1.14 C ATOM 770 CG GLU A 51 -1.404 -14.167 -10.441 1.00 1.89 C ATOM 771 CD GLU A 51 -2.045 -15.522 -10.730 1.00 2.04 C ATOM 772 OE1 GLU A 51 -1.292 -16.492 -10.949 1.00 2.40 O ATOM 773 OE2 GLU A 51 -3.296 -15.575 -10.701 1.00 2.95 O ATOM 0 H GLU A 51 -0.399 -11.773 -8.526 1.00 0.75 H new ATOM 0 HA GLU A 51 1.842 -13.334 -9.479 1.00 0.90 H new ATOM 0 HB2 GLU A 51 0.571 -14.480 -11.226 1.00 1.14 H new ATOM 0 HB3 GLU A 51 0.336 -15.116 -9.610 1.00 1.14 H new ATOM 0 HG2 GLU A 51 -1.849 -13.743 -9.541 1.00 1.89 H new ATOM 0 HG3 GLU A 51 -1.625 -13.482 -11.259 1.00 1.89 H new ATOM 780 N ILE A 52 -0.302 -11.218 -10.835 1.00 0.70 N ATOM 781 CA ILE A 52 -0.464 -9.980 -11.587 1.00 0.72 C ATOM 782 C ILE A 52 0.372 -8.844 -10.992 1.00 0.70 C ATOM 783 O ILE A 52 0.856 -7.985 -11.726 1.00 0.85 O ATOM 784 CB ILE A 52 -1.961 -9.620 -11.669 1.00 0.79 C ATOM 785 CG1 ILE A 52 -2.258 -8.269 -12.347 1.00 1.91 C ATOM 786 CG2 ILE A 52 -2.677 -9.689 -10.315 1.00 2.14 C ATOM 787 CD1 ILE A 52 -1.782 -8.221 -13.801 1.00 2.96 C ATOM 0 H ILE A 52 -1.184 -11.580 -10.472 1.00 0.70 H new ATOM 0 HA ILE A 52 -0.091 -10.130 -12.600 1.00 0.72 H new ATOM 0 HB ILE A 52 -2.366 -10.399 -12.315 1.00 0.79 H new ATOM 0 HG12 ILE A 52 -3.331 -8.078 -12.314 1.00 1.91 H new ATOM 0 HG13 ILE A 52 -1.775 -7.471 -11.784 1.00 1.91 H new ATOM 0 HG21 ILE A 52 -3.726 -9.424 -10.444 1.00 2.14 H new ATOM 0 HG22 ILE A 52 -2.605 -10.701 -9.916 1.00 2.14 H new ATOM 0 HG23 ILE A 52 -2.210 -8.991 -9.620 1.00 2.14 H new ATOM 0 HD11 ILE A 52 -2.017 -7.246 -14.229 1.00 2.96 H new ATOM 0 HD12 ILE A 52 -0.705 -8.383 -13.837 1.00 2.96 H new ATOM 0 HD13 ILE A 52 -2.285 -9.000 -14.374 1.00 2.96 H new ATOM 799 N ILE A 53 0.507 -8.817 -9.666 1.00 0.65 N ATOM 800 CA ILE A 53 1.200 -7.792 -8.921 1.00 0.67 C ATOM 801 C ILE A 53 1.979 -8.527 -7.830 1.00 0.77 C ATOM 802 O ILE A 53 1.458 -9.466 -7.227 1.00 1.33 O ATOM 803 CB ILE A 53 0.151 -6.812 -8.350 1.00 0.78 C ATOM 804 CG1 ILE A 53 -0.203 -5.657 -9.303 1.00 1.39 C ATOM 805 CG2 ILE A 53 0.560 -6.253 -6.993 1.00 0.95 C ATOM 806 CD1 ILE A 53 0.905 -4.617 -9.501 1.00 1.19 C ATOM 0 H ILE A 53 0.116 -9.544 -9.066 1.00 0.65 H new ATOM 0 HA ILE A 53 1.890 -7.201 -9.524 1.00 0.67 H new ATOM 0 HB ILE A 53 -0.747 -7.417 -8.227 1.00 0.78 H new ATOM 0 HG12 ILE A 53 -0.466 -6.075 -10.275 1.00 1.39 H new ATOM 0 HG13 ILE A 53 -1.091 -5.152 -8.923 1.00 1.39 H new ATOM 0 HG21 ILE A 53 -0.210 -5.570 -6.634 1.00 0.95 H new ATOM 0 HG22 ILE A 53 0.678 -7.072 -6.283 1.00 0.95 H new ATOM 0 HG23 ILE A 53 1.504 -5.717 -7.090 1.00 0.95 H new ATOM 0 HD11 ILE A 53 0.560 -3.844 -10.188 1.00 1.19 H new ATOM 0 HD12 ILE A 53 1.154 -4.164 -8.542 1.00 1.19 H new ATOM 0 HD13 ILE A 53 1.789 -5.102 -9.914 1.00 1.19 H new ATOM 818 N GLY A 54 3.211 -8.091 -7.579 1.00 0.73 N ATOM 819 CA GLY A 54 4.029 -8.491 -6.446 1.00 0.79 C ATOM 820 C GLY A 54 4.092 -7.364 -5.409 1.00 0.70 C ATOM 821 O GLY A 54 3.723 -6.223 -5.692 1.00 0.72 O ATOM 0 H GLY A 54 3.683 -7.422 -8.187 1.00 0.73 H new ATOM 0 HA2 GLY A 54 3.615 -9.391 -5.990 1.00 0.79 H new ATOM 0 HA3 GLY A 54 5.035 -8.739 -6.785 1.00 0.79 H new ATOM 825 N PRO A 55 4.594 -7.648 -4.198 1.00 0.76 N ATOM 826 CA PRO A 55 4.667 -6.661 -3.129 1.00 0.82 C ATOM 827 C PRO A 55 5.567 -5.496 -3.547 1.00 0.74 C ATOM 828 O PRO A 55 5.238 -4.332 -3.321 1.00 0.80 O ATOM 829 CB PRO A 55 5.208 -7.417 -1.911 1.00 1.01 C ATOM 830 CG PRO A 55 5.978 -8.597 -2.512 1.00 1.03 C ATOM 831 CD PRO A 55 5.238 -8.895 -3.818 1.00 0.92 C ATOM 0 HA PRO A 55 3.699 -6.216 -2.899 1.00 0.82 H new ATOM 0 HB2 PRO A 55 5.858 -6.784 -1.306 1.00 1.01 H new ATOM 0 HB3 PRO A 55 4.401 -7.757 -1.263 1.00 1.01 H new ATOM 0 HG2 PRO A 55 7.022 -8.341 -2.694 1.00 1.03 H new ATOM 0 HG3 PRO A 55 5.973 -9.459 -1.845 1.00 1.03 H new ATOM 0 HD2 PRO A 55 5.929 -9.231 -4.592 1.00 0.92 H new ATOM 0 HD3 PRO A 55 4.504 -9.689 -3.680 1.00 0.92 H new ATOM 839 N ARG A 56 6.696 -5.819 -4.188 1.00 0.68 N ATOM 840 CA ARG A 56 7.603 -4.838 -4.762 1.00 0.75 C ATOM 841 C ARG A 56 6.872 -3.822 -5.639 1.00 0.68 C ATOM 842 O ARG A 56 7.267 -2.665 -5.632 1.00 0.78 O ATOM 843 CB ARG A 56 8.738 -5.528 -5.532 1.00 0.93 C ATOM 844 CG ARG A 56 9.950 -5.815 -4.629 1.00 1.79 C ATOM 845 CD ARG A 56 11.155 -4.914 -4.952 1.00 2.53 C ATOM 846 NE ARG A 56 10.873 -3.464 -4.895 1.00 3.46 N ATOM 847 CZ ARG A 56 11.070 -2.661 -3.834 1.00 4.71 C ATOM 848 NH1 ARG A 56 11.236 -3.187 -2.618 1.00 5.47 N ATOM 849 NH2 ARG A 56 11.118 -1.338 -3.982 1.00 5.73 N ATOM 0 H ARG A 56 7.003 -6.783 -4.320 1.00 0.68 H new ATOM 0 HA ARG A 56 8.044 -4.280 -3.936 1.00 0.75 H new ATOM 0 HB2 ARG A 56 8.373 -6.463 -5.958 1.00 0.93 H new ATOM 0 HB3 ARG A 56 9.047 -4.898 -6.366 1.00 0.93 H new ATOM 0 HG2 ARG A 56 9.664 -5.673 -3.587 1.00 1.79 H new ATOM 0 HG3 ARG A 56 10.242 -6.859 -4.740 1.00 1.79 H new ATOM 0 HD2 ARG A 56 11.960 -5.142 -4.253 1.00 2.53 H new ATOM 0 HD3 ARG A 56 11.519 -5.161 -5.949 1.00 2.53 H new ATOM 0 HE ARG A 56 10.494 -3.033 -5.738 1.00 3.46 H new ATOM 0 HH11 ARG A 56 11.214 -4.199 -2.493 1.00 5.47 H new ATOM 0 HH12 ARG A 56 11.385 -2.577 -1.814 1.00 5.47 H new ATOM 0 HH21 ARG A 56 11.005 -0.924 -4.907 1.00 5.73 H new ATOM 0 HH22 ARG A 56 11.268 -0.739 -3.170 1.00 5.73 H new ATOM 863 N ASP A 57 5.832 -4.214 -6.380 1.00 0.60 N ATOM 864 CA ASP A 57 5.152 -3.299 -7.292 1.00 0.61 C ATOM 865 C ASP A 57 4.404 -2.233 -6.504 1.00 0.56 C ATOM 866 O ASP A 57 4.557 -1.039 -6.746 1.00 0.58 O ATOM 867 CB ASP A 57 4.217 -4.066 -8.230 1.00 0.67 C ATOM 868 CG ASP A 57 4.974 -5.092 -9.056 1.00 1.17 C ATOM 869 OD1 ASP A 57 6.019 -4.705 -9.622 1.00 2.02 O ATOM 870 OD2 ASP A 57 4.508 -6.252 -9.064 1.00 2.08 O ATOM 0 H ASP A 57 5.445 -5.158 -6.364 1.00 0.60 H new ATOM 0 HA ASP A 57 5.897 -2.799 -7.911 1.00 0.61 H new ATOM 0 HB2 ASP A 57 3.445 -4.566 -7.646 1.00 0.67 H new ATOM 0 HB3 ASP A 57 3.711 -3.365 -8.894 1.00 0.67 H new ATOM 875 N ILE A 58 3.617 -2.666 -5.522 1.00 0.53 N ATOM 876 CA ILE A 58 2.962 -1.754 -4.593 1.00 0.51 C ATOM 877 C ILE A 58 4.014 -0.843 -3.970 1.00 0.52 C ATOM 878 O ILE A 58 3.899 0.382 -4.028 1.00 0.54 O ATOM 879 CB ILE A 58 2.192 -2.572 -3.548 1.00 0.53 C ATOM 880 CG1 ILE A 58 0.960 -3.178 -4.221 1.00 0.55 C ATOM 881 CG2 ILE A 58 1.779 -1.753 -2.319 1.00 0.61 C ATOM 882 CD1 ILE A 58 0.621 -4.501 -3.549 1.00 0.68 C ATOM 0 H ILE A 58 3.418 -3.651 -5.350 1.00 0.53 H new ATOM 0 HA ILE A 58 2.240 -1.118 -5.105 1.00 0.51 H new ATOM 0 HB ILE A 58 2.858 -3.351 -3.177 1.00 0.53 H new ATOM 0 HG12 ILE A 58 0.116 -2.492 -4.147 1.00 0.55 H new ATOM 0 HG13 ILE A 58 1.151 -3.334 -5.283 1.00 0.55 H new ATOM 0 HG21 ILE A 58 1.239 -2.392 -1.621 1.00 0.61 H new ATOM 0 HG22 ILE A 58 2.669 -1.354 -1.832 1.00 0.61 H new ATOM 0 HG23 ILE A 58 1.135 -0.930 -2.630 1.00 0.61 H new ATOM 0 HD11 ILE A 58 -0.257 -4.937 -4.026 1.00 0.68 H new ATOM 0 HD12 ILE A 58 1.464 -5.185 -3.647 1.00 0.68 H new ATOM 0 HD13 ILE A 58 0.413 -4.330 -2.493 1.00 0.68 H new ATOM 894 N ILE A 59 5.062 -1.440 -3.399 1.00 0.54 N ATOM 895 CA ILE A 59 6.141 -0.691 -2.787 1.00 0.60 C ATOM 896 C ILE A 59 6.713 0.338 -3.773 1.00 0.62 C ATOM 897 O ILE A 59 6.883 1.489 -3.385 1.00 0.60 O ATOM 898 CB ILE A 59 7.169 -1.676 -2.216 1.00 0.66 C ATOM 899 CG1 ILE A 59 6.568 -2.409 -1.004 1.00 0.76 C ATOM 900 CG2 ILE A 59 8.451 -0.952 -1.813 1.00 0.77 C ATOM 901 CD1 ILE A 59 7.314 -3.710 -0.713 1.00 1.15 C ATOM 0 H ILE A 59 5.179 -2.452 -3.352 1.00 0.54 H new ATOM 0 HA ILE A 59 5.779 -0.098 -1.947 1.00 0.60 H new ATOM 0 HB ILE A 59 7.420 -2.403 -2.988 1.00 0.66 H new ATOM 0 HG12 ILE A 59 6.608 -1.761 -0.128 1.00 0.76 H new ATOM 0 HG13 ILE A 59 5.516 -2.625 -1.192 1.00 0.76 H new ATOM 0 HG21 ILE A 59 9.164 -1.672 -1.411 1.00 0.77 H new ATOM 0 HG22 ILE A 59 8.882 -0.463 -2.686 1.00 0.77 H new ATOM 0 HG23 ILE A 59 8.223 -0.204 -1.054 1.00 0.77 H new ATOM 0 HD11 ILE A 59 6.864 -4.203 0.149 1.00 1.15 H new ATOM 0 HD12 ILE A 59 7.251 -4.367 -1.580 1.00 1.15 H new ATOM 0 HD13 ILE A 59 8.360 -3.490 -0.500 1.00 1.15 H new ATOM 913 N HIS A 60 6.942 -0.027 -5.041 1.00 0.74 N ATOM 914 CA HIS A 60 7.388 0.915 -6.064 1.00 0.83 C ATOM 915 C HIS A 60 6.461 2.124 -6.127 1.00 0.70 C ATOM 916 O HIS A 60 6.942 3.241 -6.303 1.00 0.71 O ATOM 917 CB HIS A 60 7.509 0.274 -7.461 1.00 1.08 C ATOM 918 CG HIS A 60 8.520 -0.839 -7.579 1.00 1.21 C ATOM 919 ND1 HIS A 60 8.376 -2.011 -8.290 1.00 2.44 N ATOM 920 CD2 HIS A 60 9.756 -0.866 -6.996 1.00 1.76 C ATOM 921 CE1 HIS A 60 9.487 -2.741 -8.095 1.00 3.15 C ATOM 922 NE2 HIS A 60 10.354 -2.096 -7.291 1.00 2.84 N ATOM 0 H HIS A 60 6.823 -0.981 -5.381 1.00 0.74 H new ATOM 0 HA HIS A 60 8.387 1.236 -5.769 1.00 0.83 H new ATOM 0 HB2 HIS A 60 6.532 -0.114 -7.749 1.00 1.08 H new ATOM 0 HB3 HIS A 60 7.767 1.053 -8.178 1.00 1.08 H new ATOM 0 HD1 HIS A 60 7.573 -2.276 -8.860 1.00 2.44 H new ATOM 0 HD2 HIS A 60 10.196 -0.074 -6.408 1.00 1.76 H new ATOM 0 HE1 HIS A 60 9.662 -3.716 -8.526 1.00 3.15 H new ATOM 930 N THR A 61 5.147 1.941 -5.975 1.00 0.67 N ATOM 931 CA THR A 61 4.244 3.082 -6.011 1.00 0.71 C ATOM 932 C THR A 61 4.509 3.962 -4.787 1.00 0.60 C ATOM 933 O THR A 61 4.778 5.154 -4.933 1.00 0.67 O ATOM 934 CB THR A 61 2.776 2.643 -6.147 1.00 0.90 C ATOM 935 OG1 THR A 61 2.646 1.784 -7.262 1.00 1.08 O ATOM 936 CG2 THR A 61 1.877 3.863 -6.378 1.00 1.12 C ATOM 0 H THR A 61 4.698 1.037 -5.830 1.00 0.67 H new ATOM 0 HA THR A 61 4.439 3.680 -6.901 1.00 0.71 H new ATOM 0 HB THR A 61 2.479 2.133 -5.231 1.00 0.90 H new ATOM 0 HG1 THR A 61 1.709 1.516 -7.361 1.00 1.08 H new ATOM 0 HG21 THR A 61 0.841 3.539 -6.473 1.00 1.12 H new ATOM 0 HG22 THR A 61 1.968 4.547 -5.534 1.00 1.12 H new ATOM 0 HG23 THR A 61 2.183 4.372 -7.292 1.00 1.12 H new ATOM 944 N ILE A 62 4.475 3.373 -3.587 1.00 0.52 N ATOM 945 CA ILE A 62 4.724 4.086 -2.334 1.00 0.54 C ATOM 946 C ILE A 62 6.038 4.887 -2.427 1.00 0.54 C ATOM 947 O ILE A 62 6.048 6.096 -2.179 1.00 0.65 O ATOM 948 CB ILE A 62 4.674 3.091 -1.149 1.00 0.54 C ATOM 949 CG1 ILE A 62 3.231 2.716 -0.752 1.00 0.63 C ATOM 950 CG2 ILE A 62 5.323 3.661 0.120 1.00 0.67 C ATOM 951 CD1 ILE A 62 2.638 1.601 -1.602 1.00 1.32 C ATOM 0 H ILE A 62 4.272 2.382 -3.459 1.00 0.52 H new ATOM 0 HA ILE A 62 3.941 4.822 -2.152 1.00 0.54 H new ATOM 0 HB ILE A 62 5.218 2.218 -1.510 1.00 0.54 H new ATOM 0 HG12 ILE A 62 3.218 2.411 0.294 1.00 0.63 H new ATOM 0 HG13 ILE A 62 2.599 3.600 -0.834 1.00 0.63 H new ATOM 0 HG21 ILE A 62 5.262 2.925 0.922 1.00 0.67 H new ATOM 0 HG22 ILE A 62 6.369 3.895 -0.080 1.00 0.67 H new ATOM 0 HG23 ILE A 62 4.799 4.569 0.420 1.00 0.67 H new ATOM 0 HD11 ILE A 62 1.622 1.389 -1.267 1.00 1.32 H new ATOM 0 HD12 ILE A 62 2.619 1.911 -2.647 1.00 1.32 H new ATOM 0 HD13 ILE A 62 3.248 0.703 -1.501 1.00 1.32 H new ATOM 963 N GLU A 63 7.127 4.223 -2.826 1.00 0.51 N ATOM 964 CA GLU A 63 8.424 4.832 -3.086 1.00 0.67 C ATOM 965 C GLU A 63 8.290 5.976 -4.098 1.00 0.60 C ATOM 966 O GLU A 63 8.772 7.081 -3.858 1.00 0.72 O ATOM 967 CB GLU A 63 9.395 3.757 -3.611 1.00 0.90 C ATOM 968 CG GLU A 63 9.783 2.728 -2.535 1.00 0.90 C ATOM 969 CD GLU A 63 10.547 1.530 -3.099 1.00 1.07 C ATOM 970 OE1 GLU A 63 10.590 1.365 -4.338 1.00 2.35 O ATOM 971 OE2 GLU A 63 11.047 0.711 -2.293 1.00 1.62 O ATOM 0 H GLU A 63 7.124 3.215 -2.980 1.00 0.51 H new ATOM 0 HA GLU A 63 8.816 5.249 -2.159 1.00 0.67 H new ATOM 0 HB2 GLU A 63 8.936 3.240 -4.453 1.00 0.90 H new ATOM 0 HB3 GLU A 63 10.297 4.241 -3.987 1.00 0.90 H new ATOM 0 HG2 GLU A 63 10.395 3.217 -1.777 1.00 0.90 H new ATOM 0 HG3 GLU A 63 8.880 2.374 -2.037 1.00 0.90 H new ATOM 978 N SER A 64 7.651 5.705 -5.240 1.00 0.56 N ATOM 979 CA SER A 64 7.602 6.620 -6.373 1.00 0.61 C ATOM 980 C SER A 64 6.833 7.902 -6.067 1.00 0.57 C ATOM 981 O SER A 64 7.003 8.869 -6.809 1.00 0.78 O ATOM 982 CB SER A 64 7.021 5.935 -7.616 1.00 0.71 C ATOM 983 OG SER A 64 7.104 6.798 -8.738 1.00 1.43 O ATOM 0 H SER A 64 7.149 4.832 -5.401 1.00 0.56 H new ATOM 0 HA SER A 64 8.634 6.905 -6.577 1.00 0.61 H new ATOM 0 HB2 SER A 64 7.564 5.012 -7.818 1.00 0.71 H new ATOM 0 HB3 SER A 64 5.982 5.661 -7.436 1.00 0.71 H new ATOM 0 HG SER A 64 7.222 7.722 -8.432 1.00 1.43 H new ATOM 989 N LEU A 65 5.971 7.926 -5.045 1.00 0.60 N ATOM 990 CA LEU A 65 5.501 9.189 -4.508 1.00 0.86 C ATOM 991 C LEU A 65 6.648 9.837 -3.720 1.00 1.01 C ATOM 992 O LEU A 65 7.524 10.459 -4.314 1.00 1.50 O ATOM 993 CB LEU A 65 4.231 8.974 -3.674 1.00 1.12 C ATOM 994 CG LEU A 65 2.930 8.761 -4.468 1.00 1.33 C ATOM 995 CD1 LEU A 65 2.674 9.856 -5.507 1.00 2.84 C ATOM 996 CD2 LEU A 65 2.801 7.386 -5.121 1.00 1.54 C ATOM 0 H LEU A 65 5.595 7.096 -4.586 1.00 0.60 H new ATOM 0 HA LEU A 65 5.218 9.874 -5.307 1.00 0.86 H new ATOM 0 HB2 LEU A 65 4.386 8.109 -3.030 1.00 1.12 H new ATOM 0 HB3 LEU A 65 4.098 9.837 -3.022 1.00 1.12 H new ATOM 0 HG LEU A 65 2.158 8.821 -3.701 1.00 1.33 H new ATOM 0 HD11 LEU A 65 1.742 9.648 -6.033 1.00 2.84 H new ATOM 0 HD12 LEU A 65 2.601 10.822 -5.007 1.00 2.84 H new ATOM 0 HD13 LEU A 65 3.497 9.879 -6.222 1.00 2.84 H new ATOM 0 HD21 LEU A 65 1.855 7.326 -5.658 1.00 1.54 H new ATOM 0 HD22 LEU A 65 3.625 7.236 -5.819 1.00 1.54 H new ATOM 0 HD23 LEU A 65 2.831 6.614 -4.352 1.00 1.54 H new ATOM 1008 N GLY A 66 6.635 9.753 -2.388 1.00 0.96 N ATOM 1009 CA GLY A 66 7.747 10.219 -1.572 1.00 1.13 C ATOM 1010 C GLY A 66 7.706 9.567 -0.196 1.00 0.81 C ATOM 1011 O GLY A 66 7.957 10.236 0.805 1.00 0.94 O ATOM 0 H GLY A 66 5.859 9.363 -1.853 1.00 0.96 H new ATOM 0 HA2 GLY A 66 8.691 9.985 -2.064 1.00 1.13 H new ATOM 0 HA3 GLY A 66 7.702 11.303 -1.469 1.00 1.13 H new ATOM 1015 N PHE A 67 7.305 8.297 -0.134 1.00 0.59 N ATOM 1016 CA PHE A 67 6.868 7.659 1.100 1.00 0.48 C ATOM 1017 C PHE A 67 7.668 6.373 1.300 1.00 0.55 C ATOM 1018 O PHE A 67 8.158 5.803 0.328 1.00 0.85 O ATOM 1019 CB PHE A 67 5.365 7.385 0.986 1.00 0.56 C ATOM 1020 CG PHE A 67 4.513 8.579 0.582 1.00 0.64 C ATOM 1021 CD1 PHE A 67 4.754 9.853 1.130 1.00 2.30 C ATOM 1022 CD2 PHE A 67 3.476 8.415 -0.357 1.00 1.83 C ATOM 1023 CE1 PHE A 67 3.955 10.946 0.760 1.00 2.37 C ATOM 1024 CE2 PHE A 67 2.646 9.499 -0.688 1.00 1.79 C ATOM 1025 CZ PHE A 67 2.870 10.757 -0.108 1.00 0.80 C ATOM 0 H PHE A 67 7.275 7.681 -0.946 1.00 0.59 H new ATOM 0 HA PHE A 67 7.040 8.297 1.967 1.00 0.48 H new ATOM 0 HB2 PHE A 67 5.212 6.588 0.258 1.00 0.56 H new ATOM 0 HB3 PHE A 67 5.007 7.013 1.946 1.00 0.56 H new ATOM 0 HD1 PHE A 67 5.558 9.990 1.839 1.00 2.30 H new ATOM 0 HD2 PHE A 67 3.319 7.454 -0.824 1.00 1.83 H new ATOM 0 HE1 PHE A 67 4.176 11.931 1.143 1.00 2.37 H new ATOM 0 HE2 PHE A 67 1.835 9.364 -1.389 1.00 1.79 H new ATOM 0 HZ PHE A 67 2.207 11.580 -0.330 1.00 0.80 H new ATOM 1035 N GLU A 68 7.811 5.927 2.549 1.00 0.50 N ATOM 1036 CA GLU A 68 8.598 4.757 2.909 1.00 0.58 C ATOM 1037 C GLU A 68 7.641 3.639 3.340 1.00 0.60 C ATOM 1038 O GLU A 68 6.526 3.914 3.794 1.00 0.75 O ATOM 1039 CB GLU A 68 9.608 5.168 3.992 1.00 0.77 C ATOM 1040 CG GLU A 68 10.587 4.043 4.362 1.00 2.03 C ATOM 1041 CD GLU A 68 11.595 4.458 5.429 1.00 2.40 C ATOM 1042 OE1 GLU A 68 11.330 5.465 6.123 1.00 2.34 O ATOM 1043 OE2 GLU A 68 12.579 3.717 5.615 1.00 3.60 O ATOM 0 H GLU A 68 7.373 6.381 3.351 1.00 0.50 H new ATOM 0 HA GLU A 68 9.175 4.368 2.070 1.00 0.58 H new ATOM 0 HB2 GLU A 68 10.173 6.033 3.644 1.00 0.77 H new ATOM 0 HB3 GLU A 68 9.067 5.479 4.886 1.00 0.77 H new ATOM 0 HG2 GLU A 68 10.023 3.181 4.718 1.00 2.03 H new ATOM 0 HG3 GLU A 68 11.123 3.726 3.467 1.00 2.03 H new ATOM 1050 N ALA A 69 8.071 2.385 3.168 1.00 0.62 N ATOM 1051 CA ALA A 69 7.278 1.181 3.378 1.00 0.59 C ATOM 1052 C ALA A 69 8.019 0.214 4.300 1.00 0.67 C ATOM 1053 O ALA A 69 9.248 0.152 4.272 1.00 0.94 O ATOM 1054 CB ALA A 69 7.055 0.498 2.025 1.00 1.03 C ATOM 0 H ALA A 69 9.023 2.178 2.866 1.00 0.62 H new ATOM 0 HA ALA A 69 6.326 1.453 3.834 1.00 0.59 H new ATOM 0 HB1 ALA A 69 6.462 -0.406 2.167 1.00 1.03 H new ATOM 0 HB2 ALA A 69 6.526 1.178 1.357 1.00 1.03 H new ATOM 0 HB3 ALA A 69 8.018 0.235 1.587 1.00 1.03 H new ATOM 1060 N SER A 70 7.288 -0.570 5.098 1.00 0.63 N ATOM 1061 CA SER A 70 7.850 -1.617 5.941 1.00 0.84 C ATOM 1062 C SER A 70 6.803 -2.705 6.212 1.00 0.76 C ATOM 1063 O SER A 70 5.956 -2.547 7.086 1.00 0.96 O ATOM 1064 CB SER A 70 8.360 -1.011 7.257 1.00 1.07 C ATOM 1065 OG SER A 70 9.283 0.039 7.028 1.00 1.86 O ATOM 0 H SER A 70 6.274 -0.490 5.174 1.00 0.63 H new ATOM 0 HA SER A 70 8.690 -2.078 5.422 1.00 0.84 H new ATOM 0 HB2 SER A 70 7.516 -0.634 7.835 1.00 1.07 H new ATOM 0 HB3 SER A 70 8.835 -1.788 7.856 1.00 1.07 H new ATOM 0 HG SER A 70 9.585 0.402 7.887 1.00 1.86 H new ATOM 1071 N LEU A 71 6.856 -3.826 5.486 1.00 0.80 N ATOM 1072 CA LEU A 71 6.140 -5.041 5.876 1.00 0.78 C ATOM 1073 C LEU A 71 6.562 -5.404 7.305 1.00 0.94 C ATOM 1074 O LEU A 71 7.753 -5.520 7.578 1.00 1.60 O ATOM 1075 CB LEU A 71 6.536 -6.184 4.925 1.00 1.01 C ATOM 1076 CG LEU A 71 5.941 -6.036 3.514 1.00 2.13 C ATOM 1077 CD1 LEU A 71 6.901 -6.611 2.468 1.00 2.78 C ATOM 1078 CD2 LEU A 71 4.602 -6.777 3.417 1.00 3.33 C ATOM 0 H LEU A 71 7.390 -3.915 4.622 1.00 0.80 H new ATOM 0 HA LEU A 71 5.063 -4.884 5.826 1.00 0.78 H new ATOM 0 HB2 LEU A 71 7.623 -6.226 4.851 1.00 1.01 H new ATOM 0 HB3 LEU A 71 6.209 -7.132 5.352 1.00 1.01 H new ATOM 0 HG LEU A 71 5.785 -4.974 3.324 1.00 2.13 H new ATOM 0 HD11 LEU A 71 6.466 -6.499 1.475 1.00 2.78 H new ATOM 0 HD12 LEU A 71 7.849 -6.076 2.511 1.00 2.78 H new ATOM 0 HD13 LEU A 71 7.071 -7.668 2.673 1.00 2.78 H new ATOM 0 HD21 LEU A 71 4.195 -6.662 2.413 1.00 3.33 H new ATOM 0 HD22 LEU A 71 4.756 -7.835 3.628 1.00 3.33 H new ATOM 0 HD23 LEU A 71 3.902 -6.361 4.142 1.00 3.33 H new