USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 17 CYS SG : rot 153:sc= 1.28 USER MOD Set 1.2: A 48 THR OG1 : rot -100:sc= 1.4 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 3.6e-05 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -135:sc= -0.51 (180deg=-1.94!) USER MOD Single : A 54 SER OG : rot 89:sc= 0.0355 USER MOD Single : A 56 TYR OH : rot -92:sc= 0.0456 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -140:sc= -1.95 USER MOD Single : A 79 ASN : amide:sc= -2.11 K(o=-2.1,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.720 9.500 5.452 1.00 0.00 N ATOM 2 CA MET A 1 -10.201 10.457 4.434 1.00 0.00 C ATOM 3 C MET A 1 -8.691 10.287 4.297 1.00 0.00 C ATOM 4 O MET A 1 -7.974 10.162 5.289 1.00 0.00 O ATOM 5 CB MET A 1 -10.517 11.887 4.874 1.00 0.00 C ATOM 6 CG MET A 1 -10.559 12.797 3.646 1.00 0.00 C ATOM 7 SD MET A 1 -11.263 14.399 4.106 1.00 0.00 S ATOM 8 CE MET A 1 -12.957 14.060 3.570 1.00 0.00 C ATOM 0 H1 MET A 1 -11.578 9.892 5.891 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.948 8.595 4.993 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.997 9.345 6.183 1.00 0.00 H new ATOM 0 HA MET A 1 -10.675 10.259 3.473 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.474 11.916 5.395 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.761 12.239 5.576 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.554 12.931 3.245 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.157 12.337 2.860 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.581 14.932 3.763 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.963 13.838 2.503 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.349 13.205 4.121 1.00 0.00 H new ATOM 20 N ALA A 2 -8.216 10.283 3.053 1.00 0.00 N ATOM 21 CA ALA A 2 -6.787 10.125 2.794 1.00 0.00 C ATOM 22 C ALA A 2 -6.383 10.869 1.523 1.00 0.00 C ATOM 23 O ALA A 2 -7.079 10.820 0.510 1.00 0.00 O ATOM 24 CB ALA A 2 -6.433 8.646 2.634 1.00 0.00 C ATOM 0 H ALA A 2 -8.792 10.386 2.218 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.247 10.541 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.365 8.546 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.689 8.110 3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.993 8.226 1.798 1.00 0.00 H new ATOM 30 N THR A 3 -5.244 11.555 1.591 1.00 0.00 N ATOM 31 CA THR A 3 -4.745 12.306 0.439 1.00 0.00 C ATOM 32 C THR A 3 -3.650 11.521 -0.283 1.00 0.00 C ATOM 33 O THR A 3 -2.764 12.100 -0.911 1.00 0.00 O ATOM 34 CB THR A 3 -4.178 13.659 0.885 1.00 0.00 C ATOM 35 OG1 THR A 3 -4.785 14.048 2.110 1.00 0.00 O ATOM 36 CG2 THR A 3 -4.464 14.715 -0.185 1.00 0.00 C ATOM 0 H THR A 3 -4.654 11.607 2.421 1.00 0.00 H new ATOM 0 HA THR A 3 -5.581 12.468 -0.241 1.00 0.00 H new ATOM 0 HB THR A 3 -3.101 13.570 1.025 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.421 14.912 2.396 1.00 0.00 H new ATOM 0 HG21 THR A 3 -4.060 15.676 0.135 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.995 14.418 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.541 14.804 -0.329 1.00 0.00 H new ATOM 44 N LEU A 4 -3.723 10.195 -0.188 1.00 0.00 N ATOM 45 CA LEU A 4 -2.738 9.333 -0.837 1.00 0.00 C ATOM 46 C LEU A 4 -3.469 8.360 -1.778 1.00 0.00 C ATOM 47 O LEU A 4 -4.517 8.708 -2.324 1.00 0.00 O ATOM 48 CB LEU A 4 -1.917 8.561 0.222 1.00 0.00 C ATOM 49 CG LEU A 4 -1.278 9.507 1.265 1.00 0.00 C ATOM 50 CD1 LEU A 4 -0.596 10.702 0.584 1.00 0.00 C ATOM 51 CD2 LEU A 4 -2.346 10.009 2.242 1.00 0.00 C ATOM 0 H LEU A 4 -4.448 9.697 0.328 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.044 9.941 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.563 7.845 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.134 7.987 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.521 8.945 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.156 11.350 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.186 10.342 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.334 11.264 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.887 10.675 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.116 10.550 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.796 9.160 2.757 1.00 0.00 H new ATOM 63 N LEU A 5 -2.937 7.144 -1.974 1.00 0.00 N ATOM 64 CA LEU A 5 -3.601 6.185 -2.856 1.00 0.00 C ATOM 65 C LEU A 5 -4.606 5.360 -2.058 1.00 0.00 C ATOM 66 O LEU A 5 -4.835 5.610 -0.874 1.00 0.00 O ATOM 67 CB LEU A 5 -2.583 5.230 -3.512 1.00 0.00 C ATOM 68 CG LEU A 5 -2.370 5.569 -5.000 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.480 4.492 -5.628 1.00 0.00 C ATOM 70 CD2 LEU A 5 -3.706 5.599 -5.759 1.00 0.00 C ATOM 0 H LEU A 5 -2.073 6.812 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.109 6.748 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.632 5.292 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.934 4.202 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.906 6.553 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.321 4.720 -6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.519 4.468 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.965 3.520 -5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.524 5.841 -6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.186 4.623 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.357 6.355 -5.320 1.00 0.00 H new ATOM 82 N THR A 6 -5.207 4.378 -2.722 1.00 0.00 N ATOM 83 CA THR A 6 -6.189 3.527 -2.067 1.00 0.00 C ATOM 84 C THR A 6 -5.893 2.051 -2.318 1.00 0.00 C ATOM 85 O THR A 6 -5.314 1.670 -3.343 1.00 0.00 O ATOM 86 CB THR A 6 -7.594 3.844 -2.582 1.00 0.00 C ATOM 87 OG1 THR A 6 -7.691 5.234 -2.858 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.628 3.457 -1.524 1.00 0.00 C ATOM 0 H THR A 6 -5.033 4.155 -3.702 1.00 0.00 H new ATOM 0 HA THR A 6 -6.133 3.724 -0.996 1.00 0.00 H new ATOM 0 HB THR A 6 -7.784 3.278 -3.494 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.590 5.440 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.628 3.684 -1.893 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.552 2.390 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.442 4.021 -0.610 1.00 0.00 H new ATOM 96 N THR A 7 -6.321 1.220 -1.372 1.00 0.00 N ATOM 97 CA THR A 7 -6.131 -0.221 -1.486 1.00 0.00 C ATOM 98 C THR A 7 -6.847 -0.729 -2.729 1.00 0.00 C ATOM 99 O THR A 7 -6.338 -1.580 -3.455 1.00 0.00 O ATOM 100 CB THR A 7 -6.687 -0.926 -0.249 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.120 -0.346 0.920 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.333 -2.407 -0.310 1.00 0.00 C ATOM 0 H THR A 7 -6.799 1.519 -0.522 1.00 0.00 H new ATOM 0 HA THR A 7 -5.065 -0.435 -1.564 1.00 0.00 H new ATOM 0 HB THR A 7 -7.771 -0.814 -0.219 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.477 -0.796 1.714 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.728 -2.912 0.571 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.768 -2.848 -1.207 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.249 -2.521 -0.338 1.00 0.00 H new ATOM 110 N ASP A 8 -8.027 -0.170 -2.977 1.00 0.00 N ATOM 111 CA ASP A 8 -8.805 -0.542 -4.154 1.00 0.00 C ATOM 112 C ASP A 8 -7.995 -0.248 -5.415 1.00 0.00 C ATOM 113 O ASP A 8 -8.082 -0.966 -6.412 1.00 0.00 O ATOM 114 CB ASP A 8 -10.118 0.242 -4.206 1.00 0.00 C ATOM 115 CG ASP A 8 -11.136 -0.527 -5.041 1.00 0.00 C ATOM 116 OD1 ASP A 8 -10.983 -0.553 -6.251 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.054 -1.080 -4.458 1.00 0.00 O ATOM 0 H ASP A 8 -8.463 0.537 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.033 -1.606 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.502 0.397 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.948 1.228 -4.638 1.00 0.00 H new ATOM 122 N ASP A 9 -7.187 0.814 -5.347 1.00 0.00 N ATOM 123 CA ASP A 9 -6.339 1.196 -6.474 1.00 0.00 C ATOM 124 C ASP A 9 -5.372 0.063 -6.796 1.00 0.00 C ATOM 125 O ASP A 9 -5.194 -0.312 -7.956 1.00 0.00 O ATOM 126 CB ASP A 9 -5.527 2.462 -6.150 1.00 0.00 C ATOM 127 CG ASP A 9 -5.482 3.370 -7.374 1.00 0.00 C ATOM 128 OD1 ASP A 9 -4.621 3.161 -8.213 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.310 4.262 -7.457 1.00 0.00 O ATOM 0 H ASP A 9 -7.104 1.418 -4.530 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.985 1.398 -7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.978 2.990 -5.310 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.515 2.190 -5.849 1.00 0.00 H new ATOM 134 N LEU A 10 -4.748 -0.484 -5.750 1.00 0.00 N ATOM 135 CA LEU A 10 -3.799 -1.583 -5.939 1.00 0.00 C ATOM 136 C LEU A 10 -4.499 -2.778 -6.604 1.00 0.00 C ATOM 137 O LEU A 10 -3.900 -3.518 -7.384 1.00 0.00 O ATOM 138 CB LEU A 10 -3.142 -1.982 -4.585 1.00 0.00 C ATOM 139 CG LEU A 10 -3.876 -3.146 -3.886 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.247 -4.473 -4.319 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.760 -3.003 -2.368 1.00 0.00 C ATOM 0 H LEU A 10 -4.879 -0.191 -4.782 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.000 -1.251 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.104 -2.265 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.129 -1.116 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.929 -3.125 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.763 -5.298 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.336 -4.582 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.194 -4.485 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.281 -3.829 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.709 -3.019 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.207 -2.059 -2.056 1.00 0.00 H new ATOM 153 N ARG A 11 -5.775 -2.950 -6.265 1.00 0.00 N ATOM 154 CA ARG A 11 -6.565 -4.054 -6.806 1.00 0.00 C ATOM 155 C ARG A 11 -6.671 -3.959 -8.325 1.00 0.00 C ATOM 156 O ARG A 11 -6.402 -4.923 -9.038 1.00 0.00 O ATOM 157 CB ARG A 11 -7.974 -4.041 -6.201 1.00 0.00 C ATOM 158 CG ARG A 11 -8.422 -5.474 -5.900 1.00 0.00 C ATOM 159 CD ARG A 11 -9.091 -6.074 -7.137 1.00 0.00 C ATOM 160 NE ARG A 11 -9.887 -7.244 -6.774 1.00 0.00 N ATOM 161 CZ ARG A 11 -10.715 -7.808 -7.648 1.00 0.00 C ATOM 162 NH1 ARG A 11 -11.760 -7.152 -8.072 1.00 0.00 N ATOM 163 NH2 ARG A 11 -10.484 -9.017 -8.080 1.00 0.00 N ATOM 0 H ARG A 11 -6.282 -2.342 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.061 -4.985 -6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.982 -3.448 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.672 -3.569 -6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.564 -6.080 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.117 -5.480 -5.060 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.728 -5.327 -7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.332 -6.356 -7.867 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.806 -7.634 -5.835 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.941 -6.207 -7.733 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.396 -7.584 -8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.668 -9.530 -7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.120 -9.449 -8.751 1.00 0.00 H new ATOM 177 N ARG A 12 -7.077 -2.789 -8.812 1.00 0.00 N ATOM 178 CA ARG A 12 -7.227 -2.582 -10.252 1.00 0.00 C ATOM 179 C ARG A 12 -5.900 -2.800 -10.977 1.00 0.00 C ATOM 180 O ARG A 12 -5.868 -3.276 -12.111 1.00 0.00 O ATOM 181 CB ARG A 12 -7.722 -1.164 -10.539 1.00 0.00 C ATOM 182 CG ARG A 12 -8.364 -1.118 -11.927 1.00 0.00 C ATOM 183 CD ARG A 12 -8.560 0.339 -12.353 1.00 0.00 C ATOM 184 NE ARG A 12 -8.621 0.446 -13.808 1.00 0.00 N ATOM 185 CZ ARG A 12 -7.603 0.949 -14.501 1.00 0.00 C ATOM 186 NH1 ARG A 12 -6.584 0.194 -14.806 1.00 0.00 N ATOM 187 NH2 ARG A 12 -7.624 2.198 -14.876 1.00 0.00 N ATOM 0 H ARG A 12 -7.306 -1.977 -8.239 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.956 -3.306 -10.615 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.445 -0.860 -9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.891 -0.460 -10.487 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.733 -1.637 -12.648 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.323 -1.636 -11.913 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.478 0.731 -11.915 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.740 0.948 -11.972 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.457 0.130 -14.300 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.567 -0.783 -14.513 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.804 0.581 -15.337 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.421 2.789 -14.638 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.844 2.584 -15.407 1.00 0.00 H new ATOM 201 N ALA A 13 -4.808 -2.441 -10.311 1.00 0.00 N ATOM 202 CA ALA A 13 -3.481 -2.596 -10.903 1.00 0.00 C ATOM 203 C ALA A 13 -3.113 -4.072 -11.038 1.00 0.00 C ATOM 204 O ALA A 13 -2.366 -4.458 -11.936 1.00 0.00 O ATOM 205 CB ALA A 13 -2.428 -1.900 -10.039 1.00 0.00 C ATOM 0 H ALA A 13 -4.812 -2.045 -9.371 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.505 -2.141 -11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.445 -2.024 -10.493 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.662 -0.838 -9.965 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.426 -2.341 -9.042 1.00 0.00 H new ATOM 211 N LEU A 14 -3.637 -4.891 -10.129 1.00 0.00 N ATOM 212 CA LEU A 14 -3.347 -6.323 -10.153 1.00 0.00 C ATOM 213 C LEU A 14 -4.293 -7.070 -11.096 1.00 0.00 C ATOM 214 O LEU A 14 -3.987 -8.174 -11.547 1.00 0.00 O ATOM 215 CB LEU A 14 -3.478 -6.914 -8.747 1.00 0.00 C ATOM 216 CG LEU A 14 -2.159 -6.727 -7.991 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.447 -6.487 -6.508 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.300 -7.984 -8.147 1.00 0.00 C ATOM 0 H LEU A 14 -4.257 -4.593 -9.376 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.325 -6.443 -10.514 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.290 -6.425 -8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.728 -7.973 -8.808 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.626 -5.868 -8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.507 -6.354 -5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.058 -5.591 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.981 -7.344 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.361 -7.852 -7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.834 -8.842 -7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.092 -8.154 -9.203 1.00 0.00 H new ATOM 230 N VAL A 15 -5.444 -6.468 -11.392 1.00 0.00 N ATOM 231 CA VAL A 15 -6.415 -7.103 -12.281 1.00 0.00 C ATOM 232 C VAL A 15 -6.129 -6.758 -13.744 1.00 0.00 C ATOM 233 O VAL A 15 -6.542 -7.480 -14.651 1.00 0.00 O ATOM 234 CB VAL A 15 -7.840 -6.657 -11.933 1.00 0.00 C ATOM 235 CG1 VAL A 15 -8.844 -7.492 -12.735 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.092 -6.849 -10.428 1.00 0.00 C ATOM 0 H VAL A 15 -5.724 -5.555 -11.035 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.326 -8.181 -12.144 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.961 -5.603 -12.183 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.858 -7.177 -12.489 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.668 -7.348 -13.801 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.722 -8.546 -12.486 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.106 -6.531 -10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.970 -7.901 -10.170 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.379 -6.251 -9.860 1.00 0.00 H new ATOM 246 N GLU A 16 -5.425 -5.650 -13.969 1.00 0.00 N ATOM 247 CA GLU A 16 -5.102 -5.232 -15.332 1.00 0.00 C ATOM 248 C GLU A 16 -4.189 -6.254 -16.006 1.00 0.00 C ATOM 249 O GLU A 16 -4.257 -6.464 -17.216 1.00 0.00 O ATOM 250 CB GLU A 16 -4.401 -3.871 -15.323 1.00 0.00 C ATOM 251 CG GLU A 16 -4.621 -3.173 -16.667 1.00 0.00 C ATOM 252 CD GLU A 16 -3.564 -3.640 -17.662 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.408 -3.296 -17.475 1.00 0.00 O ATOM 254 OE2 GLU A 16 -3.925 -4.333 -18.599 1.00 0.00 O ATOM 0 H GLU A 16 -5.072 -5.033 -13.237 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.036 -5.158 -15.888 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.791 -3.255 -14.513 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.334 -4.001 -15.139 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.618 -3.398 -17.047 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.564 -2.092 -16.541 1.00 0.00 H new ATOM 261 N CYS A 17 -3.330 -6.883 -15.205 1.00 0.00 N ATOM 262 CA CYS A 17 -2.396 -7.880 -15.732 1.00 0.00 C ATOM 263 C CYS A 17 -2.982 -9.295 -15.676 1.00 0.00 C ATOM 264 O CYS A 17 -2.242 -10.278 -15.682 1.00 0.00 O ATOM 265 CB CYS A 17 -1.090 -7.858 -14.934 1.00 0.00 C ATOM 266 SG CYS A 17 0.036 -6.635 -15.647 1.00 0.00 S ATOM 0 H CYS A 17 -3.260 -6.724 -14.200 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.206 -7.621 -16.774 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.293 -7.615 -13.891 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.627 -8.845 -14.947 1.00 0.00 H new ATOM 0 HG CYS A 17 0.838 -6.194 -14.724 1.00 0.00 H new ATOM 272 N ALA A 18 -4.308 -9.396 -15.623 1.00 0.00 N ATOM 273 CA ALA A 18 -4.954 -10.705 -15.571 1.00 0.00 C ATOM 274 C ALA A 18 -6.332 -10.646 -16.226 1.00 0.00 C ATOM 275 O ALA A 18 -6.523 -11.128 -17.342 1.00 0.00 O ATOM 276 CB ALA A 18 -5.102 -11.173 -14.121 1.00 0.00 C ATOM 0 H ALA A 18 -4.947 -8.601 -15.615 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.328 -11.413 -16.114 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.585 -12.150 -14.101 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.117 -11.246 -13.660 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.709 -10.457 -13.568 1.00 0.00 H new ATOM 282 N GLY A 19 -7.292 -10.051 -15.519 1.00 0.00 N ATOM 283 CA GLY A 19 -8.650 -9.935 -16.044 1.00 0.00 C ATOM 284 C GLY A 19 -9.249 -11.313 -16.304 1.00 0.00 C ATOM 285 O GLY A 19 -9.445 -11.714 -17.452 1.00 0.00 O ATOM 0 H GLY A 19 -7.157 -9.647 -14.592 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.274 -9.390 -15.335 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.639 -9.358 -16.968 1.00 0.00 H new ATOM 289 N GLU A 20 -9.537 -12.036 -15.225 1.00 0.00 N ATOM 290 CA GLU A 20 -10.114 -13.373 -15.348 1.00 0.00 C ATOM 291 C GLU A 20 -11.195 -13.611 -14.293 1.00 0.00 C ATOM 292 O GLU A 20 -11.523 -14.753 -13.973 1.00 0.00 O ATOM 293 CB GLU A 20 -9.024 -14.430 -15.189 1.00 0.00 C ATOM 294 CG GLU A 20 -8.298 -14.227 -13.857 1.00 0.00 C ATOM 295 CD GLU A 20 -7.716 -15.555 -13.387 1.00 0.00 C ATOM 296 OE1 GLU A 20 -6.812 -16.048 -14.040 1.00 0.00 O ATOM 297 OE2 GLU A 20 -8.185 -16.061 -12.380 1.00 0.00 O ATOM 0 H GLU A 20 -9.383 -11.724 -14.266 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.566 -13.448 -16.337 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.463 -15.427 -15.227 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.315 -14.362 -16.014 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.503 -13.490 -13.973 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.989 -13.836 -13.110 1.00 0.00 H new ATOM 304 N THR A 21 -11.750 -12.524 -13.760 1.00 0.00 N ATOM 305 CA THR A 21 -12.799 -12.627 -12.745 1.00 0.00 C ATOM 306 C THR A 21 -13.197 -11.242 -12.255 1.00 0.00 C ATOM 307 O THR A 21 -12.378 -10.501 -11.712 1.00 0.00 O ATOM 308 CB THR A 21 -12.328 -13.456 -11.544 1.00 0.00 C ATOM 309 OG1 THR A 21 -13.282 -13.346 -10.492 1.00 0.00 O ATOM 310 CG2 THR A 21 -10.964 -12.952 -11.058 1.00 0.00 C ATOM 0 H THR A 21 -11.494 -11.569 -14.011 1.00 0.00 H new ATOM 0 HA THR A 21 -13.654 -13.120 -13.207 1.00 0.00 H new ATOM 0 HB THR A 21 -12.232 -14.499 -11.844 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.984 -13.876 -9.723 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.639 -13.548 -10.205 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.235 -13.043 -11.863 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.047 -11.907 -10.760 1.00 0.00 H new ATOM 318 N ASP A 22 -14.465 -10.905 -12.448 1.00 0.00 N ATOM 319 CA ASP A 22 -14.968 -9.606 -12.016 1.00 0.00 C ATOM 320 C ASP A 22 -15.878 -9.761 -10.800 1.00 0.00 C ATOM 321 O ASP A 22 -16.769 -8.943 -10.570 1.00 0.00 O ATOM 322 CB ASP A 22 -15.756 -8.935 -13.144 1.00 0.00 C ATOM 323 CG ASP A 22 -16.831 -9.888 -13.653 1.00 0.00 C ATOM 324 OD1 ASP A 22 -17.709 -10.230 -12.876 1.00 0.00 O ATOM 325 OD2 ASP A 22 -16.763 -10.263 -14.811 1.00 0.00 O ATOM 0 H ASP A 22 -15.158 -11.505 -12.896 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.111 -8.986 -11.751 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.213 -8.014 -12.784 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.084 -8.660 -13.957 1.00 0.00 H new ATOM 330 N GLY A 23 -15.648 -10.819 -10.021 1.00 0.00 N ATOM 331 CA GLY A 23 -16.465 -11.059 -8.831 1.00 0.00 C ATOM 332 C GLY A 23 -15.610 -11.381 -7.601 1.00 0.00 C ATOM 333 O GLY A 23 -16.145 -11.703 -6.541 1.00 0.00 O ATOM 0 H GLY A 23 -14.918 -11.511 -10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.076 -10.179 -8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.150 -11.885 -9.022 1.00 0.00 H new ATOM 337 N THR A 24 -14.283 -11.287 -7.739 1.00 0.00 N ATOM 338 CA THR A 24 -13.383 -11.573 -6.622 1.00 0.00 C ATOM 339 C THR A 24 -13.504 -13.032 -6.196 1.00 0.00 C ATOM 340 O THR A 24 -14.603 -13.555 -6.007 1.00 0.00 O ATOM 341 CB THR A 24 -13.704 -10.675 -5.425 1.00 0.00 C ATOM 342 OG1 THR A 24 -14.238 -9.442 -5.888 1.00 0.00 O ATOM 343 CG2 THR A 24 -12.428 -10.412 -4.625 1.00 0.00 C ATOM 0 H THR A 24 -13.814 -11.018 -8.604 1.00 0.00 H new ATOM 0 HA THR A 24 -12.365 -11.376 -6.957 1.00 0.00 H new ATOM 0 HB THR A 24 -14.435 -11.170 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 24 -14.445 -8.867 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.658 -9.772 -3.773 1.00 0.00 H new ATOM 0 HG22 THR A 24 -12.020 -11.358 -4.269 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.695 -9.918 -5.262 1.00 0.00 H new ATOM 351 N ASP A 25 -12.359 -13.686 -6.048 1.00 0.00 N ATOM 352 CA ASP A 25 -12.343 -15.090 -5.643 1.00 0.00 C ATOM 353 C ASP A 25 -11.127 -15.382 -4.768 1.00 0.00 C ATOM 354 O ASP A 25 -10.136 -15.956 -5.222 1.00 0.00 O ATOM 355 CB ASP A 25 -12.312 -16.003 -6.870 1.00 0.00 C ATOM 356 CG ASP A 25 -11.134 -15.619 -7.761 1.00 0.00 C ATOM 357 OD1 ASP A 25 -11.085 -14.476 -8.183 1.00 0.00 O ATOM 358 OD2 ASP A 25 -10.301 -16.475 -8.009 1.00 0.00 O ATOM 0 H ASP A 25 -11.438 -13.275 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.251 -15.285 -5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.223 -17.044 -6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.246 -15.915 -7.426 1.00 0.00 H new ATOM 363 N LEU A 26 -11.219 -14.985 -3.503 1.00 0.00 N ATOM 364 CA LEU A 26 -10.138 -15.205 -2.559 1.00 0.00 C ATOM 365 C LEU A 26 -10.721 -15.799 -1.270 1.00 0.00 C ATOM 366 O LEU A 26 -11.787 -16.415 -1.296 1.00 0.00 O ATOM 367 CB LEU A 26 -9.413 -13.878 -2.275 1.00 0.00 C ATOM 368 CG LEU A 26 -8.973 -13.241 -3.597 1.00 0.00 C ATOM 369 CD1 LEU A 26 -8.667 -11.760 -3.374 1.00 0.00 C ATOM 370 CD2 LEU A 26 -7.715 -13.949 -4.106 1.00 0.00 C ATOM 0 H LEU A 26 -12.032 -14.510 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.411 -15.902 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.073 -13.200 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.546 -14.054 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.772 -13.339 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.354 -11.307 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.561 -11.255 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.868 -11.660 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.399 -13.498 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.918 -13.848 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.931 -15.006 -4.265 1.00 0.00 H new ATOM 382 N SER A 27 -10.029 -15.620 -0.149 1.00 0.00 N ATOM 383 CA SER A 27 -10.512 -16.156 1.123 1.00 0.00 C ATOM 384 C SER A 27 -10.878 -15.026 2.083 1.00 0.00 C ATOM 385 O SER A 27 -12.051 -14.697 2.258 1.00 0.00 O ATOM 386 CB SER A 27 -9.451 -17.058 1.762 1.00 0.00 C ATOM 387 OG SER A 27 -9.404 -18.296 1.064 1.00 0.00 O ATOM 0 H SER A 27 -9.144 -15.116 -0.093 1.00 0.00 H new ATOM 0 HA SER A 27 -11.406 -16.747 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.476 -16.572 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.687 -17.228 2.812 1.00 0.00 H new ATOM 0 HG SER A 27 -8.725 -18.875 1.469 1.00 0.00 H new ATOM 393 N GLY A 28 -9.862 -14.440 2.697 1.00 0.00 N ATOM 394 CA GLY A 28 -10.077 -13.343 3.639 1.00 0.00 C ATOM 395 C GLY A 28 -10.410 -12.059 2.887 1.00 0.00 C ATOM 396 O GLY A 28 -11.283 -12.044 2.019 1.00 0.00 O ATOM 0 H GLY A 28 -8.885 -14.701 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.889 -13.594 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.184 -13.196 4.247 1.00 0.00 H new ATOM 400 N ASP A 29 -9.698 -10.984 3.218 1.00 0.00 N ATOM 401 CA ASP A 29 -9.925 -9.704 2.550 1.00 0.00 C ATOM 402 C ASP A 29 -9.647 -9.846 1.053 1.00 0.00 C ATOM 403 O ASP A 29 -10.571 -9.976 0.250 1.00 0.00 O ATOM 404 CB ASP A 29 -9.023 -8.617 3.142 1.00 0.00 C ATOM 405 CG ASP A 29 -9.615 -8.122 4.456 1.00 0.00 C ATOM 406 OD1 ASP A 29 -9.844 -8.944 5.328 1.00 0.00 O ATOM 407 OD2 ASP A 29 -9.832 -6.927 4.573 1.00 0.00 O ATOM 0 H ASP A 29 -8.970 -10.972 3.933 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.964 -9.413 2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.021 -9.013 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.926 -7.789 2.440 1.00 0.00 H new ATOM 412 N PHE A 30 -8.362 -9.855 0.690 1.00 0.00 N ATOM 413 CA PHE A 30 -7.974 -10.019 -0.712 1.00 0.00 C ATOM 414 C PHE A 30 -6.439 -9.996 -0.850 1.00 0.00 C ATOM 415 O PHE A 30 -5.872 -10.692 -1.691 1.00 0.00 O ATOM 416 CB PHE A 30 -8.668 -8.948 -1.611 1.00 0.00 C ATOM 417 CG PHE A 30 -7.755 -7.802 -2.004 1.00 0.00 C ATOM 418 CD1 PHE A 30 -6.899 -7.949 -3.101 1.00 0.00 C ATOM 419 CD2 PHE A 30 -7.778 -6.598 -1.292 1.00 0.00 C ATOM 420 CE1 PHE A 30 -6.068 -6.895 -3.486 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.947 -5.548 -1.676 1.00 0.00 C ATOM 422 CZ PHE A 30 -6.094 -5.693 -2.772 1.00 0.00 C ATOM 0 H PHE A 30 -7.582 -9.752 1.339 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.317 -10.993 -1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.041 -9.431 -2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.533 -8.548 -1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.881 -8.879 -3.650 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.439 -6.483 -0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.407 -7.008 -4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.963 -4.619 -1.125 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.453 -4.876 -3.069 1.00 0.00 H new ATOM 432 N LEU A 31 -5.783 -9.191 -0.014 1.00 0.00 N ATOM 433 CA LEU A 31 -4.325 -9.089 -0.044 1.00 0.00 C ATOM 434 C LEU A 31 -3.689 -10.390 0.476 1.00 0.00 C ATOM 435 O LEU A 31 -3.464 -11.317 -0.300 1.00 0.00 O ATOM 436 CB LEU A 31 -3.882 -7.875 0.779 1.00 0.00 C ATOM 437 CG LEU A 31 -4.480 -6.627 0.140 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.436 -5.458 1.122 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.686 -6.274 -1.115 1.00 0.00 C ATOM 0 H LEU A 31 -6.235 -8.604 0.687 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.987 -8.948 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.217 -7.972 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.794 -7.807 0.802 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.519 -6.823 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.866 -4.573 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.009 -5.711 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.402 -5.255 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.111 -5.382 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.647 -6.084 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.733 -7.103 -1.821 1.00 0.00 H new ATOM 451 N ASP A 32 -3.424 -10.465 1.793 1.00 0.00 N ATOM 452 CA ASP A 32 -2.835 -11.668 2.411 1.00 0.00 C ATOM 453 C ASP A 32 -1.754 -12.322 1.534 1.00 0.00 C ATOM 454 O ASP A 32 -1.789 -13.526 1.270 1.00 0.00 O ATOM 455 CB ASP A 32 -3.934 -12.696 2.699 1.00 0.00 C ATOM 456 CG ASP A 32 -4.616 -12.356 4.019 1.00 0.00 C ATOM 457 OD1 ASP A 32 -3.910 -12.080 4.975 1.00 0.00 O ATOM 458 OD2 ASP A 32 -5.835 -12.377 4.056 1.00 0.00 O ATOM 0 H ASP A 32 -3.608 -9.707 2.450 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.358 -11.344 3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.665 -12.699 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.506 -13.698 2.746 1.00 0.00 H new ATOM 463 N LEU A 33 -0.790 -11.519 1.087 1.00 0.00 N ATOM 464 CA LEU A 33 0.291 -12.041 0.246 1.00 0.00 C ATOM 465 C LEU A 33 -0.277 -12.649 -1.041 1.00 0.00 C ATOM 466 O LEU A 33 0.025 -13.786 -1.402 1.00 0.00 O ATOM 467 CB LEU A 33 1.086 -13.108 1.013 1.00 0.00 C ATOM 468 CG LEU A 33 2.297 -13.567 0.178 1.00 0.00 C ATOM 469 CD1 LEU A 33 3.591 -13.323 0.965 1.00 0.00 C ATOM 470 CD2 LEU A 33 2.168 -15.063 -0.138 1.00 0.00 C ATOM 0 H LEU A 33 -0.733 -10.521 1.287 1.00 0.00 H new ATOM 0 HA LEU A 33 0.954 -11.216 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.424 -12.705 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.444 -13.960 1.237 1.00 0.00 H new ATOM 0 HG LEU A 33 2.326 -12.999 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.445 -13.649 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.687 -12.260 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.561 -13.886 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.026 -15.385 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.134 -15.630 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.252 -15.238 -0.703 1.00 0.00 H new ATOM 482 N ARG A 34 -1.112 -11.873 -1.723 1.00 0.00 N ATOM 483 CA ARG A 34 -1.734 -12.329 -2.965 1.00 0.00 C ATOM 484 C ARG A 34 -0.705 -12.450 -4.092 1.00 0.00 C ATOM 485 O ARG A 34 -0.894 -13.213 -5.038 1.00 0.00 O ATOM 486 CB ARG A 34 -2.836 -11.346 -3.391 1.00 0.00 C ATOM 487 CG ARG A 34 -3.725 -11.952 -4.494 1.00 0.00 C ATOM 488 CD ARG A 34 -4.264 -13.338 -4.093 1.00 0.00 C ATOM 489 NE ARG A 34 -4.637 -13.381 -2.679 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.810 -14.540 -2.051 1.00 0.00 C ATOM 491 NH1 ARG A 34 -3.902 -15.473 -2.140 1.00 0.00 N ATOM 492 NH2 ARG A 34 -5.889 -14.745 -1.343 1.00 0.00 N ATOM 0 H ARG A 34 -1.374 -10.929 -1.440 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.164 -13.314 -2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.449 -11.086 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.384 -10.422 -3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.560 -11.282 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.152 -12.037 -5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.131 -13.584 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.507 -14.096 -4.294 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.766 -12.508 -2.167 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.059 -15.313 -2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.035 -16.362 -1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.599 -14.016 -1.272 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.022 -15.634 -0.861 1.00 0.00 H new ATOM 506 N PHE A 35 0.389 -11.690 -3.987 1.00 0.00 N ATOM 507 CA PHE A 35 1.435 -11.728 -5.013 1.00 0.00 C ATOM 508 C PHE A 35 1.984 -13.144 -5.171 1.00 0.00 C ATOM 509 O PHE A 35 1.962 -13.713 -6.262 1.00 0.00 O ATOM 510 CB PHE A 35 2.590 -10.786 -4.646 1.00 0.00 C ATOM 511 CG PHE A 35 2.393 -9.441 -5.314 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.178 -8.758 -5.170 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.429 -8.874 -6.072 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.002 -7.510 -5.780 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.246 -7.629 -6.680 1.00 0.00 C ATOM 516 CZ PHE A 35 2.036 -6.947 -6.534 1.00 0.00 C ATOM 0 H PHE A 35 0.572 -11.050 -3.214 1.00 0.00 H new ATOM 0 HA PHE A 35 0.987 -11.404 -5.953 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.638 -10.661 -3.564 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.539 -11.221 -4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.378 -9.194 -4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.366 -9.399 -6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.067 -6.982 -5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.043 -7.193 -7.264 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.899 -5.984 -7.004 1.00 0.00 H new ATOM 526 N GLU A 36 2.482 -13.703 -4.071 1.00 0.00 N ATOM 527 CA GLU A 36 3.040 -15.053 -4.099 1.00 0.00 C ATOM 528 C GLU A 36 1.941 -16.092 -3.881 1.00 0.00 C ATOM 529 O GLU A 36 1.855 -16.724 -2.826 1.00 0.00 O ATOM 530 CB GLU A 36 4.112 -15.211 -3.018 1.00 0.00 C ATOM 531 CG GLU A 36 5.355 -14.410 -3.410 1.00 0.00 C ATOM 532 CD GLU A 36 5.991 -15.031 -4.649 1.00 0.00 C ATOM 533 OE1 GLU A 36 6.471 -16.149 -4.548 1.00 0.00 O ATOM 534 OE2 GLU A 36 5.991 -14.379 -5.681 1.00 0.00 O ATOM 0 H GLU A 36 2.511 -13.248 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 36 3.492 -15.212 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.730 -14.863 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.368 -16.263 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.085 -13.373 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.070 -14.401 -2.587 1.00 0.00 H new ATOM 541 N ASP A 37 1.101 -16.262 -4.898 1.00 0.00 N ATOM 542 CA ASP A 37 0.009 -17.226 -4.826 1.00 0.00 C ATOM 543 C ASP A 37 -0.019 -18.075 -6.092 1.00 0.00 C ATOM 544 O ASP A 37 -0.091 -19.302 -6.035 1.00 0.00 O ATOM 545 CB ASP A 37 -1.333 -16.507 -4.677 1.00 0.00 C ATOM 546 CG ASP A 37 -2.426 -17.525 -4.373 1.00 0.00 C ATOM 547 OD1 ASP A 37 -2.619 -17.827 -3.206 1.00 0.00 O ATOM 548 OD2 ASP A 37 -3.055 -17.989 -5.310 1.00 0.00 O ATOM 0 H ASP A 37 1.155 -15.747 -5.777 1.00 0.00 H new ATOM 0 HA ASP A 37 0.172 -17.864 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.275 -15.770 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.571 -15.965 -5.592 1.00 0.00 H new ATOM 553 N ILE A 38 0.048 -17.401 -7.236 1.00 0.00 N ATOM 554 CA ILE A 38 0.039 -18.092 -8.521 1.00 0.00 C ATOM 555 C ILE A 38 1.469 -18.413 -8.961 1.00 0.00 C ATOM 556 O ILE A 38 1.719 -19.405 -9.646 1.00 0.00 O ATOM 557 CB ILE A 38 -0.656 -17.229 -9.587 1.00 0.00 C ATOM 558 CG1 ILE A 38 0.137 -15.940 -9.842 1.00 0.00 C ATOM 559 CG2 ILE A 38 -2.050 -16.849 -9.090 1.00 0.00 C ATOM 560 CD1 ILE A 38 -0.418 -15.239 -11.083 1.00 0.00 C ATOM 0 H ILE A 38 0.109 -16.385 -7.300 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.513 -19.025 -8.408 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.717 -17.802 -10.513 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.068 -15.280 -8.977 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.193 -16.171 -9.983 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.550 -16.237 -9.841 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.632 -17.753 -8.913 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.964 -16.286 -8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.144 -14.323 -11.266 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.326 -15.899 -11.945 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.468 -14.994 -10.924 1.00 0.00 H new ATOM 572 N GLY A 39 2.400 -17.551 -8.559 1.00 0.00 N ATOM 573 CA GLY A 39 3.804 -17.732 -8.912 1.00 0.00 C ATOM 574 C GLY A 39 4.378 -16.441 -9.489 1.00 0.00 C ATOM 575 O GLY A 39 5.060 -16.451 -10.512 1.00 0.00 O ATOM 0 H GLY A 39 2.208 -16.725 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.372 -18.028 -8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.902 -18.538 -9.639 1.00 0.00 H new ATOM 579 N TYR A 40 4.090 -15.327 -8.817 1.00 0.00 N ATOM 580 CA TYR A 40 4.580 -14.029 -9.269 1.00 0.00 C ATOM 581 C TYR A 40 6.102 -13.981 -9.198 1.00 0.00 C ATOM 582 O TYR A 40 6.719 -14.634 -8.358 1.00 0.00 O ATOM 583 CB TYR A 40 4.006 -12.904 -8.401 1.00 0.00 C ATOM 584 CG TYR A 40 2.708 -12.412 -8.997 1.00 0.00 C ATOM 585 CD1 TYR A 40 1.554 -13.206 -8.929 1.00 0.00 C ATOM 586 CD2 TYR A 40 2.658 -11.158 -9.616 1.00 0.00 C ATOM 587 CE1 TYR A 40 0.354 -12.743 -9.482 1.00 0.00 C ATOM 588 CE2 TYR A 40 1.457 -10.697 -10.168 1.00 0.00 C ATOM 589 CZ TYR A 40 0.306 -11.489 -10.101 1.00 0.00 C ATOM 590 OH TYR A 40 -0.878 -11.034 -10.646 1.00 0.00 O ATOM 0 H TYR A 40 3.526 -15.298 -7.967 1.00 0.00 H new ATOM 0 HA TYR A 40 4.258 -13.890 -10.301 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.838 -13.265 -7.386 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.720 -12.083 -8.333 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.591 -14.174 -8.451 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.546 -10.546 -9.668 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.535 -13.354 -9.431 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.419 -9.729 -10.646 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.739 -10.146 -11.036 1.00 0.00 H new ATOM 600 N ASP A 41 6.698 -13.194 -10.088 1.00 0.00 N ATOM 601 CA ASP A 41 8.157 -13.059 -10.117 1.00 0.00 C ATOM 602 C ASP A 41 8.566 -11.657 -9.666 1.00 0.00 C ATOM 603 O ASP A 41 8.963 -11.455 -8.519 1.00 0.00 O ATOM 604 CB ASP A 41 8.746 -13.343 -11.518 1.00 0.00 C ATOM 605 CG ASP A 41 7.728 -13.049 -12.625 1.00 0.00 C ATOM 606 OD1 ASP A 41 6.704 -13.712 -12.652 1.00 0.00 O ATOM 607 OD2 ASP A 41 7.992 -12.167 -13.426 1.00 0.00 O ATOM 0 H ASP A 41 6.204 -12.645 -10.792 1.00 0.00 H new ATOM 0 HA ASP A 41 8.560 -13.804 -9.431 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.637 -12.733 -11.670 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.059 -14.385 -11.578 1.00 0.00 H new ATOM 612 N SER A 42 8.461 -10.686 -10.576 1.00 0.00 N ATOM 613 CA SER A 42 8.821 -9.299 -10.258 1.00 0.00 C ATOM 614 C SER A 42 8.800 -8.441 -11.518 1.00 0.00 C ATOM 615 O SER A 42 8.440 -7.268 -11.478 1.00 0.00 O ATOM 616 CB SER A 42 10.221 -9.218 -9.638 1.00 0.00 C ATOM 617 OG SER A 42 11.116 -10.021 -10.396 1.00 0.00 O ATOM 0 H SER A 42 8.133 -10.830 -11.531 1.00 0.00 H new ATOM 0 HA SER A 42 8.087 -8.930 -9.541 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.566 -8.184 -9.623 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.194 -9.560 -8.603 1.00 0.00 H new ATOM 0 HG SER A 42 12.013 -9.971 -10.004 1.00 0.00 H new ATOM 623 N LEU A 43 9.200 -9.040 -12.635 1.00 0.00 N ATOM 624 CA LEU A 43 9.232 -8.320 -13.907 1.00 0.00 C ATOM 625 C LEU A 43 7.820 -7.924 -14.347 1.00 0.00 C ATOM 626 O LEU A 43 7.633 -6.933 -15.053 1.00 0.00 O ATOM 627 CB LEU A 43 9.876 -9.195 -14.996 1.00 0.00 C ATOM 628 CG LEU A 43 10.953 -8.404 -15.757 1.00 0.00 C ATOM 629 CD1 LEU A 43 10.327 -7.168 -16.412 1.00 0.00 C ATOM 630 CD2 LEU A 43 12.063 -7.971 -14.789 1.00 0.00 C ATOM 0 H LEU A 43 9.504 -10.012 -12.688 1.00 0.00 H new ATOM 0 HA LEU A 43 9.824 -7.416 -13.766 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.320 -10.081 -14.543 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.112 -9.541 -15.692 1.00 0.00 H new ATOM 0 HG LEU A 43 11.381 -9.041 -16.531 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.096 -6.612 -16.949 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.550 -7.480 -17.110 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.889 -6.531 -15.643 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.823 -7.411 -15.334 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.639 -7.341 -14.007 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.517 -8.853 -14.337 1.00 0.00 H new ATOM 642 N ALA A 44 6.831 -8.713 -13.932 1.00 0.00 N ATOM 643 CA ALA A 44 5.444 -8.438 -14.303 1.00 0.00 C ATOM 644 C ALA A 44 4.880 -7.269 -13.498 1.00 0.00 C ATOM 645 O ALA A 44 4.548 -6.221 -14.051 1.00 0.00 O ATOM 646 CB ALA A 44 4.574 -9.672 -14.061 1.00 0.00 C ATOM 0 H ALA A 44 6.961 -9.538 -13.346 1.00 0.00 H new ATOM 0 HA ALA A 44 5.432 -8.179 -15.362 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.544 -9.452 -14.342 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.945 -10.502 -14.662 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.612 -9.943 -13.006 1.00 0.00 H new ATOM 652 N LEU A 45 4.763 -7.465 -12.187 1.00 0.00 N ATOM 653 CA LEU A 45 4.221 -6.425 -11.311 1.00 0.00 C ATOM 654 C LEU A 45 5.021 -5.123 -11.419 1.00 0.00 C ATOM 655 O LEU A 45 4.509 -4.042 -11.123 1.00 0.00 O ATOM 656 CB LEU A 45 4.222 -6.898 -9.851 1.00 0.00 C ATOM 657 CG LEU A 45 5.607 -7.451 -9.470 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.287 -6.503 -8.483 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.452 -8.827 -8.812 1.00 0.00 C ATOM 0 H LEU A 45 5.033 -8.325 -11.710 1.00 0.00 H new ATOM 0 HA LEU A 45 3.198 -6.232 -11.634 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.960 -6.069 -9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.464 -7.669 -9.711 1.00 0.00 H new ATOM 0 HG LEU A 45 6.213 -7.540 -10.372 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.267 -6.898 -8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.404 -5.522 -8.943 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.675 -6.412 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.435 -9.215 -8.544 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.841 -8.734 -7.914 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.970 -9.512 -9.510 1.00 0.00 H new ATOM 671 N MET A 46 6.278 -5.231 -11.845 1.00 0.00 N ATOM 672 CA MET A 46 7.126 -4.048 -11.981 1.00 0.00 C ATOM 673 C MET A 46 6.742 -3.250 -13.225 1.00 0.00 C ATOM 674 O MET A 46 6.762 -2.020 -13.220 1.00 0.00 O ATOM 675 CB MET A 46 8.601 -4.451 -12.080 1.00 0.00 C ATOM 676 CG MET A 46 9.484 -3.199 -12.044 1.00 0.00 C ATOM 677 SD MET A 46 9.910 -2.810 -10.329 1.00 0.00 S ATOM 678 CE MET A 46 8.659 -1.526 -10.072 1.00 0.00 C ATOM 0 H MET A 46 6.727 -6.111 -12.099 1.00 0.00 H new ATOM 0 HA MET A 46 6.978 -3.429 -11.096 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.862 -5.115 -11.256 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.775 -5.004 -13.003 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.390 -3.363 -12.627 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.960 -2.358 -12.499 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.113 -0.671 -9.570 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.258 -1.211 -11.035 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.852 -1.922 -9.455 1.00 0.00 H new ATOM 688 N GLU A 47 6.393 -3.964 -14.293 1.00 0.00 N ATOM 689 CA GLU A 47 6.009 -3.309 -15.542 1.00 0.00 C ATOM 690 C GLU A 47 4.772 -2.441 -15.334 1.00 0.00 C ATOM 691 O GLU A 47 4.729 -1.283 -15.748 1.00 0.00 O ATOM 692 CB GLU A 47 5.712 -4.349 -16.624 1.00 0.00 C ATOM 693 CG GLU A 47 5.989 -3.746 -18.002 1.00 0.00 C ATOM 694 CD GLU A 47 5.953 -4.847 -19.057 1.00 0.00 C ATOM 695 OE1 GLU A 47 6.747 -5.767 -18.953 1.00 0.00 O ATOM 696 OE2 GLU A 47 5.131 -4.752 -19.955 1.00 0.00 O ATOM 0 H GLU A 47 6.368 -4.983 -14.320 1.00 0.00 H new ATOM 0 HA GLU A 47 6.842 -2.682 -15.860 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.330 -5.234 -16.472 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.673 -4.671 -16.558 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.246 -2.983 -18.232 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.962 -3.255 -18.007 1.00 0.00 H new ATOM 703 N THR A 48 3.762 -3.017 -14.685 1.00 0.00 N ATOM 704 CA THR A 48 2.520 -2.294 -14.423 1.00 0.00 C ATOM 705 C THR A 48 2.790 -1.061 -13.565 1.00 0.00 C ATOM 706 O THR A 48 2.408 0.056 -13.918 1.00 0.00 O ATOM 707 CB THR A 48 1.522 -3.196 -13.695 1.00 0.00 C ATOM 708 OG1 THR A 48 1.489 -4.468 -14.326 1.00 0.00 O ATOM 709 CG2 THR A 48 0.129 -2.564 -13.742 1.00 0.00 C ATOM 0 H THR A 48 3.779 -3.974 -14.334 1.00 0.00 H new ATOM 0 HA THR A 48 2.102 -1.985 -15.381 1.00 0.00 H new ATOM 0 HB THR A 48 1.829 -3.313 -12.656 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.706 -4.522 -14.913 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.581 -3.208 -13.223 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.156 -1.588 -13.257 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.182 -2.445 -14.780 1.00 0.00 H new ATOM 717 N ALA A 49 3.454 -1.277 -12.433 1.00 0.00 N ATOM 718 CA ALA A 49 3.774 -0.178 -11.523 1.00 0.00 C ATOM 719 C ALA A 49 4.606 0.897 -12.229 1.00 0.00 C ATOM 720 O ALA A 49 4.634 2.052 -11.805 1.00 0.00 O ATOM 721 CB ALA A 49 4.557 -0.697 -10.316 1.00 0.00 C ATOM 0 H ALA A 49 3.779 -2.193 -12.125 1.00 0.00 H new ATOM 0 HA ALA A 49 2.832 0.260 -11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.788 0.133 -9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.958 -1.436 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.484 -1.159 -10.655 1.00 0.00 H new ATOM 727 N ALA A 50 5.287 0.508 -13.307 1.00 0.00 N ATOM 728 CA ALA A 50 6.116 1.451 -14.054 1.00 0.00 C ATOM 729 C ALA A 50 5.249 2.433 -14.839 1.00 0.00 C ATOM 730 O ALA A 50 5.446 3.646 -14.772 1.00 0.00 O ATOM 731 CB ALA A 50 7.025 0.703 -15.031 1.00 0.00 C ATOM 0 H ALA A 50 5.281 -0.442 -13.678 1.00 0.00 H new ATOM 0 HA ALA A 50 6.722 2.002 -13.335 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.636 1.419 -15.580 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.672 0.022 -14.478 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.415 0.134 -15.732 1.00 0.00 H new ATOM 737 N ARG A 51 4.289 1.893 -15.589 1.00 0.00 N ATOM 738 CA ARG A 51 3.399 2.732 -16.393 1.00 0.00 C ATOM 739 C ARG A 51 2.638 3.719 -15.508 1.00 0.00 C ATOM 740 O ARG A 51 2.460 4.884 -15.865 1.00 0.00 O ATOM 741 CB ARG A 51 2.392 1.867 -17.154 1.00 0.00 C ATOM 742 CG ARG A 51 3.025 1.376 -18.458 1.00 0.00 C ATOM 743 CD ARG A 51 3.083 2.526 -19.466 1.00 0.00 C ATOM 744 NE ARG A 51 4.238 2.379 -20.350 1.00 0.00 N ATOM 745 CZ ARG A 51 4.991 3.427 -20.675 1.00 0.00 C ATOM 746 NH1 ARG A 51 5.740 3.997 -19.772 1.00 0.00 N ATOM 747 NH2 ARG A 51 4.979 3.883 -21.897 1.00 0.00 N ATOM 0 H ARG A 51 4.108 0.891 -15.657 1.00 0.00 H new ATOM 0 HA ARG A 51 4.015 3.286 -17.102 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.090 1.018 -16.541 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.491 2.442 -17.368 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.029 0.996 -18.266 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.444 0.549 -18.867 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.167 2.546 -20.056 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.142 3.477 -18.937 1.00 0.00 H new ATOM 0 HE ARG A 51 4.470 1.459 -20.724 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.749 3.639 -18.817 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.317 4.800 -20.021 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.393 3.436 -22.602 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.556 4.686 -22.147 1.00 0.00 H new ATOM 761 N LEU A 52 2.190 3.240 -14.351 1.00 0.00 N ATOM 762 CA LEU A 52 1.448 4.090 -13.422 1.00 0.00 C ATOM 763 C LEU A 52 2.388 5.034 -12.666 1.00 0.00 C ATOM 764 O LEU A 52 1.958 6.058 -12.137 1.00 0.00 O ATOM 765 CB LEU A 52 0.686 3.235 -12.407 1.00 0.00 C ATOM 766 CG LEU A 52 -0.648 2.793 -13.011 1.00 0.00 C ATOM 767 CD1 LEU A 52 -1.007 1.399 -12.494 1.00 0.00 C ATOM 768 CD2 LEU A 52 -1.743 3.783 -12.608 1.00 0.00 C ATOM 0 H LEU A 52 2.325 2.279 -14.036 1.00 0.00 H new ATOM 0 HA LEU A 52 0.745 4.681 -14.010 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.279 2.363 -12.132 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.513 3.804 -11.493 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.563 2.766 -14.097 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.958 1.085 -12.925 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.228 0.693 -12.781 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.092 1.425 -11.408 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.694 3.469 -13.038 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.827 3.810 -11.522 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.489 4.777 -12.977 1.00 0.00 H new ATOM 780 N GLU A 53 3.674 4.680 -12.615 1.00 0.00 N ATOM 781 CA GLU A 53 4.659 5.506 -11.915 1.00 0.00 C ATOM 782 C GLU A 53 4.653 6.947 -12.432 1.00 0.00 C ATOM 783 O GLU A 53 5.064 7.870 -11.730 1.00 0.00 O ATOM 784 CB GLU A 53 6.063 4.921 -12.093 1.00 0.00 C ATOM 785 CG GLU A 53 6.993 5.466 -11.003 1.00 0.00 C ATOM 786 CD GLU A 53 7.847 6.595 -11.572 1.00 0.00 C ATOM 787 OE1 GLU A 53 8.810 6.294 -12.258 1.00 0.00 O ATOM 788 OE2 GLU A 53 7.528 7.743 -11.312 1.00 0.00 O ATOM 0 H GLU A 53 4.054 3.837 -13.045 1.00 0.00 H new ATOM 0 HA GLU A 53 4.387 5.512 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.023 3.833 -12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.452 5.178 -13.078 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.406 5.831 -10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.633 4.668 -10.625 1.00 0.00 H new ATOM 795 N SER A 54 4.186 7.133 -13.666 1.00 0.00 N ATOM 796 CA SER A 54 4.138 8.468 -14.257 1.00 0.00 C ATOM 797 C SER A 54 3.063 9.319 -13.587 1.00 0.00 C ATOM 798 O SER A 54 3.274 10.497 -13.298 1.00 0.00 O ATOM 799 CB SER A 54 3.837 8.380 -15.753 1.00 0.00 C ATOM 800 OG SER A 54 4.585 7.314 -16.320 1.00 0.00 O ATOM 0 H SER A 54 3.840 6.386 -14.269 1.00 0.00 H new ATOM 0 HA SER A 54 5.112 8.932 -14.105 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.771 8.217 -15.912 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.092 9.320 -16.243 1.00 0.00 H new ATOM 0 HG SER A 54 4.069 6.483 -16.258 1.00 0.00 H new ATOM 806 N ARG A 55 1.904 8.711 -13.350 1.00 0.00 N ATOM 807 CA ARG A 55 0.791 9.423 -12.722 1.00 0.00 C ATOM 808 C ARG A 55 1.185 9.944 -11.338 1.00 0.00 C ATOM 809 O ARG A 55 1.351 11.147 -11.137 1.00 0.00 O ATOM 810 CB ARG A 55 -0.428 8.497 -12.596 1.00 0.00 C ATOM 811 CG ARG A 55 -1.614 9.265 -12.002 1.00 0.00 C ATOM 812 CD ARG A 55 -2.922 8.619 -12.461 1.00 0.00 C ATOM 813 NE ARG A 55 -4.045 9.101 -11.662 1.00 0.00 N ATOM 814 CZ ARG A 55 -4.777 10.136 -12.064 1.00 0.00 C ATOM 815 NH1 ARG A 55 -4.312 11.350 -11.942 1.00 0.00 N ATOM 816 NH2 ARG A 55 -5.957 9.938 -12.582 1.00 0.00 N ATOM 0 H ARG A 55 1.710 7.736 -13.580 1.00 0.00 H new ATOM 0 HA ARG A 55 0.536 10.273 -13.354 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.696 8.100 -13.575 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.183 7.644 -11.963 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.556 9.260 -10.914 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.581 10.308 -12.318 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.095 8.845 -13.513 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.847 7.535 -12.375 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.271 8.637 -10.782 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.388 11.504 -11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.873 12.144 -12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.319 8.989 -12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.518 10.732 -12.890 1.00 0.00 H new ATOM 830 N TYR A 56 1.322 9.027 -10.384 1.00 0.00 N ATOM 831 CA TYR A 56 1.682 9.405 -9.016 1.00 0.00 C ATOM 832 C TYR A 56 3.030 10.128 -8.984 1.00 0.00 C ATOM 833 O TYR A 56 3.303 10.910 -8.074 1.00 0.00 O ATOM 834 CB TYR A 56 1.757 8.169 -8.110 1.00 0.00 C ATOM 835 CG TYR A 56 0.533 7.302 -8.317 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.731 7.764 -7.927 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.664 6.039 -8.906 1.00 0.00 C ATOM 838 CE1 TYR A 56 -1.861 6.962 -8.126 1.00 0.00 C ATOM 839 CE2 TYR A 56 -0.466 5.237 -9.104 1.00 0.00 C ATOM 840 CZ TYR A 56 -1.729 5.698 -8.715 1.00 0.00 C ATOM 841 OH TYR A 56 -2.844 4.909 -8.911 1.00 0.00 O ATOM 0 H TYR A 56 1.191 8.026 -10.528 1.00 0.00 H new ATOM 0 HA TYR A 56 0.905 10.076 -8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.659 7.599 -8.332 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.823 8.476 -7.066 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.833 8.739 -7.473 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.638 5.683 -9.208 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.835 7.318 -7.825 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.363 4.262 -9.557 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.970 4.322 -8.136 1.00 0.00 H new ATOM 851 N GLY A 57 3.871 9.858 -9.981 1.00 0.00 N ATOM 852 CA GLY A 57 5.186 10.493 -10.043 1.00 0.00 C ATOM 853 C GLY A 57 6.033 10.109 -8.833 1.00 0.00 C ATOM 854 O GLY A 57 6.896 10.869 -8.395 1.00 0.00 O ATOM 0 H GLY A 57 3.670 9.214 -10.746 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.696 10.194 -10.959 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.070 11.576 -10.082 1.00 0.00 H new ATOM 858 N VAL A 58 5.776 8.918 -8.296 1.00 0.00 N ATOM 859 CA VAL A 58 6.514 8.436 -7.138 1.00 0.00 C ATOM 860 C VAL A 58 7.795 7.732 -7.585 1.00 0.00 C ATOM 861 O VAL A 58 7.923 7.315 -8.736 1.00 0.00 O ATOM 862 CB VAL A 58 5.636 7.469 -6.328 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.245 6.260 -7.190 1.00 0.00 C ATOM 864 CG2 VAL A 58 6.394 6.991 -5.088 1.00 0.00 C ATOM 0 H VAL A 58 5.066 8.274 -8.644 1.00 0.00 H new ATOM 0 HA VAL A 58 6.783 9.285 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 58 4.732 7.993 -6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.623 5.582 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.689 6.600 -8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.145 5.738 -7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.765 6.306 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.305 6.478 -5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.652 7.848 -4.466 1.00 0.00 H new ATOM 874 N SER A 59 8.739 7.605 -6.656 1.00 0.00 N ATOM 875 CA SER A 59 10.009 6.947 -6.957 1.00 0.00 C ATOM 876 C SER A 59 9.770 5.506 -7.396 1.00 0.00 C ATOM 877 O SER A 59 8.667 4.976 -7.259 1.00 0.00 O ATOM 878 CB SER A 59 10.918 6.950 -5.727 1.00 0.00 C ATOM 879 OG SER A 59 11.316 8.284 -5.441 1.00 0.00 O ATOM 0 H SER A 59 8.651 7.945 -5.698 1.00 0.00 H new ATOM 0 HA SER A 59 10.491 7.498 -7.765 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.394 6.523 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.794 6.327 -5.907 1.00 0.00 H new ATOM 0 HG SER A 59 11.897 8.290 -4.652 1.00 0.00 H new ATOM 885 N ILE A 60 10.813 4.880 -7.932 1.00 0.00 N ATOM 886 CA ILE A 60 10.700 3.501 -8.394 1.00 0.00 C ATOM 887 C ILE A 60 11.872 2.656 -7.861 1.00 0.00 C ATOM 888 O ILE A 60 12.933 2.589 -8.482 1.00 0.00 O ATOM 889 CB ILE A 60 10.665 3.463 -9.932 1.00 0.00 C ATOM 890 CG1 ILE A 60 10.521 2.016 -10.418 1.00 0.00 C ATOM 891 CG2 ILE A 60 11.947 4.071 -10.505 1.00 0.00 C ATOM 892 CD1 ILE A 60 9.759 2.000 -11.745 1.00 0.00 C ATOM 0 H ILE A 60 11.735 5.299 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 60 9.772 3.078 -8.011 1.00 0.00 H new ATOM 0 HB ILE A 60 9.810 4.045 -10.276 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.505 1.564 -10.545 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.991 1.422 -9.674 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.910 4.038 -11.594 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.037 5.106 -10.176 1.00 0.00 H new ATOM 0 HG23 ILE A 60 12.808 3.502 -10.154 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.655 0.972 -12.093 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.770 2.436 -11.602 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.308 2.580 -12.487 1.00 0.00 H new ATOM 904 N PRO A 61 11.700 1.994 -6.703 1.00 0.00 N ATOM 905 CA PRO A 61 12.769 1.159 -6.124 1.00 0.00 C ATOM 906 C PRO A 61 12.836 -0.220 -6.775 1.00 0.00 C ATOM 907 O PRO A 61 11.820 -0.770 -7.201 1.00 0.00 O ATOM 908 CB PRO A 61 12.349 1.052 -4.665 1.00 0.00 C ATOM 909 CG PRO A 61 10.844 1.290 -4.614 1.00 0.00 C ATOM 910 CD PRO A 61 10.454 2.026 -5.901 1.00 0.00 C ATOM 0 HA PRO A 61 13.763 1.582 -6.269 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.598 0.070 -4.264 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.876 1.787 -4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.308 0.344 -4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.578 1.881 -3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.632 1.529 -6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.132 3.047 -5.698 1.00 0.00 H new ATOM 918 N ASP A 62 14.043 -0.765 -6.858 1.00 0.00 N ATOM 919 CA ASP A 62 14.235 -2.076 -7.473 1.00 0.00 C ATOM 920 C ASP A 62 14.364 -3.176 -6.418 1.00 0.00 C ATOM 921 O ASP A 62 14.121 -4.348 -6.700 1.00 0.00 O ATOM 922 CB ASP A 62 15.493 -2.074 -8.342 1.00 0.00 C ATOM 923 CG ASP A 62 15.163 -1.498 -9.714 1.00 0.00 C ATOM 924 OD1 ASP A 62 14.529 -0.457 -9.761 1.00 0.00 O ATOM 925 OD2 ASP A 62 15.548 -2.107 -10.699 1.00 0.00 O ATOM 0 H ASP A 62 14.897 -0.327 -6.512 1.00 0.00 H new ATOM 0 HA ASP A 62 13.357 -2.279 -8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 62 16.275 -1.483 -7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.878 -3.088 -8.445 1.00 0.00 H new ATOM 930 N ASP A 63 14.760 -2.797 -5.204 1.00 0.00 N ATOM 931 CA ASP A 63 14.927 -3.780 -4.134 1.00 0.00 C ATOM 932 C ASP A 63 13.576 -4.220 -3.572 1.00 0.00 C ATOM 933 O ASP A 63 13.126 -5.340 -3.808 1.00 0.00 O ATOM 934 CB ASP A 63 15.772 -3.198 -2.998 1.00 0.00 C ATOM 935 CG ASP A 63 17.202 -2.989 -3.483 1.00 0.00 C ATOM 936 OD1 ASP A 63 17.425 -2.043 -4.220 1.00 0.00 O ATOM 937 OD2 ASP A 63 18.054 -3.779 -3.110 1.00 0.00 O ATOM 0 H ASP A 63 14.968 -1.834 -4.939 1.00 0.00 H new ATOM 0 HA ASP A 63 15.432 -4.646 -4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.348 -2.251 -2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.762 -3.872 -2.141 1.00 0.00 H new ATOM 942 N VAL A 64 12.942 -3.329 -2.813 1.00 0.00 N ATOM 943 CA VAL A 64 11.650 -3.639 -2.204 1.00 0.00 C ATOM 944 C VAL A 64 10.603 -3.963 -3.273 1.00 0.00 C ATOM 945 O VAL A 64 9.835 -4.914 -3.139 1.00 0.00 O ATOM 946 CB VAL A 64 11.171 -2.456 -1.344 1.00 0.00 C ATOM 947 CG1 VAL A 64 10.964 -1.217 -2.219 1.00 0.00 C ATOM 948 CG2 VAL A 64 9.853 -2.816 -0.647 1.00 0.00 C ATOM 0 H VAL A 64 13.297 -2.395 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 64 11.777 -4.516 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 64 11.931 -2.240 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.625 -0.387 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.905 -0.950 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.214 -1.431 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.520 -1.974 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.096 -3.045 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.005 -3.686 -0.008 1.00 0.00 H new ATOM 958 N ALA A 65 10.578 -3.155 -4.326 1.00 0.00 N ATOM 959 CA ALA A 65 9.613 -3.361 -5.405 1.00 0.00 C ATOM 960 C ALA A 65 9.940 -4.624 -6.195 1.00 0.00 C ATOM 961 O ALA A 65 9.063 -5.437 -6.483 1.00 0.00 O ATOM 962 CB ALA A 65 9.611 -2.162 -6.357 1.00 0.00 C ATOM 0 H ALA A 65 11.204 -2.361 -4.458 1.00 0.00 H new ATOM 0 HA ALA A 65 8.628 -3.469 -4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.887 -2.332 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.340 -1.261 -5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.604 -2.039 -6.789 1.00 0.00 H new ATOM 968 N GLY A 66 11.212 -4.775 -6.551 1.00 0.00 N ATOM 969 CA GLY A 66 11.645 -5.939 -7.318 1.00 0.00 C ATOM 970 C GLY A 66 11.399 -7.241 -6.556 1.00 0.00 C ATOM 971 O GLY A 66 11.329 -8.315 -7.153 1.00 0.00 O ATOM 0 H GLY A 66 11.955 -4.114 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.112 -5.967 -8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.706 -5.848 -7.550 1.00 0.00 H new ATOM 975 N ARG A 67 11.280 -7.146 -5.232 1.00 0.00 N ATOM 976 CA ARG A 67 11.056 -8.338 -4.416 1.00 0.00 C ATOM 977 C ARG A 67 9.793 -8.196 -3.565 1.00 0.00 C ATOM 978 O ARG A 67 9.756 -8.625 -2.410 1.00 0.00 O ATOM 979 CB ARG A 67 12.256 -8.585 -3.499 1.00 0.00 C ATOM 980 CG ARG A 67 13.397 -9.210 -4.306 1.00 0.00 C ATOM 981 CD ARG A 67 14.438 -9.793 -3.350 1.00 0.00 C ATOM 982 NE ARG A 67 15.175 -10.880 -3.989 1.00 0.00 N ATOM 983 CZ ARG A 67 16.473 -11.055 -3.756 1.00 0.00 C ATOM 984 NH1 ARG A 67 16.940 -10.929 -2.544 1.00 0.00 N ATOM 985 NH2 ARG A 67 17.279 -11.350 -4.738 1.00 0.00 N ATOM 0 H ARG A 67 11.334 -6.272 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 67 10.930 -9.183 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.584 -7.647 -3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.971 -9.246 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.009 -9.992 -4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.857 -8.458 -4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.131 -9.011 -3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.946 -10.161 -2.449 1.00 0.00 H new ATOM 0 HE ARG A 67 14.688 -11.514 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.310 -10.697 -1.776 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.935 -11.063 -2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.914 -11.447 -5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.274 -11.484 -4.558 1.00 0.00 H new ATOM 999 N VAL A 68 8.754 -7.602 -4.147 1.00 0.00 N ATOM 1000 CA VAL A 68 7.496 -7.428 -3.423 1.00 0.00 C ATOM 1001 C VAL A 68 6.694 -8.732 -3.451 1.00 0.00 C ATOM 1002 O VAL A 68 6.002 -9.041 -4.421 1.00 0.00 O ATOM 1003 CB VAL A 68 6.670 -6.277 -4.029 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.332 -6.575 -5.494 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.368 -6.092 -3.234 1.00 0.00 C ATOM 0 H VAL A 68 8.755 -7.239 -5.100 1.00 0.00 H new ATOM 0 HA VAL A 68 7.723 -7.173 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 68 7.262 -5.363 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.748 -5.752 -5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.254 -6.688 -6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.753 -7.497 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.789 -5.277 -3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.784 -7.012 -3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.605 -5.856 -2.197 1.00 0.00 H new ATOM 1015 N ASP A 69 6.806 -9.501 -2.370 1.00 0.00 N ATOM 1016 CA ASP A 69 6.098 -10.778 -2.274 1.00 0.00 C ATOM 1017 C ASP A 69 4.677 -10.600 -1.727 1.00 0.00 C ATOM 1018 O ASP A 69 3.985 -11.582 -1.456 1.00 0.00 O ATOM 1019 CB ASP A 69 6.861 -11.737 -1.360 1.00 0.00 C ATOM 1020 CG ASP A 69 8.081 -12.280 -2.096 1.00 0.00 C ATOM 1021 OD1 ASP A 69 8.980 -11.500 -2.364 1.00 0.00 O ATOM 1022 OD2 ASP A 69 8.097 -13.465 -2.382 1.00 0.00 O ATOM 0 H ASP A 69 7.374 -9.267 -1.556 1.00 0.00 H new ATOM 0 HA ASP A 69 6.035 -11.188 -3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.171 -11.221 -0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.212 -12.558 -1.054 1.00 0.00 H new ATOM 1027 N THR A 70 4.240 -9.350 -1.564 1.00 0.00 N ATOM 1028 CA THR A 70 2.898 -9.088 -1.051 1.00 0.00 C ATOM 1029 C THR A 70 2.265 -7.911 -1.799 1.00 0.00 C ATOM 1030 O THR A 70 2.974 -7.038 -2.294 1.00 0.00 O ATOM 1031 CB THR A 70 2.950 -8.761 0.442 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.145 -8.049 0.728 1.00 0.00 O ATOM 1033 CG2 THR A 70 2.920 -10.057 1.253 1.00 0.00 C ATOM 0 H THR A 70 4.787 -8.516 -1.777 1.00 0.00 H new ATOM 0 HA THR A 70 2.296 -9.984 -1.203 1.00 0.00 H new ATOM 0 HB THR A 70 2.089 -8.149 0.709 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.516 -8.361 1.580 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.957 -9.822 2.317 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.002 -10.602 1.034 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.780 -10.672 0.987 1.00 0.00 H new ATOM 1041 N PRO A 71 0.927 -7.865 -1.893 1.00 0.00 N ATOM 1042 CA PRO A 71 0.238 -6.769 -2.596 1.00 0.00 C ATOM 1043 C PRO A 71 0.128 -5.520 -1.734 1.00 0.00 C ATOM 1044 O PRO A 71 0.513 -4.426 -2.145 1.00 0.00 O ATOM 1045 CB PRO A 71 -1.133 -7.365 -2.870 1.00 0.00 C ATOM 1046 CG PRO A 71 -1.356 -8.459 -1.832 1.00 0.00 C ATOM 1047 CD PRO A 71 0.021 -8.882 -1.311 1.00 0.00 C ATOM 0 HA PRO A 71 0.764 -6.442 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.907 -6.601 -2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.181 -7.774 -3.879 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.979 -8.093 -1.016 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.877 -9.308 -2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.058 -8.879 -0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.283 -9.889 -1.636 1.00 0.00 H new ATOM 1055 N ARG A 72 -0.394 -5.698 -0.519 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.541 -4.576 0.412 1.00 0.00 C ATOM 1057 C ARG A 72 0.782 -3.817 0.583 1.00 0.00 C ATOM 1058 O ARG A 72 0.791 -2.641 0.943 1.00 0.00 O ATOM 1059 CB ARG A 72 -1.000 -5.075 1.784 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.698 -3.938 2.531 1.00 0.00 C ATOM 1061 CD ARG A 72 -1.637 -4.200 4.037 1.00 0.00 C ATOM 1062 NE ARG A 72 -2.713 -3.492 4.726 1.00 0.00 N ATOM 1063 CZ ARG A 72 -3.838 -4.117 5.061 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -4.793 -4.255 4.183 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -3.987 -4.590 6.268 1.00 0.00 N ATOM 0 H ARG A 72 -0.718 -6.596 -0.159 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.288 -3.903 -0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.680 -5.919 1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.145 -5.431 2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.218 -2.987 2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.736 -3.860 2.207 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.717 -5.270 4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.673 -3.877 4.429 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.600 -2.504 4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.677 -3.884 3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.656 -4.734 4.439 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.241 -4.480 6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.850 -5.069 6.525 1.00 0.00 H new ATOM 1079 N GLU A 73 1.896 -4.503 0.323 1.00 0.00 N ATOM 1080 CA GLU A 73 3.215 -3.884 0.451 1.00 0.00 C ATOM 1081 C GLU A 73 3.399 -2.776 -0.585 1.00 0.00 C ATOM 1082 O GLU A 73 3.760 -1.649 -0.250 1.00 0.00 O ATOM 1083 CB GLU A 73 4.315 -4.929 0.249 1.00 0.00 C ATOM 1084 CG GLU A 73 4.722 -5.515 1.600 1.00 0.00 C ATOM 1085 CD GLU A 73 5.384 -4.433 2.445 1.00 0.00 C ATOM 1086 OE1 GLU A 73 6.234 -3.734 1.919 1.00 0.00 O ATOM 1087 OE2 GLU A 73 5.032 -4.319 3.608 1.00 0.00 O ATOM 0 H GLU A 73 1.912 -5.478 0.025 1.00 0.00 H new ATOM 0 HA GLU A 73 3.285 -3.459 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.961 -5.721 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.178 -4.473 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.847 -5.909 2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.409 -6.349 1.455 1.00 0.00 H new ATOM 1094 N LEU A 74 3.162 -3.119 -1.851 1.00 0.00 N ATOM 1095 CA LEU A 74 3.320 -2.155 -2.944 1.00 0.00 C ATOM 1096 C LEU A 74 2.465 -0.907 -2.706 1.00 0.00 C ATOM 1097 O LEU A 74 2.930 0.221 -2.881 1.00 0.00 O ATOM 1098 CB LEU A 74 2.928 -2.801 -4.284 1.00 0.00 C ATOM 1099 CG LEU A 74 4.188 -3.135 -5.090 1.00 0.00 C ATOM 1100 CD1 LEU A 74 3.970 -4.436 -5.865 1.00 0.00 C ATOM 1101 CD2 LEU A 74 4.477 -2.001 -6.078 1.00 0.00 C ATOM 0 H LEU A 74 2.862 -4.048 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 74 4.368 -1.856 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.349 -3.707 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.291 -2.123 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 74 5.032 -3.252 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.867 -4.673 -6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.762 -5.246 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.126 -4.318 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.373 -2.238 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.632 -1.885 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.632 -1.072 -5.530 1.00 0.00 H new ATOM 1113 N LEU A 75 1.213 -1.118 -2.299 1.00 0.00 N ATOM 1114 CA LEU A 75 0.304 0.003 -2.037 1.00 0.00 C ATOM 1115 C LEU A 75 0.908 0.953 -1.002 1.00 0.00 C ATOM 1116 O LEU A 75 1.005 2.153 -1.234 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.049 -0.509 -1.522 1.00 0.00 C ATOM 1118 CG LEU A 75 -2.023 0.664 -1.320 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.763 0.957 -2.624 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -3.036 0.300 -0.233 1.00 0.00 C ATOM 0 H LEU A 75 0.807 -2.041 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 75 0.154 0.539 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.470 -1.222 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.910 -1.041 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.462 1.549 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.451 1.789 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.043 1.218 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.323 0.074 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.728 1.130 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.592 -0.587 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.511 0.098 0.701 1.00 0.00 H new ATOM 1132 N ASP A 76 1.292 0.400 0.141 1.00 0.00 N ATOM 1133 CA ASP A 76 1.872 1.205 1.216 1.00 0.00 C ATOM 1134 C ASP A 76 3.198 1.839 0.788 1.00 0.00 C ATOM 1135 O ASP A 76 3.653 2.809 1.395 1.00 0.00 O ATOM 1136 CB ASP A 76 2.114 0.340 2.455 1.00 0.00 C ATOM 1137 CG ASP A 76 2.283 1.236 3.677 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.293 1.796 4.119 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.400 1.350 4.153 1.00 0.00 O ATOM 0 H ASP A 76 1.215 -0.595 0.350 1.00 0.00 H new ATOM 0 HA ASP A 76 1.162 1.999 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.277 -0.342 2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.004 -0.273 2.315 1.00 0.00 H new ATOM 1144 N LEU A 77 3.821 1.285 -0.250 1.00 0.00 N ATOM 1145 CA LEU A 77 5.098 1.816 -0.727 1.00 0.00 C ATOM 1146 C LEU A 77 4.907 3.179 -1.387 1.00 0.00 C ATOM 1147 O LEU A 77 5.461 4.182 -0.941 1.00 0.00 O ATOM 1148 CB LEU A 77 5.733 0.858 -1.737 1.00 0.00 C ATOM 1149 CG LEU A 77 7.203 1.235 -1.941 1.00 0.00 C ATOM 1150 CD1 LEU A 77 8.029 -0.032 -2.170 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.331 2.151 -3.161 1.00 0.00 C ATOM 0 H LEU A 77 3.470 0.481 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 77 5.755 1.924 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.656 -0.169 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.199 0.906 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 77 7.569 1.754 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.075 0.237 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.940 -0.686 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.662 -0.551 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.377 2.419 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.963 1.632 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.743 3.055 -3.001 1.00 0.00 H new ATOM 1163 N ILE A 78 4.119 3.202 -2.457 1.00 0.00 N ATOM 1164 CA ILE A 78 3.863 4.449 -3.178 1.00 0.00 C ATOM 1165 C ILE A 78 3.161 5.459 -2.267 1.00 0.00 C ATOM 1166 O ILE A 78 3.370 6.666 -2.373 1.00 0.00 O ATOM 1167 CB ILE A 78 2.987 4.171 -4.410 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.717 3.196 -5.346 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.704 5.477 -5.160 1.00 0.00 C ATOM 1170 CD1 ILE A 78 3.195 1.771 -5.128 1.00 0.00 C ATOM 0 H ILE A 78 3.650 2.382 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 78 4.818 4.867 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 78 2.043 3.734 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.566 3.493 -6.384 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.790 3.232 -5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.083 5.269 -6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.183 6.170 -4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.645 5.922 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.718 1.086 -5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.369 1.474 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.126 1.739 -5.339 1.00 0.00 H new ATOM 1182 N ASN A 79 2.320 4.941 -1.384 1.00 0.00 N ATOM 1183 CA ASN A 79 1.563 5.779 -0.452 1.00 0.00 C ATOM 1184 C ASN A 79 2.494 6.669 0.373 1.00 0.00 C ATOM 1185 O ASN A 79 2.367 7.893 0.372 1.00 0.00 O ATOM 1186 CB ASN A 79 0.741 4.898 0.498 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.635 5.515 0.722 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.782 6.447 1.509 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -1.662 5.041 0.070 1.00 0.00 N ATOM 0 H ASN A 79 2.141 3.941 -1.290 1.00 0.00 H new ATOM 0 HA ASN A 79 0.899 6.414 -1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.636 3.897 0.079 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.261 4.792 1.450 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.588 5.444 0.214 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.539 4.267 -0.583 1.00 0.00 H new ATOM 1196 N GLY A 80 3.422 6.038 1.088 1.00 0.00 N ATOM 1197 CA GLY A 80 4.361 6.779 1.930 1.00 0.00 C ATOM 1198 C GLY A 80 5.211 7.739 1.102 1.00 0.00 C ATOM 1199 O GLY A 80 5.339 8.916 1.434 1.00 0.00 O ATOM 0 H GLY A 80 3.545 5.026 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.811 7.338 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.009 6.080 2.458 1.00 0.00 H new ATOM 1203 N ALA A 81 5.799 7.222 0.028 1.00 0.00 N ATOM 1204 CA ALA A 81 6.646 8.044 -0.838 1.00 0.00 C ATOM 1205 C ALA A 81 5.875 9.242 -1.400 1.00 0.00 C ATOM 1206 O ALA A 81 6.472 10.237 -1.813 1.00 0.00 O ATOM 1207 CB ALA A 81 7.181 7.210 -2.004 1.00 0.00 C ATOM 0 H ALA A 81 5.708 6.249 -0.264 1.00 0.00 H new ATOM 0 HA ALA A 81 7.474 8.410 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.809 7.834 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.770 6.378 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.346 6.823 -2.588 1.00 0.00 H new ATOM 1213 N LEU A 82 4.546 9.139 -1.419 1.00 0.00 N ATOM 1214 CA LEU A 82 3.717 10.222 -1.941 1.00 0.00 C ATOM 1215 C LEU A 82 3.408 11.245 -0.848 1.00 0.00 C ATOM 1216 O LEU A 82 3.232 12.432 -1.122 1.00 0.00 O ATOM 1217 CB LEU A 82 2.401 9.666 -2.489 1.00 0.00 C ATOM 1218 CG LEU A 82 1.814 10.646 -3.507 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.725 10.714 -4.733 1.00 0.00 C ATOM 1220 CD2 LEU A 82 0.423 10.166 -3.932 1.00 0.00 C ATOM 0 H LEU A 82 4.027 8.327 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 82 4.272 10.711 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.571 8.697 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.695 9.506 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 82 1.736 11.636 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.307 11.412 -5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.716 11.054 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.802 9.725 -5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.003 10.863 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.502 9.177 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.227 10.116 -3.059 1.00 0.00 H new ATOM 1232 N ALA A 83 3.340 10.771 0.393 1.00 0.00 N ATOM 1233 CA ALA A 83 3.048 11.653 1.521 1.00 0.00 C ATOM 1234 C ALA A 83 4.219 12.594 1.789 1.00 0.00 C ATOM 1235 O ALA A 83 4.030 13.761 2.135 1.00 0.00 O ATOM 1236 CB ALA A 83 2.772 10.832 2.780 1.00 0.00 C ATOM 0 H ALA A 83 3.481 9.792 0.643 1.00 0.00 H new ATOM 0 HA ALA A 83 2.166 12.241 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.556 11.503 3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.916 10.179 2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.647 10.227 3.019 1.00 0.00 H new ATOM 1242 N GLU A 84 5.431 12.073 1.629 1.00 0.00 N ATOM 1243 CA GLU A 84 6.632 12.873 1.861 1.00 0.00 C ATOM 1244 C GLU A 84 6.867 13.838 0.698 1.00 0.00 C ATOM 1245 O GLU A 84 7.430 14.918 0.876 1.00 0.00 O ATOM 1246 CB GLU A 84 7.859 11.958 2.024 1.00 0.00 C ATOM 1247 CG GLU A 84 8.477 12.154 3.413 1.00 0.00 C ATOM 1248 CD GLU A 84 7.765 11.257 4.418 1.00 0.00 C ATOM 1249 OE1 GLU A 84 7.796 10.052 4.234 1.00 0.00 O ATOM 1250 OE2 GLU A 84 7.198 11.789 5.359 1.00 0.00 O ATOM 0 H GLU A 84 5.609 11.110 1.343 1.00 0.00 H new ATOM 0 HA GLU A 84 6.487 13.448 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.567 10.916 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.596 12.184 1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.540 11.916 3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.392 13.197 3.717 1.00 0.00 H new ATOM 1257 N ALA A 85 6.433 13.437 -0.495 1.00 0.00 N ATOM 1258 CA ALA A 85 6.607 14.276 -1.677 1.00 0.00 C ATOM 1259 C ALA A 85 5.326 15.043 -1.990 1.00 0.00 C ATOM 1260 O ALA A 85 5.024 15.329 -3.148 1.00 0.00 O ATOM 1261 CB ALA A 85 6.983 13.422 -2.889 1.00 0.00 C ATOM 0 H ALA A 85 5.964 12.548 -0.667 1.00 0.00 H new ATOM 0 HA ALA A 85 7.408 14.984 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.109 14.064 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.916 12.896 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.192 12.697 -3.083 1.00 0.00 H new ATOM 1267 N ALA A 86 4.575 15.378 -0.941 1.00 0.00 N ATOM 1268 CA ALA A 86 3.325 16.119 -1.110 1.00 0.00 C ATOM 1269 C ALA A 86 2.327 15.315 -1.941 1.00 0.00 C ATOM 1270 O ALA A 86 2.749 14.376 -2.596 1.00 0.00 O ATOM 1271 CB ALA A 86 3.580 17.460 -1.803 1.00 0.00 C ATOM 1272 OXT ALA A 86 1.156 15.653 -1.910 1.00 0.00 O ATOM 0 H ALA A 86 4.807 15.151 0.026 1.00 0.00 H new ATOM 0 HA ALA A 86 2.911 16.296 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.637 17.995 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.264 18.057 -1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.020 17.284 -2.784 1.00 0.00 H new TER 1278 ALA A 86