USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 556 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 Single : A 6 THR OG1 : rot -106:sc= 1.49 USER MOD Single : A 7 THR OG1 : rot 86:sc= 0.719 USER MOD Single : A 17 SER OG : rot 86:sc= 0.128 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -147:sc= 0.511 USER MOD Single : A 42 SER OG : rot 180:sc=-0.00353 USER MOD Single : A 46 MET CE :methyl -126:sc= -0.486 (180deg=-4.15!) USER MOD Single : A 48 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc=-0.00284 USER MOD Single : A 59 SER OG : rot 45:sc= 0.0459 USER MOD Single : A 70 THR OG1 : rot -81:sc= 1.21 USER MOD Single : A 79 ASN : amide:sc= -2.25! C(o=-2.3!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -10.520 9.394 0.497 1.00 0.64 N ATOM 45 CA LEU A 4 -10.008 8.209 -0.169 1.00 0.51 C ATOM 46 C LEU A 4 -8.485 8.147 -0.068 1.00 0.45 C ATOM 47 O LEU A 4 -7.842 9.101 0.376 1.00 0.52 O ATOM 48 CB LEU A 4 -10.436 8.199 -1.634 1.00 0.57 C ATOM 49 CG LEU A 4 -11.929 8.450 -1.876 1.00 0.58 C ATOM 50 CD1 LEU A 4 -12.250 8.355 -3.356 1.00 0.88 C ATOM 51 CD2 LEU A 4 -12.782 7.470 -1.083 1.00 0.84 C ATOM 0 HA LEU A 4 -10.423 7.332 0.328 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -9.864 8.958 -2.169 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -10.170 7.235 -2.068 1.00 0.57 H new ATOM 0 HG LEU A 4 -12.163 9.458 -1.533 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -13.314 8.536 -3.510 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -11.672 9.101 -3.902 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -11.995 7.360 -3.721 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -13.837 7.670 -1.272 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -12.545 6.451 -1.389 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.576 7.587 -0.019 1.00 0.84 H new ATOM 63 N LEU A 5 -7.910 7.035 -0.505 1.00 0.39 N ATOM 64 CA LEU A 5 -6.472 6.831 -0.422 1.00 0.35 C ATOM 65 C LEU A 5 -5.790 7.552 -1.583 1.00 0.35 C ATOM 66 O LEU A 5 -6.133 7.326 -2.741 1.00 0.41 O ATOM 67 CB LEU A 5 -6.178 5.331 -0.478 1.00 0.38 C ATOM 68 CG LEU A 5 -5.049 4.832 0.425 1.00 0.58 C ATOM 69 CD1 LEU A 5 -4.900 3.325 0.287 1.00 1.00 C ATOM 70 CD2 LEU A 5 -3.740 5.530 0.098 1.00 0.98 C ATOM 0 H LEU A 5 -8.421 6.257 -0.922 1.00 0.39 H new ATOM 0 HA LEU A 5 -6.088 7.235 0.515 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -7.089 4.793 -0.217 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -5.936 5.067 -1.507 1.00 0.38 H new ATOM 0 HG LEU A 5 -5.304 5.069 1.458 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -4.094 2.978 0.934 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -5.832 2.839 0.577 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -4.667 3.076 -0.748 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -2.954 5.156 0.755 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -3.471 5.331 -0.939 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -3.854 6.604 0.244 1.00 0.98 H new ATOM 82 N THR A 6 -4.844 8.429 -1.272 1.00 0.39 N ATOM 83 CA THR A 6 -4.177 9.214 -2.297 1.00 0.49 C ATOM 84 C THR A 6 -2.790 8.656 -2.604 1.00 0.42 C ATOM 85 O THR A 6 -2.348 7.688 -1.981 1.00 0.41 O ATOM 86 CB THR A 6 -4.034 10.687 -1.868 1.00 0.69 C ATOM 87 OG1 THR A 6 -3.106 10.788 -0.779 1.00 1.21 O ATOM 88 CG2 THR A 6 -5.377 11.272 -1.451 1.00 1.03 C ATOM 0 H THR A 6 -4.524 8.613 -0.321 1.00 0.39 H new ATOM 0 HA THR A 6 -4.797 9.157 -3.192 1.00 0.49 H new ATOM 0 HB THR A 6 -3.663 11.254 -2.722 1.00 0.69 H new ATOM 0 HG1 THR A 6 -3.595 10.955 0.053 1.00 1.21 H new ATOM 0 HG21 THR A 6 -5.244 12.312 -1.154 1.00 1.03 H new ATOM 0 HG22 THR A 6 -6.072 11.220 -2.289 1.00 1.03 H new ATOM 0 HG23 THR A 6 -5.777 10.703 -0.612 1.00 1.03 H new ATOM 96 N THR A 7 -2.113 9.278 -3.561 1.00 0.47 N ATOM 97 CA THR A 7 -0.741 8.932 -3.899 1.00 0.45 C ATOM 98 C THR A 7 0.180 9.085 -2.693 1.00 0.34 C ATOM 99 O THR A 7 0.878 8.148 -2.289 1.00 0.33 O ATOM 100 CB THR A 7 -0.238 9.842 -5.033 1.00 0.59 C ATOM 101 OG1 THR A 7 -0.726 11.183 -4.837 1.00 1.30 O ATOM 102 CG2 THR A 7 -0.689 9.314 -6.387 1.00 1.06 C ATOM 0 H THR A 7 -2.500 10.036 -4.123 1.00 0.47 H new ATOM 0 HA THR A 7 -0.727 7.890 -4.219 1.00 0.45 H new ATOM 0 HB THR A 7 0.852 9.850 -5.014 1.00 0.59 H new ATOM 0 HG1 THR A 7 -0.115 11.670 -4.246 1.00 1.30 H new ATOM 0 HG21 THR A 7 -0.323 9.972 -7.175 1.00 1.06 H new ATOM 0 HG22 THR A 7 -0.290 8.311 -6.538 1.00 1.06 H new ATOM 0 HG23 THR A 7 -1.778 9.280 -6.420 1.00 1.06 H new ATOM 110 N ASP A 8 0.173 10.282 -2.132 1.00 0.41 N ATOM 111 CA ASP A 8 1.066 10.643 -1.042 1.00 0.46 C ATOM 112 C ASP A 8 0.761 9.839 0.211 1.00 0.40 C ATOM 113 O ASP A 8 1.673 9.348 0.871 1.00 0.48 O ATOM 114 CB ASP A 8 0.956 12.140 -0.757 1.00 0.64 C ATOM 115 CG ASP A 8 1.332 12.977 -1.964 1.00 1.36 C ATOM 116 OD1 ASP A 8 0.585 12.948 -2.968 1.00 2.19 O ATOM 117 OD2 ASP A 8 2.382 13.652 -1.926 1.00 1.63 O ATOM 0 H ASP A 8 -0.454 11.034 -2.420 1.00 0.41 H new ATOM 0 HA ASP A 8 2.087 10.410 -1.343 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.064 12.378 -0.455 1.00 0.64 H new ATOM 0 HB3 ASP A 8 1.605 12.398 0.080 1.00 0.64 H new ATOM 122 N ASP A 9 -0.522 9.678 0.521 1.00 0.40 N ATOM 123 CA ASP A 9 -0.925 8.921 1.704 1.00 0.44 C ATOM 124 C ASP A 9 -0.482 7.471 1.600 1.00 0.38 C ATOM 125 O ASP A 9 -0.144 6.846 2.602 1.00 0.44 O ATOM 126 CB ASP A 9 -2.438 8.980 1.915 1.00 0.58 C ATOM 127 CG ASP A 9 -2.895 10.292 2.516 1.00 0.86 C ATOM 128 OD1 ASP A 9 -2.552 10.564 3.685 1.00 1.12 O ATOM 129 OD2 ASP A 9 -3.612 11.048 1.825 1.00 1.12 O ATOM 0 H ASP A 9 -1.296 10.058 -0.025 1.00 0.40 H new ATOM 0 HA ASP A 9 -0.435 9.382 2.562 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -2.940 8.829 0.959 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -2.742 8.161 2.567 1.00 0.58 H new ATOM 134 N LEU A 10 -0.482 6.943 0.384 1.00 0.35 N ATOM 135 CA LEU A 10 -0.033 5.579 0.149 1.00 0.37 C ATOM 136 C LEU A 10 1.454 5.474 0.468 1.00 0.37 C ATOM 137 O LEU A 10 1.878 4.621 1.244 1.00 0.42 O ATOM 138 CB LEU A 10 -0.293 5.180 -1.310 1.00 0.42 C ATOM 139 CG LEU A 10 -0.716 3.725 -1.538 1.00 0.58 C ATOM 140 CD1 LEU A 10 -0.953 3.470 -3.016 1.00 1.08 C ATOM 141 CD2 LEU A 10 0.325 2.755 -0.999 1.00 0.79 C ATOM 0 H LEU A 10 -0.788 7.438 -0.454 1.00 0.35 H new ATOM 0 HA LEU A 10 -0.588 4.900 0.796 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -1.069 5.831 -1.712 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.613 5.370 -1.886 1.00 0.42 H new ATOM 0 HG LEU A 10 -1.646 3.558 -0.994 1.00 0.58 H new ATOM 0 HD11 LEU A 10 -1.253 2.432 -3.163 1.00 1.08 H new ATOM 0 HD12 LEU A 10 -1.742 4.130 -3.377 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -0.035 3.664 -3.571 1.00 1.08 H new ATOM 0 HD21 LEU A 10 -0.005 1.731 -1.176 1.00 0.79 H new ATOM 0 HD22 LEU A 10 1.275 2.923 -1.506 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.451 2.915 0.072 1.00 0.79 H new ATOM 153 N ARG A 11 2.228 6.367 -0.136 1.00 0.37 N ATOM 154 CA ARG A 11 3.674 6.420 0.069 1.00 0.45 C ATOM 155 C ARG A 11 4.019 6.584 1.551 1.00 0.48 C ATOM 156 O ARG A 11 4.972 5.978 2.048 1.00 0.60 O ATOM 157 CB ARG A 11 4.267 7.573 -0.747 1.00 0.52 C ATOM 158 CG ARG A 11 5.781 7.682 -0.678 1.00 0.67 C ATOM 159 CD ARG A 11 6.277 8.882 -1.474 1.00 0.85 C ATOM 160 NE ARG A 11 5.687 10.132 -0.992 1.00 1.04 N ATOM 161 CZ ARG A 11 5.009 10.990 -1.756 1.00 1.36 C ATOM 162 NH1 ARG A 11 4.846 10.754 -3.048 1.00 1.64 N ATOM 163 NH2 ARG A 11 4.493 12.087 -1.223 1.00 2.17 N ATOM 0 H ARG A 11 1.874 7.074 -0.781 1.00 0.37 H new ATOM 0 HA ARG A 11 4.105 5.478 -0.269 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.971 7.453 -1.789 1.00 0.52 H new ATOM 0 HB3 ARG A 11 3.832 8.509 -0.398 1.00 0.52 H new ATOM 0 HG2 ARG A 11 6.096 7.775 0.361 1.00 0.67 H new ATOM 0 HG3 ARG A 11 6.233 6.770 -1.068 1.00 0.67 H new ATOM 0 HD2 ARG A 11 7.363 8.941 -1.404 1.00 0.85 H new ATOM 0 HD3 ARG A 11 6.032 8.746 -2.527 1.00 0.85 H new ATOM 0 HE ARG A 11 5.802 10.363 -0.005 1.00 1.04 H new ATOM 0 HH11 ARG A 11 5.240 9.911 -3.466 1.00 1.64 H new ATOM 0 HH12 ARG A 11 4.326 11.415 -3.626 1.00 1.64 H new ATOM 0 HH21 ARG A 11 4.614 12.276 -0.228 1.00 2.17 H new ATOM 0 HH22 ARG A 11 3.975 12.743 -1.807 1.00 2.17 H new ATOM 177 N ARG A 12 3.241 7.405 2.249 1.00 0.43 N ATOM 178 CA ARG A 12 3.458 7.646 3.672 1.00 0.46 C ATOM 179 C ARG A 12 3.248 6.379 4.487 1.00 0.44 C ATOM 180 O ARG A 12 4.001 6.110 5.418 1.00 0.46 O ATOM 181 CB ARG A 12 2.526 8.740 4.187 1.00 0.53 C ATOM 182 CG ARG A 12 2.795 10.099 3.571 1.00 0.91 C ATOM 183 CD ARG A 12 1.858 11.156 4.122 1.00 1.49 C ATOM 184 NE ARG A 12 2.081 11.399 5.548 1.00 2.06 N ATOM 185 CZ ARG A 12 1.464 12.354 6.245 1.00 2.93 C ATOM 186 NH1 ARG A 12 0.528 13.102 5.671 1.00 3.32 N ATOM 187 NH2 ARG A 12 1.769 12.551 7.523 1.00 3.66 N ATOM 0 H ARG A 12 2.453 7.916 1.852 1.00 0.43 H new ATOM 0 HA ARG A 12 4.492 7.970 3.789 1.00 0.46 H new ATOM 0 HB2 ARG A 12 1.494 8.454 3.982 1.00 0.53 H new ATOM 0 HB3 ARG A 12 2.627 8.814 5.270 1.00 0.53 H new ATOM 0 HG2 ARG A 12 3.827 10.390 3.766 1.00 0.91 H new ATOM 0 HG3 ARG A 12 2.680 10.038 2.489 1.00 0.91 H new ATOM 0 HD2 ARG A 12 1.996 12.086 3.570 1.00 1.49 H new ATOM 0 HD3 ARG A 12 0.826 10.843 3.965 1.00 1.49 H new ATOM 0 HE ARG A 12 2.748 10.803 6.038 1.00 2.06 H new ATOM 0 HH11 ARG A 12 0.279 12.947 4.694 1.00 3.32 H new ATOM 0 HH12 ARG A 12 0.058 13.831 6.207 1.00 3.32 H new ATOM 0 HH21 ARG A 12 2.477 11.971 7.974 1.00 3.66 H new ATOM 0 HH22 ARG A 12 1.295 13.282 8.053 1.00 3.66 H new ATOM 201 N ALA A 13 2.237 5.596 4.122 1.00 0.43 N ATOM 202 CA ALA A 13 1.926 4.368 4.845 1.00 0.44 C ATOM 203 C ALA A 13 3.098 3.396 4.798 1.00 0.43 C ATOM 204 O ALA A 13 3.326 2.634 5.742 1.00 0.47 O ATOM 205 CB ALA A 13 0.678 3.714 4.276 1.00 0.49 C ATOM 0 H ALA A 13 1.621 5.789 3.332 1.00 0.43 H new ATOM 0 HA ALA A 13 1.740 4.630 5.887 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.462 2.799 4.828 1.00 0.49 H new ATOM 0 HB2 ALA A 13 -0.165 4.399 4.365 1.00 0.49 H new ATOM 0 HB3 ALA A 13 0.840 3.473 3.225 1.00 0.49 H new ATOM 211 N LEU A 14 3.833 3.423 3.692 1.00 0.41 N ATOM 212 CA LEU A 14 5.054 2.636 3.564 1.00 0.45 C ATOM 213 C LEU A 14 6.104 3.127 4.555 1.00 0.47 C ATOM 214 O LEU A 14 6.628 2.356 5.358 1.00 0.53 O ATOM 215 CB LEU A 14 5.610 2.721 2.135 1.00 0.49 C ATOM 216 CG LEU A 14 5.048 1.711 1.127 1.00 0.51 C ATOM 217 CD1 LEU A 14 5.287 0.289 1.598 1.00 0.79 C ATOM 218 CD2 LEU A 14 3.567 1.943 0.880 1.00 0.70 C ATOM 0 H LEU A 14 3.604 3.982 2.870 1.00 0.41 H new ATOM 0 HA LEU A 14 4.812 1.596 3.783 1.00 0.45 H new ATOM 0 HB2 LEU A 14 5.423 3.725 1.754 1.00 0.49 H new ATOM 0 HB3 LEU A 14 6.692 2.594 2.180 1.00 0.49 H new ATOM 0 HG LEU A 14 5.576 1.859 0.185 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.880 -0.410 0.867 1.00 0.79 H new ATOM 0 HD12 LEU A 14 6.358 0.117 1.707 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.795 0.136 2.559 1.00 0.79 H new ATOM 0 HD21 LEU A 14 3.199 1.211 0.161 1.00 0.70 H new ATOM 0 HD22 LEU A 14 3.021 1.837 1.817 1.00 0.70 H new ATOM 0 HD23 LEU A 14 3.417 2.947 0.484 1.00 0.70 H new ATOM 230 N VAL A 15 6.382 4.425 4.505 1.00 0.50 N ATOM 231 CA VAL A 15 7.417 5.036 5.336 1.00 0.57 C ATOM 232 C VAL A 15 7.071 4.960 6.825 1.00 0.60 C ATOM 233 O VAL A 15 7.945 4.708 7.653 1.00 0.71 O ATOM 234 CB VAL A 15 7.643 6.517 4.938 1.00 0.60 C ATOM 235 CG1 VAL A 15 8.700 7.169 5.822 1.00 0.70 C ATOM 236 CG2 VAL A 15 8.031 6.621 3.468 1.00 0.60 C ATOM 0 H VAL A 15 5.900 5.082 3.891 1.00 0.50 H new ATOM 0 HA VAL A 15 8.333 4.470 5.165 1.00 0.57 H new ATOM 0 HB VAL A 15 6.706 7.054 5.087 1.00 0.60 H new ATOM 0 HG11 VAL A 15 8.837 8.207 5.520 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.376 7.134 6.862 1.00 0.70 H new ATOM 0 HG13 VAL A 15 9.643 6.633 5.717 1.00 0.70 H new ATOM 0 HG21 VAL A 15 8.186 7.668 3.206 1.00 0.60 H new ATOM 0 HG22 VAL A 15 8.951 6.063 3.294 1.00 0.60 H new ATOM 0 HG23 VAL A 15 7.234 6.206 2.851 1.00 0.60 H new ATOM 246 N GLU A 16 5.806 5.180 7.162 1.00 0.59 N ATOM 247 CA GLU A 16 5.363 5.128 8.553 1.00 0.70 C ATOM 248 C GLU A 16 5.573 3.729 9.145 1.00 0.75 C ATOM 249 O GLU A 16 5.767 3.574 10.350 1.00 0.92 O ATOM 250 CB GLU A 16 3.895 5.560 8.666 1.00 0.86 C ATOM 251 CG GLU A 16 3.690 7.059 8.470 1.00 0.96 C ATOM 252 CD GLU A 16 2.228 7.470 8.431 1.00 1.17 C ATOM 253 OE1 GLU A 16 1.511 7.263 9.434 1.00 1.49 O ATOM 254 OE2 GLU A 16 1.785 8.008 7.391 1.00 1.28 O ATOM 0 H GLU A 16 5.068 5.396 6.492 1.00 0.59 H new ATOM 0 HA GLU A 16 5.969 5.826 9.131 1.00 0.70 H new ATOM 0 HB2 GLU A 16 3.306 5.020 7.924 1.00 0.86 H new ATOM 0 HB3 GLU A 16 3.514 5.273 9.646 1.00 0.86 H new ATOM 0 HG2 GLU A 16 4.188 7.595 9.278 1.00 0.96 H new ATOM 0 HG3 GLU A 16 4.170 7.365 7.541 1.00 0.96 H new ATOM 261 N SER A 17 5.534 2.714 8.293 1.00 0.68 N ATOM 262 CA SER A 17 5.832 1.352 8.713 1.00 0.78 C ATOM 263 C SER A 17 7.339 1.095 8.656 1.00 0.80 C ATOM 264 O SER A 17 7.914 0.485 9.561 1.00 1.05 O ATOM 265 CB SER A 17 5.084 0.358 7.826 1.00 0.81 C ATOM 266 OG SER A 17 3.703 0.679 7.777 1.00 1.25 O ATOM 0 H SER A 17 5.298 2.808 7.305 1.00 0.68 H new ATOM 0 HA SER A 17 5.501 1.219 9.743 1.00 0.78 H new ATOM 0 HB2 SER A 17 5.503 0.372 6.820 1.00 0.81 H new ATOM 0 HB3 SER A 17 5.215 -0.653 8.211 1.00 0.81 H new ATOM 0 HG SER A 17 3.546 1.342 7.072 1.00 1.25 H new ATOM 272 N ALA A 18 7.964 1.571 7.584 1.00 0.74 N ATOM 273 CA ALA A 18 9.400 1.430 7.384 1.00 0.87 C ATOM 274 C ALA A 18 9.905 2.476 6.398 1.00 1.11 C ATOM 275 O ALA A 18 9.688 2.358 5.192 1.00 1.68 O ATOM 276 CB ALA A 18 9.727 0.040 6.873 1.00 1.09 C ATOM 0 H ALA A 18 7.488 2.066 6.830 1.00 0.74 H new ATOM 0 HA ALA A 18 9.897 1.581 8.343 1.00 0.87 H new ATOM 0 HB1 ALA A 18 10.804 -0.051 6.728 1.00 1.09 H new ATOM 0 HB2 ALA A 18 9.395 -0.702 7.599 1.00 1.09 H new ATOM 0 HB3 ALA A 18 9.218 -0.128 5.924 1.00 1.09 H new ATOM 363 N LEU A 26 11.782 6.746 -2.782 1.00 1.15 N ATOM 364 CA LEU A 26 10.412 6.598 -3.255 1.00 1.01 C ATOM 365 C LEU A 26 9.935 7.875 -3.935 1.00 1.04 C ATOM 366 O LEU A 26 8.742 8.184 -3.934 1.00 1.18 O ATOM 367 CB LEU A 26 9.484 6.249 -2.088 1.00 1.12 C ATOM 368 CG LEU A 26 9.794 4.927 -1.386 1.00 0.89 C ATOM 369 CD1 LEU A 26 8.843 4.706 -0.222 1.00 1.28 C ATOM 370 CD2 LEU A 26 9.722 3.765 -2.368 1.00 1.60 C ATOM 0 HA LEU A 26 10.388 5.788 -3.984 1.00 1.01 H new ATOM 0 HB2 LEU A 26 9.532 7.053 -1.353 1.00 1.12 H new ATOM 0 HB3 LEU A 26 8.459 6.215 -2.457 1.00 1.12 H new ATOM 0 HG LEU A 26 10.810 4.978 -0.994 1.00 0.89 H new ATOM 0 HD11 LEU A 26 9.079 3.760 0.266 1.00 1.28 H new ATOM 0 HD12 LEU A 26 8.950 5.520 0.495 1.00 1.28 H new ATOM 0 HD13 LEU A 26 7.817 4.679 -0.590 1.00 1.28 H new ATOM 0 HD21 LEU A 26 9.946 2.834 -1.847 1.00 1.60 H new ATOM 0 HD22 LEU A 26 8.720 3.710 -2.794 1.00 1.60 H new ATOM 0 HD23 LEU A 26 10.448 3.918 -3.166 1.00 1.60 H new ATOM 382 N SER A 27 10.867 8.603 -4.539 1.00 1.09 N ATOM 383 CA SER A 27 10.550 9.889 -5.154 1.00 1.24 C ATOM 384 C SER A 27 10.104 9.705 -6.605 1.00 1.33 C ATOM 385 O SER A 27 9.645 10.649 -7.252 1.00 1.85 O ATOM 386 CB SER A 27 11.782 10.795 -5.102 1.00 1.39 C ATOM 387 OG SER A 27 12.529 10.557 -3.919 1.00 2.08 O ATOM 0 H SER A 27 11.846 8.327 -4.617 1.00 1.09 H new ATOM 0 HA SER A 27 9.731 10.348 -4.600 1.00 1.24 H new ATOM 0 HB2 SER A 27 12.408 10.616 -5.976 1.00 1.39 H new ATOM 0 HB3 SER A 27 11.473 11.840 -5.139 1.00 1.39 H new ATOM 0 HG SER A 27 13.314 11.144 -3.904 1.00 2.08 H new ATOM 393 N GLY A 28 10.240 8.486 -7.108 1.00 1.34 N ATOM 394 CA GLY A 28 9.931 8.219 -8.498 1.00 1.58 C ATOM 395 C GLY A 28 8.595 7.525 -8.691 1.00 1.41 C ATOM 396 O GLY A 28 7.739 7.539 -7.801 1.00 1.84 O ATOM 0 H GLY A 28 10.559 7.676 -6.577 1.00 1.34 H new ATOM 0 HA2 GLY A 28 9.928 9.159 -9.050 1.00 1.58 H new ATOM 0 HA3 GLY A 28 10.720 7.600 -8.926 1.00 1.58 H new ATOM 400 N ASP A 29 8.419 6.915 -9.859 1.00 1.35 N ATOM 401 CA ASP A 29 7.179 6.226 -10.202 1.00 1.28 C ATOM 402 C ASP A 29 7.079 4.896 -9.462 1.00 1.21 C ATOM 403 O ASP A 29 7.331 3.834 -10.031 1.00 1.84 O ATOM 404 CB ASP A 29 7.109 5.975 -11.715 1.00 1.54 C ATOM 405 CG ASP A 29 7.410 7.217 -12.532 1.00 2.18 C ATOM 406 OD1 ASP A 29 8.587 7.639 -12.571 1.00 2.64 O ATOM 407 OD2 ASP A 29 6.474 7.782 -13.131 1.00 2.77 O ATOM 0 H ASP A 29 9.128 6.884 -10.592 1.00 1.35 H new ATOM 0 HA ASP A 29 6.346 6.862 -9.903 1.00 1.28 H new ATOM 0 HB2 ASP A 29 7.817 5.190 -11.981 1.00 1.54 H new ATOM 0 HB3 ASP A 29 6.115 5.609 -11.972 1.00 1.54 H new ATOM 412 N PHE A 30 6.730 4.959 -8.183 1.00 0.72 N ATOM 413 CA PHE A 30 6.678 3.764 -7.347 1.00 0.64 C ATOM 414 C PHE A 30 5.450 2.916 -7.676 1.00 0.53 C ATOM 415 O PHE A 30 5.461 1.703 -7.506 1.00 0.50 O ATOM 416 CB PHE A 30 6.688 4.141 -5.853 1.00 0.64 C ATOM 417 CG PHE A 30 5.451 4.859 -5.371 1.00 0.57 C ATOM 418 CD1 PHE A 30 5.218 6.184 -5.708 1.00 0.76 C ATOM 419 CD2 PHE A 30 4.518 4.198 -4.581 1.00 0.70 C ATOM 420 CE1 PHE A 30 4.079 6.836 -5.269 1.00 0.92 C ATOM 421 CE2 PHE A 30 3.380 4.844 -4.141 1.00 0.87 C ATOM 422 CZ PHE A 30 3.159 6.164 -4.486 1.00 0.92 C ATOM 0 H PHE A 30 6.479 5.823 -7.702 1.00 0.72 H new ATOM 0 HA PHE A 30 7.567 3.170 -7.559 1.00 0.64 H new ATOM 0 HB2 PHE A 30 6.816 3.232 -5.265 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.556 4.771 -5.658 1.00 0.64 H new ATOM 0 HD1 PHE A 30 5.934 6.713 -6.320 1.00 0.76 H new ATOM 0 HD2 PHE A 30 4.685 3.167 -4.308 1.00 0.70 H new ATOM 0 HE1 PHE A 30 3.909 7.868 -5.538 1.00 0.92 H new ATOM 0 HE2 PHE A 30 2.663 4.318 -3.528 1.00 0.87 H new ATOM 0 HZ PHE A 30 2.268 6.670 -4.144 1.00 0.92 H new ATOM 432 N LEU A 31 4.398 3.572 -8.154 1.00 0.50 N ATOM 433 CA LEU A 31 3.139 2.901 -8.478 1.00 0.45 C ATOM 434 C LEU A 31 3.327 1.755 -9.478 1.00 0.41 C ATOM 435 O LEU A 31 2.599 0.763 -9.436 1.00 0.43 O ATOM 436 CB LEU A 31 2.130 3.912 -9.017 1.00 0.52 C ATOM 437 CG LEU A 31 1.660 4.958 -8.001 1.00 0.54 C ATOM 438 CD1 LEU A 31 0.773 5.990 -8.672 1.00 0.78 C ATOM 439 CD2 LEU A 31 0.917 4.292 -6.853 1.00 0.43 C ATOM 0 H LEU A 31 4.391 4.577 -8.328 1.00 0.50 H new ATOM 0 HA LEU A 31 2.760 2.462 -7.555 1.00 0.45 H new ATOM 0 HB2 LEU A 31 2.574 4.428 -9.869 1.00 0.52 H new ATOM 0 HB3 LEU A 31 1.260 3.372 -9.390 1.00 0.52 H new ATOM 0 HG LEU A 31 2.538 5.463 -7.599 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.448 6.725 -7.935 1.00 0.78 H new ATOM 0 HD12 LEU A 31 1.332 6.491 -9.463 1.00 0.78 H new ATOM 0 HD13 LEU A 31 -0.099 5.497 -9.101 1.00 0.78 H new ATOM 0 HD21 LEU A 31 0.591 5.051 -6.142 1.00 0.43 H new ATOM 0 HD22 LEU A 31 0.048 3.761 -7.241 1.00 0.43 H new ATOM 0 HD23 LEU A 31 1.579 3.586 -6.352 1.00 0.43 H new ATOM 451 N ASP A 32 4.305 1.899 -10.366 1.00 0.41 N ATOM 452 CA ASP A 32 4.546 0.905 -11.413 1.00 0.43 C ATOM 453 C ASP A 32 5.599 -0.108 -10.990 1.00 0.42 C ATOM 454 O ASP A 32 5.833 -1.101 -11.683 1.00 0.51 O ATOM 455 CB ASP A 32 4.995 1.586 -12.710 1.00 0.56 C ATOM 456 CG ASP A 32 3.866 2.281 -13.440 1.00 1.39 C ATOM 457 OD1 ASP A 32 3.200 1.627 -14.272 1.00 1.73 O ATOM 458 OD2 ASP A 32 3.632 3.480 -13.191 1.00 2.29 O ATOM 0 H ASP A 32 4.945 2.693 -10.384 1.00 0.41 H new ATOM 0 HA ASP A 32 3.605 0.380 -11.581 1.00 0.43 H new ATOM 0 HB2 ASP A 32 5.773 2.314 -12.480 1.00 0.56 H new ATOM 0 HB3 ASP A 32 5.441 0.841 -13.369 1.00 0.56 H new ATOM 463 N LEU A 33 6.254 0.150 -9.871 1.00 0.43 N ATOM 464 CA LEU A 33 7.280 -0.751 -9.362 1.00 0.48 C ATOM 465 C LEU A 33 6.669 -1.764 -8.406 1.00 0.42 C ATOM 466 O LEU A 33 5.814 -1.417 -7.597 1.00 0.46 O ATOM 467 CB LEU A 33 8.385 0.033 -8.654 1.00 0.56 C ATOM 468 CG LEU A 33 9.168 1.010 -9.537 1.00 0.68 C ATOM 469 CD1 LEU A 33 10.154 1.809 -8.698 1.00 1.23 C ATOM 470 CD2 LEU A 33 9.899 0.266 -10.647 1.00 1.01 C ATOM 0 H LEU A 33 6.095 0.977 -9.295 1.00 0.43 H new ATOM 0 HA LEU A 33 7.717 -1.281 -10.208 1.00 0.48 H new ATOM 0 HB2 LEU A 33 7.940 0.591 -7.830 1.00 0.56 H new ATOM 0 HB3 LEU A 33 9.087 -0.677 -8.216 1.00 0.56 H new ATOM 0 HG LEU A 33 8.460 1.700 -9.995 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.703 2.499 -9.340 1.00 1.23 H new ATOM 0 HD12 LEU A 33 9.612 2.373 -7.939 1.00 1.23 H new ATOM 0 HD13 LEU A 33 10.855 1.129 -8.214 1.00 1.23 H new ATOM 0 HD21 LEU A 33 10.448 0.979 -11.262 1.00 1.01 H new ATOM 0 HD22 LEU A 33 10.596 -0.448 -10.209 1.00 1.01 H new ATOM 0 HD23 LEU A 33 9.176 -0.266 -11.266 1.00 1.01 H new ATOM 482 N ARG A 34 7.098 -3.014 -8.498 1.00 0.40 N ATOM 483 CA ARG A 34 6.596 -4.046 -7.604 1.00 0.39 C ATOM 484 C ARG A 34 7.184 -3.854 -6.211 1.00 0.36 C ATOM 485 O ARG A 34 8.176 -3.143 -6.035 1.00 0.42 O ATOM 486 CB ARG A 34 6.960 -5.436 -8.114 1.00 0.50 C ATOM 487 CG ARG A 34 6.566 -5.695 -9.560 1.00 0.66 C ATOM 488 CD ARG A 34 7.290 -6.913 -10.097 1.00 0.80 C ATOM 489 NE ARG A 34 8.724 -6.808 -9.846 1.00 1.41 N ATOM 490 CZ ARG A 34 9.467 -7.774 -9.316 1.00 1.84 C ATOM 491 NH1 ARG A 34 8.922 -8.943 -8.998 1.00 1.72 N ATOM 492 NH2 ARG A 34 10.753 -7.553 -9.067 1.00 2.88 N ATOM 0 H ARG A 34 7.787 -3.336 -9.177 1.00 0.40 H new ATOM 0 HA ARG A 34 5.510 -3.961 -7.565 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.036 -5.577 -8.012 1.00 0.50 H new ATOM 0 HB3 ARG A 34 6.479 -6.181 -7.480 1.00 0.50 H new ATOM 0 HG2 ARG A 34 5.489 -5.846 -9.628 1.00 0.66 H new ATOM 0 HG3 ARG A 34 6.805 -4.824 -10.170 1.00 0.66 H new ATOM 0 HD2 ARG A 34 6.897 -7.814 -9.625 1.00 0.80 H new ATOM 0 HD3 ARG A 34 7.108 -7.009 -11.167 1.00 0.80 H new ATOM 0 HE ARG A 34 9.187 -5.934 -10.094 1.00 1.41 H new ATOM 0 HH11 ARG A 34 7.928 -9.103 -9.160 1.00 1.72 H new ATOM 0 HH12 ARG A 34 9.498 -9.680 -8.592 1.00 1.72 H new ATOM 0 HH21 ARG A 34 11.166 -6.645 -9.283 1.00 2.88 H new ATOM 0 HH22 ARG A 34 11.328 -8.291 -8.660 1.00 2.88 H new ATOM 506 N PHE A 35 6.578 -4.491 -5.224 1.00 0.36 N ATOM 507 CA PHE A 35 7.068 -4.417 -3.852 1.00 0.39 C ATOM 508 C PHE A 35 8.514 -4.911 -3.748 1.00 0.46 C ATOM 509 O PHE A 35 9.298 -4.381 -2.959 1.00 0.49 O ATOM 510 CB PHE A 35 6.141 -5.198 -2.924 1.00 0.45 C ATOM 511 CG PHE A 35 4.728 -4.695 -2.988 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.396 -3.459 -2.454 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.741 -5.437 -3.611 1.00 0.52 C ATOM 514 CE1 PHE A 35 3.102 -2.978 -2.533 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.446 -4.959 -3.699 1.00 0.59 C ATOM 516 CZ PHE A 35 2.128 -3.729 -3.160 1.00 0.59 C ATOM 0 H PHE A 35 5.745 -5.067 -5.344 1.00 0.36 H new ATOM 0 HA PHE A 35 7.067 -3.373 -3.540 1.00 0.39 H new ATOM 0 HB2 PHE A 35 6.163 -6.254 -3.194 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.506 -5.124 -1.900 1.00 0.45 H new ATOM 0 HD1 PHE A 35 5.157 -2.865 -1.971 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.984 -6.401 -4.034 1.00 0.52 H new ATOM 0 HE1 PHE A 35 2.854 -2.018 -2.105 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.685 -5.548 -4.189 1.00 0.59 H new ATOM 0 HZ PHE A 35 1.117 -3.354 -3.229 1.00 0.59 H new ATOM 526 N GLU A 36 8.860 -5.923 -4.545 1.00 0.59 N ATOM 527 CA GLU A 36 10.242 -6.394 -4.621 1.00 0.76 C ATOM 528 C GLU A 36 11.183 -5.296 -5.116 1.00 0.71 C ATOM 529 O GLU A 36 12.332 -5.214 -4.682 1.00 0.80 O ATOM 530 CB GLU A 36 10.370 -7.605 -5.545 1.00 1.00 C ATOM 531 CG GLU A 36 9.756 -8.884 -5.001 1.00 1.26 C ATOM 532 CD GLU A 36 10.280 -10.113 -5.724 1.00 1.89 C ATOM 533 OE1 GLU A 36 9.790 -10.414 -6.829 1.00 2.60 O ATOM 534 OE2 GLU A 36 11.212 -10.765 -5.204 1.00 2.28 O ATOM 0 H GLU A 36 8.207 -6.429 -5.143 1.00 0.59 H new ATOM 0 HA GLU A 36 10.526 -6.681 -3.609 1.00 0.76 H new ATOM 0 HB2 GLU A 36 9.899 -7.369 -6.499 1.00 1.00 H new ATOM 0 HB3 GLU A 36 11.427 -7.782 -5.746 1.00 1.00 H new ATOM 0 HG2 GLU A 36 9.974 -8.968 -3.936 1.00 1.26 H new ATOM 0 HG3 GLU A 36 8.672 -8.838 -5.101 1.00 1.26 H new ATOM 541 N ASP A 37 10.683 -4.442 -6.006 1.00 0.65 N ATOM 542 CA ASP A 37 11.525 -3.456 -6.679 1.00 0.74 C ATOM 543 C ASP A 37 11.735 -2.240 -5.795 1.00 0.66 C ATOM 544 O ASP A 37 12.754 -1.561 -5.892 1.00 0.75 O ATOM 545 CB ASP A 37 10.901 -3.012 -8.011 1.00 0.86 C ATOM 546 CG ASP A 37 10.635 -4.164 -8.962 1.00 1.28 C ATOM 547 OD1 ASP A 37 11.533 -5.007 -9.160 1.00 1.38 O ATOM 548 OD2 ASP A 37 9.518 -4.229 -9.519 1.00 2.03 O ATOM 0 H ASP A 37 9.700 -4.413 -6.278 1.00 0.65 H new ATOM 0 HA ASP A 37 12.486 -3.929 -6.880 1.00 0.74 H new ATOM 0 HB2 ASP A 37 9.964 -2.492 -7.810 1.00 0.86 H new ATOM 0 HB3 ASP A 37 11.566 -2.296 -8.495 1.00 0.86 H new ATOM 553 N ILE A 38 10.775 -1.969 -4.921 1.00 0.54 N ATOM 554 CA ILE A 38 10.893 -0.847 -4.003 1.00 0.54 C ATOM 555 C ILE A 38 11.596 -1.268 -2.711 1.00 0.50 C ATOM 556 O ILE A 38 11.677 -0.498 -1.755 1.00 0.55 O ATOM 557 CB ILE A 38 9.522 -0.212 -3.676 1.00 0.55 C ATOM 558 CG1 ILE A 38 8.563 -1.256 -3.095 1.00 0.48 C ATOM 559 CG2 ILE A 38 8.932 0.429 -4.926 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.199 -0.699 -2.735 1.00 0.57 C ATOM 0 H ILE A 38 9.913 -2.506 -4.829 1.00 0.54 H new ATOM 0 HA ILE A 38 11.497 -0.092 -4.507 1.00 0.54 H new ATOM 0 HB ILE A 38 9.668 0.563 -2.923 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.437 -2.062 -3.818 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.013 -1.694 -2.204 1.00 0.48 H new ATOM 0 HG21 ILE A 38 7.966 0.874 -4.686 1.00 0.67 H new ATOM 0 HG22 ILE A 38 9.607 1.203 -5.291 1.00 0.67 H new ATOM 0 HG23 ILE A 38 8.800 -0.330 -5.697 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.576 -1.496 -2.330 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.312 0.087 -1.989 1.00 0.57 H new ATOM 0 HD13 ILE A 38 6.727 -0.287 -3.627 1.00 0.57 H new ATOM 572 N GLY A 39 12.119 -2.494 -2.709 1.00 0.53 N ATOM 573 CA GLY A 39 12.902 -2.982 -1.591 1.00 0.58 C ATOM 574 C GLY A 39 12.134 -3.020 -0.283 1.00 0.51 C ATOM 575 O GLY A 39 12.625 -2.549 0.744 1.00 0.62 O ATOM 0 H GLY A 39 12.011 -3.162 -3.472 1.00 0.53 H new ATOM 0 HA2 GLY A 39 13.262 -3.985 -1.821 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.780 -2.348 -1.469 1.00 0.58 H new ATOM 579 N TYR A 40 10.930 -3.569 -0.310 1.00 0.47 N ATOM 580 CA TYR A 40 10.146 -3.715 0.905 1.00 0.47 C ATOM 581 C TYR A 40 9.957 -5.179 1.264 1.00 0.55 C ATOM 582 O TYR A 40 9.394 -5.956 0.490 1.00 0.71 O ATOM 583 CB TYR A 40 8.796 -3.017 0.775 1.00 0.47 C ATOM 584 CG TYR A 40 8.822 -1.580 1.248 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.168 -0.542 0.391 1.00 0.48 C ATOM 586 CD2 TYR A 40 8.503 -1.264 2.562 1.00 0.49 C ATOM 587 CE1 TYR A 40 9.199 0.766 0.832 1.00 0.52 C ATOM 588 CE2 TYR A 40 8.532 0.045 3.009 1.00 0.53 C ATOM 589 CZ TYR A 40 8.878 1.055 2.138 1.00 0.53 C ATOM 590 OH TYR A 40 8.902 2.356 2.574 1.00 0.61 O ATOM 0 H TYR A 40 10.477 -3.919 -1.154 1.00 0.47 H new ATOM 0 HA TYR A 40 10.700 -3.237 1.713 1.00 0.47 H new ATOM 0 HB2 TYR A 40 8.479 -3.044 -0.267 1.00 0.47 H new ATOM 0 HB3 TYR A 40 8.052 -3.569 1.349 1.00 0.47 H new ATOM 0 HD1 TYR A 40 9.417 -0.762 -0.637 1.00 0.48 H new ATOM 0 HD2 TYR A 40 8.228 -2.053 3.246 1.00 0.49 H new ATOM 0 HE1 TYR A 40 9.474 1.560 0.154 1.00 0.52 H new ATOM 0 HE2 TYR A 40 8.285 0.274 4.035 1.00 0.53 H new ATOM 0 HH TYR A 40 9.181 2.381 3.513 1.00 0.61 H new ATOM 600 N ASP A 41 10.457 -5.542 2.437 1.00 0.58 N ATOM 601 CA ASP A 41 10.338 -6.902 2.953 1.00 0.71 C ATOM 602 C ASP A 41 8.885 -7.272 3.210 1.00 0.66 C ATOM 603 O ASP A 41 8.076 -6.420 3.580 1.00 0.93 O ATOM 604 CB ASP A 41 11.125 -7.050 4.257 1.00 0.89 C ATOM 605 CG ASP A 41 12.617 -6.903 4.063 1.00 1.40 C ATOM 606 OD1 ASP A 41 13.117 -5.754 4.096 1.00 1.93 O ATOM 607 OD2 ASP A 41 13.301 -7.938 3.898 1.00 1.82 O ATOM 0 H ASP A 41 10.956 -4.905 3.058 1.00 0.58 H new ATOM 0 HA ASP A 41 10.745 -7.573 2.196 1.00 0.71 H new ATOM 0 HB2 ASP A 41 10.781 -6.301 4.970 1.00 0.89 H new ATOM 0 HB3 ASP A 41 10.915 -8.026 4.694 1.00 0.89 H new ATOM 612 N SER A 42 8.571 -8.552 3.025 1.00 0.63 N ATOM 613 CA SER A 42 7.232 -9.080 3.267 1.00 0.63 C ATOM 614 C SER A 42 6.728 -8.690 4.655 1.00 0.54 C ATOM 615 O SER A 42 5.579 -8.271 4.820 1.00 0.50 O ATOM 616 CB SER A 42 7.264 -10.598 3.134 1.00 0.77 C ATOM 617 OG SER A 42 8.328 -11.130 3.980 1.00 0.91 O ATOM 0 H SER A 42 9.239 -9.252 2.703 1.00 0.63 H new ATOM 0 HA SER A 42 6.549 -8.655 2.531 1.00 0.63 H new ATOM 0 HB2 SER A 42 6.303 -11.021 3.427 1.00 0.77 H new ATOM 0 HB3 SER A 42 7.433 -10.881 2.095 1.00 0.77 H new ATOM 0 HG SER A 42 8.352 -12.106 3.900 1.00 0.91 H new ATOM 622 N LEU A 43 7.601 -8.830 5.647 1.00 0.57 N ATOM 623 CA LEU A 43 7.285 -8.466 7.024 1.00 0.57 C ATOM 624 C LEU A 43 6.818 -7.015 7.110 1.00 0.48 C ATOM 625 O LEU A 43 5.763 -6.724 7.669 1.00 0.49 O ATOM 626 CB LEU A 43 8.515 -8.667 7.911 1.00 0.68 C ATOM 627 CG LEU A 43 8.309 -8.394 9.403 1.00 0.78 C ATOM 628 CD1 LEU A 43 7.432 -9.471 10.025 1.00 0.90 C ATOM 629 CD2 LEU A 43 9.651 -8.320 10.116 1.00 1.32 C ATOM 0 H LEU A 43 8.544 -9.197 5.520 1.00 0.57 H new ATOM 0 HA LEU A 43 6.477 -9.110 7.372 1.00 0.57 H new ATOM 0 HB2 LEU A 43 8.862 -9.694 7.793 1.00 0.68 H new ATOM 0 HB3 LEU A 43 9.312 -8.018 7.548 1.00 0.68 H new ATOM 0 HG LEU A 43 7.804 -7.434 9.515 1.00 0.78 H new ATOM 0 HD11 LEU A 43 7.296 -9.261 11.086 1.00 0.90 H new ATOM 0 HD12 LEU A 43 6.461 -9.481 9.529 1.00 0.90 H new ATOM 0 HD13 LEU A 43 7.910 -10.443 9.906 1.00 0.90 H new ATOM 0 HD21 LEU A 43 9.489 -8.125 11.176 1.00 1.32 H new ATOM 0 HD22 LEU A 43 10.179 -9.266 9.997 1.00 1.32 H new ATOM 0 HD23 LEU A 43 10.247 -7.515 9.686 1.00 1.32 H new ATOM 641 N ALA A 44 7.606 -6.115 6.539 1.00 0.44 N ATOM 642 CA ALA A 44 7.276 -4.695 6.544 1.00 0.41 C ATOM 643 C ALA A 44 6.022 -4.424 5.721 1.00 0.34 C ATOM 644 O ALA A 44 5.262 -3.500 6.010 1.00 0.36 O ATOM 645 CB ALA A 44 8.446 -3.883 6.007 1.00 0.47 C ATOM 0 H ALA A 44 8.480 -6.343 6.065 1.00 0.44 H new ATOM 0 HA ALA A 44 7.078 -4.393 7.573 1.00 0.41 H new ATOM 0 HB1 ALA A 44 8.188 -2.824 6.015 1.00 0.47 H new ATOM 0 HB2 ALA A 44 9.322 -4.048 6.634 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.667 -4.195 4.986 1.00 0.47 H new ATOM 651 N LEU A 45 5.814 -5.238 4.697 1.00 0.35 N ATOM 652 CA LEU A 45 4.687 -5.065 3.790 1.00 0.35 C ATOM 653 C LEU A 45 3.358 -5.371 4.483 1.00 0.34 C ATOM 654 O LEU A 45 2.391 -4.620 4.337 1.00 0.36 O ATOM 655 CB LEU A 45 4.869 -5.950 2.554 1.00 0.43 C ATOM 656 CG LEU A 45 3.855 -5.731 1.431 1.00 0.48 C ATOM 657 CD1 LEU A 45 3.825 -4.271 1.004 1.00 0.75 C ATOM 658 CD2 LEU A 45 4.186 -6.620 0.245 1.00 0.74 C ATOM 0 H LEU A 45 6.415 -6.031 4.472 1.00 0.35 H new ATOM 0 HA LEU A 45 4.659 -4.021 3.478 1.00 0.35 H new ATOM 0 HB2 LEU A 45 5.869 -5.784 2.154 1.00 0.43 H new ATOM 0 HB3 LEU A 45 4.820 -6.993 2.866 1.00 0.43 H new ATOM 0 HG LEU A 45 2.867 -5.996 1.806 1.00 0.48 H new ATOM 0 HD11 LEU A 45 3.096 -4.141 0.204 1.00 0.75 H new ATOM 0 HD12 LEU A 45 3.546 -3.649 1.854 1.00 0.75 H new ATOM 0 HD13 LEU A 45 4.812 -3.976 0.647 1.00 0.75 H new ATOM 0 HD21 LEU A 45 3.457 -6.455 -0.548 1.00 0.74 H new ATOM 0 HD22 LEU A 45 5.183 -6.379 -0.123 1.00 0.74 H new ATOM 0 HD23 LEU A 45 4.156 -7.665 0.554 1.00 0.74 H new ATOM 670 N MET A 46 3.307 -6.457 5.248 1.00 0.36 N ATOM 671 CA MET A 46 2.077 -6.813 5.949 1.00 0.40 C ATOM 672 C MET A 46 1.781 -5.790 7.046 1.00 0.37 C ATOM 673 O MET A 46 0.623 -5.546 7.385 1.00 0.41 O ATOM 674 CB MET A 46 2.139 -8.235 6.532 1.00 0.49 C ATOM 675 CG MET A 46 3.092 -8.405 7.704 1.00 0.52 C ATOM 676 SD MET A 46 2.852 -9.974 8.563 1.00 1.21 S ATOM 677 CE MET A 46 3.861 -9.725 10.022 1.00 1.26 C ATOM 0 H MET A 46 4.088 -7.096 5.397 1.00 0.36 H new ATOM 0 HA MET A 46 1.265 -6.799 5.223 1.00 0.40 H new ATOM 0 HB2 MET A 46 1.138 -8.525 6.851 1.00 0.49 H new ATOM 0 HB3 MET A 46 2.433 -8.924 5.740 1.00 0.49 H new ATOM 0 HG2 MET A 46 4.119 -8.344 7.345 1.00 0.52 H new ATOM 0 HG3 MET A 46 2.950 -7.584 8.406 1.00 0.52 H new ATOM 0 HE1 MET A 46 4.573 -10.545 10.116 1.00 1.26 H new ATOM 0 HE2 MET A 46 4.402 -8.783 9.934 1.00 1.26 H new ATOM 0 HE3 MET A 46 3.223 -9.696 10.905 1.00 1.26 H new ATOM 687 N GLU A 47 2.837 -5.189 7.595 1.00 0.37 N ATOM 688 CA GLU A 47 2.692 -4.097 8.553 1.00 0.42 C ATOM 689 C GLU A 47 2.100 -2.864 7.871 1.00 0.41 C ATOM 690 O GLU A 47 1.258 -2.165 8.438 1.00 0.47 O ATOM 691 CB GLU A 47 4.040 -3.758 9.193 1.00 0.48 C ATOM 692 CG GLU A 47 4.525 -4.820 10.162 1.00 0.62 C ATOM 693 CD GLU A 47 3.609 -4.972 11.359 1.00 1.21 C ATOM 694 OE1 GLU A 47 2.628 -5.738 11.272 1.00 2.20 O ATOM 695 OE2 GLU A 47 3.855 -4.314 12.389 1.00 1.18 O ATOM 0 H GLU A 47 3.804 -5.442 7.391 1.00 0.37 H new ATOM 0 HA GLU A 47 2.010 -4.419 9.340 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.784 -3.624 8.408 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.957 -2.807 9.718 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.600 -5.775 9.642 1.00 0.62 H new ATOM 0 HG3 GLU A 47 5.527 -4.564 10.505 1.00 0.62 H new ATOM 702 N THR A 48 2.542 -2.620 6.642 1.00 0.37 N ATOM 703 CA THR A 48 2.055 -1.500 5.846 1.00 0.42 C ATOM 704 C THR A 48 0.561 -1.650 5.549 1.00 0.40 C ATOM 705 O THR A 48 -0.179 -0.670 5.540 1.00 0.43 O ATOM 706 CB THR A 48 2.841 -1.385 4.524 1.00 0.45 C ATOM 707 OG1 THR A 48 4.248 -1.286 4.799 1.00 0.47 O ATOM 708 CG2 THR A 48 2.392 -0.170 3.728 1.00 0.54 C ATOM 0 H THR A 48 3.245 -3.190 6.172 1.00 0.37 H new ATOM 0 HA THR A 48 2.207 -0.590 6.427 1.00 0.42 H new ATOM 0 HB THR A 48 2.645 -2.279 3.932 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.588 -2.159 5.086 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.962 -0.112 2.801 1.00 0.54 H new ATOM 0 HG22 THR A 48 1.330 -0.258 3.497 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.562 0.733 4.315 1.00 0.54 H new ATOM 716 N ALA A 49 0.129 -2.884 5.318 1.00 0.40 N ATOM 717 CA ALA A 49 -1.275 -3.169 5.038 1.00 0.39 C ATOM 718 C ALA A 49 -2.173 -2.680 6.173 1.00 0.34 C ATOM 719 O ALA A 49 -3.200 -2.037 5.939 1.00 0.33 O ATOM 720 CB ALA A 49 -1.473 -4.659 4.822 1.00 0.46 C ATOM 0 H ALA A 49 0.732 -3.706 5.319 1.00 0.40 H new ATOM 0 HA ALA A 49 -1.554 -2.635 4.130 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.524 -4.860 4.614 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -0.867 -4.988 3.978 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.171 -5.200 5.719 1.00 0.46 H new ATOM 726 N ALA A 50 -1.749 -2.967 7.402 1.00 0.37 N ATOM 727 CA ALA A 50 -2.517 -2.619 8.593 1.00 0.40 C ATOM 728 C ALA A 50 -2.705 -1.113 8.690 1.00 0.39 C ATOM 729 O ALA A 50 -3.714 -0.633 9.211 1.00 0.44 O ATOM 730 CB ALA A 50 -1.830 -3.156 9.841 1.00 0.49 C ATOM 0 H ALA A 50 -0.869 -3.444 7.599 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.502 -3.079 8.515 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.414 -2.889 10.721 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.750 -4.241 9.774 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.833 -2.723 9.922 1.00 0.49 H new ATOM 736 N ARG A 51 -1.731 -0.376 8.166 1.00 0.37 N ATOM 737 CA ARG A 51 -1.780 1.077 8.160 1.00 0.44 C ATOM 738 C ARG A 51 -3.019 1.566 7.432 1.00 0.40 C ATOM 739 O ARG A 51 -3.822 2.302 7.992 1.00 0.52 O ATOM 740 CB ARG A 51 -0.538 1.645 7.481 1.00 0.52 C ATOM 741 CG ARG A 51 0.749 1.403 8.240 1.00 0.68 C ATOM 742 CD ARG A 51 0.777 2.163 9.550 1.00 0.95 C ATOM 743 NE ARG A 51 2.025 1.930 10.269 1.00 1.47 N ATOM 744 CZ ARG A 51 2.315 2.476 11.446 1.00 1.90 C ATOM 745 NH1 ARG A 51 1.476 3.324 12.020 1.00 1.94 N ATOM 746 NH2 ARG A 51 3.456 2.189 12.049 1.00 2.86 N ATOM 0 H ARG A 51 -0.893 -0.768 7.737 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.816 1.419 9.194 1.00 0.44 H new ATOM 0 HB2 ARG A 51 -0.448 1.207 6.487 1.00 0.52 H new ATOM 0 HB3 ARG A 51 -0.670 2.718 7.345 1.00 0.52 H new ATOM 0 HG2 ARG A 51 0.862 0.337 8.435 1.00 0.68 H new ATOM 0 HG3 ARG A 51 1.597 1.706 7.625 1.00 0.68 H new ATOM 0 HD2 ARG A 51 0.659 3.229 9.357 1.00 0.95 H new ATOM 0 HD3 ARG A 51 -0.065 1.856 10.170 1.00 0.95 H new ATOM 0 HE ARG A 51 2.716 1.312 9.844 1.00 1.47 H new ATOM 0 HH11 ARG A 51 0.598 3.564 11.559 1.00 1.94 H new ATOM 0 HH12 ARG A 51 1.707 3.738 12.923 1.00 1.94 H new ATOM 0 HH21 ARG A 51 4.117 1.547 11.611 1.00 2.86 H new ATOM 0 HH22 ARG A 51 3.676 2.610 12.952 1.00 2.86 H new ATOM 760 N LEU A 52 -3.179 1.120 6.191 1.00 0.32 N ATOM 761 CA LEU A 52 -4.262 1.592 5.339 1.00 0.31 C ATOM 762 C LEU A 52 -5.620 1.262 5.944 1.00 0.27 C ATOM 763 O LEU A 52 -6.514 2.110 5.977 1.00 0.30 O ATOM 764 CB LEU A 52 -4.139 0.982 3.941 1.00 0.35 C ATOM 765 CG LEU A 52 -2.817 1.267 3.229 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.776 0.564 1.882 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.614 2.766 3.055 1.00 0.56 C ATOM 0 H LEU A 52 -2.570 0.430 5.752 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.184 2.676 5.260 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -4.268 -0.098 4.019 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.956 1.357 3.324 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.005 0.880 3.845 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.828 0.778 1.389 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.874 -0.512 2.030 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.597 0.921 1.260 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.667 2.948 2.546 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.430 3.177 2.461 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.599 3.247 4.033 1.00 0.56 H new ATOM 779 N GLU A 53 -5.758 0.040 6.438 1.00 0.25 N ATOM 780 CA GLU A 53 -7.008 -0.409 7.031 1.00 0.26 C ATOM 781 C GLU A 53 -7.387 0.452 8.231 1.00 0.30 C ATOM 782 O GLU A 53 -8.461 1.048 8.254 1.00 0.36 O ATOM 783 CB GLU A 53 -6.908 -1.873 7.436 1.00 0.27 C ATOM 784 CG GLU A 53 -6.702 -2.806 6.257 1.00 0.32 C ATOM 785 CD GLU A 53 -6.596 -4.253 6.679 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.583 -4.621 7.308 1.00 0.51 O ATOM 787 OE2 GLU A 53 -7.539 -5.022 6.397 1.00 0.48 O ATOM 0 H GLU A 53 -5.016 -0.660 6.439 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.793 -0.306 6.282 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -6.081 -1.994 8.136 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.817 -2.160 7.964 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.532 -2.694 5.559 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.796 -2.519 5.724 1.00 0.32 H new ATOM 794 N SER A 54 -6.491 0.546 9.209 1.00 0.36 N ATOM 795 CA SER A 54 -6.757 1.299 10.432 1.00 0.46 C ATOM 796 C SER A 54 -6.917 2.799 10.143 1.00 0.43 C ATOM 797 O SER A 54 -7.696 3.493 10.800 1.00 0.53 O ATOM 798 CB SER A 54 -5.617 1.065 11.433 1.00 0.59 C ATOM 799 OG SER A 54 -5.881 1.681 12.686 1.00 1.42 O ATOM 0 H SER A 54 -5.570 0.108 9.178 1.00 0.36 H new ATOM 0 HA SER A 54 -7.696 0.946 10.859 1.00 0.46 H new ATOM 0 HB2 SER A 54 -5.474 -0.006 11.577 1.00 0.59 H new ATOM 0 HB3 SER A 54 -4.687 1.458 11.023 1.00 0.59 H new ATOM 0 HG SER A 54 -5.135 1.510 13.298 1.00 1.42 H new ATOM 805 N ARG A 55 -6.192 3.277 9.139 1.00 0.37 N ATOM 806 CA ARG A 55 -6.139 4.702 8.810 1.00 0.40 C ATOM 807 C ARG A 55 -7.480 5.202 8.269 1.00 0.40 C ATOM 808 O ARG A 55 -7.921 6.300 8.602 1.00 0.47 O ATOM 809 CB ARG A 55 -5.025 4.917 7.779 1.00 0.47 C ATOM 810 CG ARG A 55 -4.635 6.360 7.502 1.00 0.66 C ATOM 811 CD ARG A 55 -3.309 6.390 6.751 1.00 0.87 C ATOM 812 NE ARG A 55 -2.937 7.719 6.269 1.00 1.14 N ATOM 813 CZ ARG A 55 -1.703 8.222 6.385 1.00 1.64 C ATOM 814 NH1 ARG A 55 -0.799 7.593 7.125 1.00 1.89 N ATOM 815 NH2 ARG A 55 -1.376 9.355 5.785 1.00 2.42 N ATOM 0 H ARG A 55 -5.623 2.691 8.528 1.00 0.37 H new ATOM 0 HA ARG A 55 -5.929 5.274 9.714 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.138 4.381 8.117 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.335 4.460 6.839 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -5.410 6.851 6.914 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -4.548 6.911 8.438 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -2.522 6.017 7.406 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -3.367 5.708 5.902 1.00 0.87 H new ATOM 0 HE ARG A 55 -3.654 8.291 5.822 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -1.045 6.727 7.604 1.00 1.89 H new ATOM 0 HH12 ARG A 55 0.142 7.975 7.214 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -2.068 9.855 5.227 1.00 2.42 H new ATOM 0 HH22 ARG A 55 -0.432 9.729 5.881 1.00 2.42 H new ATOM 829 N TYR A 56 -8.127 4.395 7.437 1.00 0.38 N ATOM 830 CA TYR A 56 -9.364 4.824 6.788 1.00 0.46 C ATOM 831 C TYR A 56 -10.559 3.985 7.217 1.00 0.51 C ATOM 832 O TYR A 56 -11.668 4.167 6.710 1.00 0.71 O ATOM 833 CB TYR A 56 -9.196 4.782 5.270 1.00 0.52 C ATOM 834 CG TYR A 56 -8.109 5.707 4.780 1.00 0.59 C ATOM 835 CD1 TYR A 56 -8.303 7.082 4.757 1.00 0.70 C ATOM 836 CD2 TYR A 56 -6.877 5.212 4.368 1.00 0.66 C ATOM 837 CE1 TYR A 56 -7.308 7.936 4.331 1.00 0.85 C ATOM 838 CE2 TYR A 56 -5.873 6.062 3.945 1.00 0.81 C ATOM 839 CZ TYR A 56 -6.096 7.422 3.929 1.00 0.91 C ATOM 840 OH TYR A 56 -5.099 8.274 3.522 1.00 1.08 O ATOM 0 H TYR A 56 -7.823 3.452 7.197 1.00 0.38 H new ATOM 0 HA TYR A 56 -9.565 5.848 7.102 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -8.966 3.762 4.962 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.139 5.053 4.796 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.250 7.490 5.079 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -6.702 4.146 4.379 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -7.479 9.002 4.313 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -4.920 5.663 3.629 1.00 0.81 H new ATOM 0 HH TYR A 56 -5.187 9.129 3.992 1.00 1.08 H new ATOM 850 N GLY A 57 -10.337 3.081 8.157 1.00 0.41 N ATOM 851 CA GLY A 57 -11.412 2.239 8.650 1.00 0.46 C ATOM 852 C GLY A 57 -11.892 1.242 7.611 1.00 0.43 C ATOM 853 O GLY A 57 -13.088 0.962 7.518 1.00 0.58 O ATOM 0 H GLY A 57 -9.429 2.913 8.591 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.071 1.701 9.535 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.248 2.866 8.960 1.00 0.46 H new ATOM 857 N VAL A 58 -10.961 0.712 6.825 1.00 0.32 N ATOM 858 CA VAL A 58 -11.298 -0.252 5.786 1.00 0.33 C ATOM 859 C VAL A 58 -10.851 -1.656 6.183 1.00 0.33 C ATOM 860 O VAL A 58 -10.449 -1.888 7.323 1.00 0.34 O ATOM 861 CB VAL A 58 -10.677 0.114 4.415 1.00 0.35 C ATOM 862 CG1 VAL A 58 -11.228 1.432 3.909 1.00 0.45 C ATOM 863 CG2 VAL A 58 -9.159 0.180 4.495 1.00 0.30 C ATOM 0 H VAL A 58 -9.968 0.934 6.888 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.383 -0.226 5.683 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.948 -0.674 3.712 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.778 1.669 2.945 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -12.309 1.355 3.795 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -10.994 2.222 4.622 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.754 0.439 3.517 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.866 0.938 5.221 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.768 -0.790 4.804 1.00 0.30 H new ATOM 873 N SER A 59 -10.925 -2.577 5.237 1.00 0.39 N ATOM 874 CA SER A 59 -10.485 -3.941 5.452 1.00 0.49 C ATOM 875 C SER A 59 -10.108 -4.572 4.119 1.00 0.48 C ATOM 876 O SER A 59 -10.896 -4.547 3.172 1.00 0.51 O ATOM 877 CB SER A 59 -11.594 -4.745 6.135 1.00 0.65 C ATOM 878 OG SER A 59 -12.837 -4.563 5.473 1.00 1.62 O ATOM 0 H SER A 59 -11.291 -2.399 4.302 1.00 0.39 H new ATOM 0 HA SER A 59 -9.609 -3.943 6.101 1.00 0.49 H new ATOM 0 HB2 SER A 59 -11.331 -5.803 6.139 1.00 0.65 H new ATOM 0 HB3 SER A 59 -11.684 -4.435 7.176 1.00 0.65 H new ATOM 0 HG SER A 59 -12.705 -4.633 4.504 1.00 1.62 H new ATOM 884 N ILE A 60 -8.908 -5.112 4.043 1.00 0.46 N ATOM 885 CA ILE A 60 -8.424 -5.717 2.814 1.00 0.46 C ATOM 886 C ILE A 60 -8.751 -7.211 2.801 1.00 0.54 C ATOM 887 O ILE A 60 -8.505 -7.909 3.783 1.00 0.60 O ATOM 888 CB ILE A 60 -6.902 -5.500 2.646 1.00 0.44 C ATOM 889 CG1 ILE A 60 -6.580 -4.002 2.709 1.00 0.40 C ATOM 890 CG2 ILE A 60 -6.406 -6.103 1.336 1.00 0.46 C ATOM 891 CD1 ILE A 60 -5.099 -3.687 2.609 1.00 0.45 C ATOM 0 H ILE A 60 -8.247 -5.145 4.819 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.927 -5.234 1.976 1.00 0.46 H new ATOM 0 HB ILE A 60 -6.386 -6.007 3.461 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -7.105 -3.493 1.901 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -6.965 -3.596 3.644 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.333 -5.937 1.242 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -6.609 -7.174 1.328 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.921 -5.630 0.500 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -4.952 -2.608 2.661 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -4.569 -4.166 3.432 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -4.711 -4.061 1.662 1.00 0.45 H new ATOM 903 N PRO A 61 -9.348 -7.705 1.698 1.00 0.59 N ATOM 904 CA PRO A 61 -9.737 -9.113 1.565 1.00 0.69 C ATOM 905 C PRO A 61 -8.592 -10.077 1.863 1.00 0.62 C ATOM 906 O PRO A 61 -7.459 -9.870 1.430 1.00 0.57 O ATOM 907 CB PRO A 61 -10.169 -9.232 0.103 1.00 0.81 C ATOM 908 CG PRO A 61 -10.590 -7.858 -0.278 1.00 0.79 C ATOM 909 CD PRO A 61 -9.710 -6.919 0.504 1.00 0.62 C ATOM 0 HA PRO A 61 -10.517 -9.380 2.278 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -9.350 -9.584 -0.525 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.987 -9.943 -0.012 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.474 -7.698 -1.350 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.641 -7.693 -0.043 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -8.829 -6.626 -0.066 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -10.237 -6.003 0.771 1.00 0.62 H new ATOM 917 N ASP A 62 -8.928 -11.144 2.580 1.00 0.76 N ATOM 918 CA ASP A 62 -7.953 -12.118 3.071 1.00 0.82 C ATOM 919 C ASP A 62 -7.081 -12.685 1.952 1.00 0.67 C ATOM 920 O ASP A 62 -5.855 -12.630 2.024 1.00 0.77 O ATOM 921 CB ASP A 62 -8.697 -13.253 3.779 1.00 1.11 C ATOM 922 CG ASP A 62 -7.778 -14.321 4.344 1.00 1.39 C ATOM 923 OD1 ASP A 62 -7.303 -14.156 5.485 1.00 1.96 O ATOM 924 OD2 ASP A 62 -7.563 -15.347 3.667 1.00 1.99 O ATOM 0 H ASP A 62 -9.890 -11.361 2.840 1.00 0.76 H new ATOM 0 HA ASP A 62 -7.286 -11.606 3.765 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -9.295 -12.835 4.588 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -9.390 -13.716 3.077 1.00 1.11 H new ATOM 929 N ASP A 63 -7.715 -13.205 0.912 1.00 0.66 N ATOM 930 CA ASP A 63 -6.985 -13.834 -0.185 1.00 0.71 C ATOM 931 C ASP A 63 -6.401 -12.790 -1.131 1.00 0.58 C ATOM 932 O ASP A 63 -5.283 -12.937 -1.614 1.00 0.62 O ATOM 933 CB ASP A 63 -7.907 -14.783 -0.959 1.00 0.96 C ATOM 934 CG ASP A 63 -7.224 -15.417 -2.157 1.00 1.67 C ATOM 935 OD1 ASP A 63 -6.418 -16.352 -1.965 1.00 2.03 O ATOM 936 OD2 ASP A 63 -7.488 -14.979 -3.295 1.00 2.44 O ATOM 0 H ASP A 63 -8.729 -13.206 0.802 1.00 0.66 H new ATOM 0 HA ASP A 63 -6.161 -14.403 0.244 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -8.259 -15.568 -0.289 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -8.786 -14.234 -1.296 1.00 0.96 H new ATOM 941 N VAL A 64 -7.146 -11.717 -1.361 1.00 0.57 N ATOM 942 CA VAL A 64 -6.751 -10.707 -2.343 1.00 0.58 C ATOM 943 C VAL A 64 -5.566 -9.870 -1.849 1.00 0.53 C ATOM 944 O VAL A 64 -4.855 -9.253 -2.644 1.00 0.59 O ATOM 945 CB VAL A 64 -7.941 -9.780 -2.688 1.00 0.73 C ATOM 946 CG1 VAL A 64 -7.584 -8.783 -3.784 1.00 1.10 C ATOM 947 CG2 VAL A 64 -9.149 -10.599 -3.101 1.00 1.14 C ATOM 0 H VAL A 64 -8.026 -11.521 -0.884 1.00 0.57 H new ATOM 0 HA VAL A 64 -6.441 -11.238 -3.243 1.00 0.58 H new ATOM 0 HB VAL A 64 -8.183 -9.213 -1.789 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -8.447 -8.151 -3.996 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -6.752 -8.162 -3.454 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -7.298 -9.322 -4.687 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -9.977 -9.931 -3.340 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -8.901 -11.197 -3.978 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -9.439 -11.258 -2.282 1.00 1.14 H new ATOM 957 N ALA A 65 -5.345 -9.873 -0.537 1.00 0.52 N ATOM 958 CA ALA A 65 -4.261 -9.098 0.060 1.00 0.58 C ATOM 959 C ALA A 65 -2.906 -9.523 -0.485 1.00 0.56 C ATOM 960 O ALA A 65 -2.073 -8.691 -0.833 1.00 0.68 O ATOM 961 CB ALA A 65 -4.274 -9.230 1.576 1.00 0.67 C ATOM 0 H ALA A 65 -5.902 -10.403 0.133 1.00 0.52 H new ATOM 0 HA ALA A 65 -4.424 -8.054 -0.207 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -3.458 -8.644 1.999 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -5.224 -8.863 1.965 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -4.150 -10.277 1.851 1.00 0.67 H new ATOM 967 N GLY A 66 -2.706 -10.825 -0.578 1.00 0.50 N ATOM 968 CA GLY A 66 -1.429 -11.357 -1.021 1.00 0.56 C ATOM 969 C GLY A 66 -1.406 -11.668 -2.502 1.00 0.58 C ATOM 970 O GLY A 66 -0.750 -12.617 -2.932 1.00 0.77 O ATOM 0 H GLY A 66 -3.407 -11.531 -0.354 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -0.642 -10.638 -0.793 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -1.204 -12.264 -0.460 1.00 0.56 H new ATOM 974 N ARG A 67 -2.119 -10.875 -3.290 1.00 0.55 N ATOM 975 CA ARG A 67 -2.172 -11.094 -4.729 1.00 0.63 C ATOM 976 C ARG A 67 -1.956 -9.788 -5.485 1.00 0.58 C ATOM 977 O ARG A 67 -2.127 -9.725 -6.704 1.00 0.78 O ATOM 978 CB ARG A 67 -3.510 -11.731 -5.127 1.00 0.77 C ATOM 979 CG ARG A 67 -3.821 -13.002 -4.353 1.00 0.93 C ATOM 980 CD ARG A 67 -5.109 -13.657 -4.821 1.00 1.10 C ATOM 981 NE ARG A 67 -4.935 -14.368 -6.089 1.00 1.82 N ATOM 982 CZ ARG A 67 -5.536 -15.523 -6.380 1.00 2.63 C ATOM 983 NH1 ARG A 67 -6.368 -16.080 -5.504 1.00 2.86 N ATOM 984 NH2 ARG A 67 -5.303 -16.121 -7.541 1.00 3.63 N ATOM 0 H ARG A 67 -2.665 -10.079 -2.960 1.00 0.55 H new ATOM 0 HA ARG A 67 -1.368 -11.779 -4.998 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -4.311 -11.010 -4.965 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -3.495 -11.957 -6.193 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -2.996 -13.705 -4.466 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -3.899 -12.769 -3.291 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -5.458 -14.354 -4.060 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -5.882 -12.897 -4.935 1.00 1.10 H new ATOM 0 HE ARG A 67 -4.319 -13.957 -6.790 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -6.547 -15.624 -4.609 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -6.827 -16.963 -5.727 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -4.663 -15.698 -8.213 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -5.764 -17.004 -7.761 1.00 3.63 H new ATOM 998 N VAL A 68 -1.569 -8.751 -4.758 1.00 0.50 N ATOM 999 CA VAL A 68 -1.256 -7.467 -5.372 1.00 0.48 C ATOM 1000 C VAL A 68 0.242 -7.374 -5.659 1.00 0.54 C ATOM 1001 O VAL A 68 1.070 -7.660 -4.793 1.00 0.95 O ATOM 1002 CB VAL A 68 -1.700 -6.287 -4.480 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -3.216 -6.223 -4.406 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -1.110 -6.403 -3.082 1.00 0.89 C ATOM 0 H VAL A 68 -1.464 -8.772 -3.744 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.808 -7.402 -6.309 1.00 0.48 H new ATOM 0 HB VAL A 68 -1.328 -5.366 -4.930 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -3.514 -5.387 -3.774 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -3.624 -6.085 -5.407 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -3.599 -7.152 -3.983 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -1.440 -5.559 -2.477 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -1.445 -7.332 -2.622 1.00 0.89 H new ATOM 0 HG23 VAL A 68 -0.022 -6.401 -3.145 1.00 0.89 H new ATOM 1014 N ASP A 69 0.589 -7.011 -6.885 1.00 0.38 N ATOM 1015 CA ASP A 69 1.989 -6.982 -7.298 1.00 0.43 C ATOM 1016 C ASP A 69 2.569 -5.571 -7.221 1.00 0.34 C ATOM 1017 O ASP A 69 3.687 -5.371 -6.736 1.00 0.41 O ATOM 1018 CB ASP A 69 2.117 -7.540 -8.717 1.00 0.65 C ATOM 1019 CG ASP A 69 3.551 -7.829 -9.112 1.00 0.97 C ATOM 1020 OD1 ASP A 69 4.325 -8.303 -8.253 1.00 1.75 O ATOM 1021 OD2 ASP A 69 3.903 -7.610 -10.293 1.00 1.65 O ATOM 0 H ASP A 69 -0.073 -6.733 -7.609 1.00 0.38 H new ATOM 0 HA ASP A 69 2.562 -7.605 -6.611 1.00 0.43 H new ATOM 0 HB2 ASP A 69 1.533 -8.457 -8.795 1.00 0.65 H new ATOM 0 HB3 ASP A 69 1.688 -6.828 -9.422 1.00 0.65 H new ATOM 1026 N THR A 70 1.812 -4.596 -7.701 1.00 0.34 N ATOM 1027 CA THR A 70 2.245 -3.207 -7.663 1.00 0.31 C ATOM 1028 C THR A 70 1.298 -2.356 -6.811 1.00 0.28 C ATOM 1029 O THR A 70 0.135 -2.719 -6.612 1.00 0.28 O ATOM 1030 CB THR A 70 2.322 -2.610 -9.082 1.00 0.39 C ATOM 1031 OG1 THR A 70 1.048 -2.726 -9.726 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.383 -3.312 -9.918 1.00 0.44 C ATOM 0 H THR A 70 0.894 -4.741 -8.122 1.00 0.34 H new ATOM 0 HA THR A 70 3.238 -3.194 -7.215 1.00 0.31 H new ATOM 0 HB THR A 70 2.596 -1.559 -8.994 1.00 0.39 H new ATOM 0 HG1 THR A 70 0.944 -3.632 -10.084 1.00 0.50 H new ATOM 0 HG21 THR A 70 3.414 -2.869 -10.913 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.356 -3.199 -9.440 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.140 -4.371 -10.000 1.00 0.44 H new ATOM 1040 N PRO A 71 1.797 -1.230 -6.269 1.00 0.29 N ATOM 1041 CA PRO A 71 0.979 -0.263 -5.520 1.00 0.29 C ATOM 1042 C PRO A 71 -0.307 0.121 -6.248 1.00 0.27 C ATOM 1043 O PRO A 71 -1.349 0.301 -5.618 1.00 0.28 O ATOM 1044 CB PRO A 71 1.904 0.947 -5.403 1.00 0.34 C ATOM 1045 CG PRO A 71 3.271 0.361 -5.388 1.00 0.38 C ATOM 1046 CD PRO A 71 3.218 -0.827 -6.308 1.00 0.35 C ATOM 0 HA PRO A 71 0.644 -0.669 -4.565 1.00 0.29 H new ATOM 0 HB2 PRO A 71 1.773 1.631 -6.242 1.00 0.34 H new ATOM 0 HB3 PRO A 71 1.704 1.515 -4.494 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.011 1.086 -5.728 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.557 0.062 -4.380 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.534 -0.567 -7.318 1.00 0.35 H new ATOM 0 HD3 PRO A 71 3.872 -1.629 -5.966 1.00 0.35 H new ATOM 1054 N ARG A 72 -0.221 0.251 -7.576 1.00 0.32 N ATOM 1055 CA ARG A 72 -1.381 0.584 -8.402 1.00 0.37 C ATOM 1056 C ARG A 72 -2.542 -0.350 -8.104 1.00 0.35 C ATOM 1057 O ARG A 72 -3.651 0.090 -7.838 1.00 0.38 O ATOM 1058 CB ARG A 72 -1.029 0.487 -9.883 1.00 0.49 C ATOM 1059 CG ARG A 72 -2.222 0.722 -10.803 1.00 0.83 C ATOM 1060 CD ARG A 72 -1.804 0.802 -12.258 1.00 1.15 C ATOM 1061 NE ARG A 72 -1.049 2.024 -12.528 1.00 1.76 N ATOM 1062 CZ ARG A 72 0.169 2.066 -13.072 1.00 2.72 C ATOM 1063 NH1 ARG A 72 0.776 0.961 -13.498 1.00 3.22 N ATOM 1064 NH2 ARG A 72 0.771 3.237 -13.224 1.00 3.56 N ATOM 0 H ARG A 72 0.645 0.130 -8.101 1.00 0.32 H new ATOM 0 HA ARG A 72 -1.674 1.607 -8.165 1.00 0.37 H new ATOM 0 HB2 ARG A 72 -0.252 1.216 -10.113 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -0.611 -0.499 -10.086 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -2.943 -0.085 -10.676 1.00 0.83 H new ATOM 0 HG3 ARG A 72 -2.724 1.646 -10.518 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -1.197 -0.067 -12.512 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -2.688 0.770 -12.895 1.00 1.15 H new ATOM 0 HE ARG A 72 -1.486 2.912 -12.282 1.00 1.76 H new ATOM 0 HH11 ARG A 72 0.310 0.058 -13.412 1.00 3.22 H new ATOM 0 HH12 ARG A 72 1.707 1.017 -13.911 1.00 3.22 H new ATOM 0 HH21 ARG A 72 0.303 4.093 -12.926 1.00 3.56 H new ATOM 0 HH22 ARG A 72 1.702 3.282 -13.638 1.00 3.56 H new ATOM 1078 N GLU A 73 -2.255 -1.642 -8.138 1.00 0.36 N ATOM 1079 CA GLU A 73 -3.265 -2.669 -7.903 1.00 0.39 C ATOM 1080 C GLU A 73 -3.859 -2.527 -6.511 1.00 0.36 C ATOM 1081 O GLU A 73 -5.077 -2.506 -6.345 1.00 0.38 O ATOM 1082 CB GLU A 73 -2.639 -4.051 -8.050 1.00 0.47 C ATOM 1083 CG GLU A 73 -2.070 -4.310 -9.428 1.00 0.56 C ATOM 1084 CD GLU A 73 -1.011 -5.386 -9.402 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -1.276 -6.472 -8.855 1.00 1.91 O ATOM 1086 OE2 GLU A 73 0.106 -5.124 -9.886 1.00 2.43 O ATOM 0 H GLU A 73 -1.323 -2.009 -8.328 1.00 0.36 H new ATOM 0 HA GLU A 73 -4.060 -2.547 -8.638 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -1.846 -4.163 -7.311 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.391 -4.808 -7.828 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -2.873 -4.606 -10.103 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -1.643 -3.389 -9.824 1.00 0.56 H new ATOM 1093 N LEU A 74 -2.981 -2.415 -5.520 1.00 0.33 N ATOM 1094 CA LEU A 74 -3.397 -2.283 -4.130 1.00 0.34 C ATOM 1095 C LEU A 74 -4.324 -1.074 -3.976 1.00 0.33 C ATOM 1096 O LEU A 74 -5.428 -1.186 -3.441 1.00 0.36 O ATOM 1097 CB LEU A 74 -2.158 -2.129 -3.240 1.00 0.34 C ATOM 1098 CG LEU A 74 -2.234 -2.810 -1.869 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -0.911 -2.665 -1.138 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -3.360 -2.226 -1.031 1.00 0.98 C ATOM 0 H LEU A 74 -1.970 -2.413 -5.656 1.00 0.33 H new ATOM 0 HA LEU A 74 -3.942 -3.176 -3.825 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -1.297 -2.528 -3.776 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -1.973 -1.066 -3.087 1.00 0.34 H new ATOM 0 HG LEU A 74 -2.440 -3.869 -2.027 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -0.977 -3.153 -0.165 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -0.119 -3.130 -1.724 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -0.686 -1.608 -0.999 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -3.391 -2.727 -0.064 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -3.188 -1.160 -0.882 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -4.310 -2.371 -1.546 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.868 0.074 -4.463 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.648 1.305 -4.415 1.00 0.33 C ATOM 1114 C LEU A 75 -5.975 1.151 -5.157 1.00 0.35 C ATOM 1115 O LEU A 75 -7.047 1.408 -4.602 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.839 2.447 -5.035 1.00 0.35 C ATOM 1117 CG LEU A 75 -4.524 3.817 -5.039 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -4.735 4.320 -3.621 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -3.702 4.815 -5.844 1.00 0.91 C ATOM 0 H LEU A 75 -2.952 0.178 -4.900 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.868 1.530 -3.371 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.895 2.534 -4.496 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.596 2.179 -6.063 1.00 0.35 H new ATOM 0 HG LEU A 75 -5.502 3.711 -5.509 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -5.223 5.294 -3.649 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -5.362 3.616 -3.075 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -3.771 4.411 -3.120 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -4.200 5.785 -5.839 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -2.712 4.913 -5.399 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -3.605 4.462 -6.871 1.00 0.91 H new ATOM 1131 N ASP A 76 -5.888 0.716 -6.409 1.00 0.39 N ATOM 1132 CA ASP A 76 -7.042 0.623 -7.298 1.00 0.44 C ATOM 1133 C ASP A 76 -8.139 -0.261 -6.707 1.00 0.40 C ATOM 1134 O ASP A 76 -9.320 0.084 -6.756 1.00 0.43 O ATOM 1135 CB ASP A 76 -6.598 0.080 -8.659 1.00 0.55 C ATOM 1136 CG ASP A 76 -7.687 0.142 -9.709 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -7.780 1.167 -10.417 1.00 1.16 O ATOM 1138 OD2 ASP A 76 -8.444 -0.840 -9.844 1.00 1.43 O ATOM 0 H ASP A 76 -5.012 0.417 -6.838 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.459 1.623 -7.421 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -5.735 0.648 -9.006 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -6.273 -0.954 -8.542 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.743 -1.391 -6.131 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.694 -2.312 -5.517 1.00 0.38 C ATOM 1145 C LEU A 77 -9.411 -1.662 -4.340 1.00 0.34 C ATOM 1146 O LEU A 77 -10.627 -1.803 -4.193 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.993 -3.594 -5.063 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.449 -4.466 -6.196 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -6.741 -5.690 -5.637 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -8.571 -4.884 -7.134 1.00 1.66 C ATOM 0 H LEU A 77 -6.770 -1.692 -6.076 1.00 0.37 H new ATOM 0 HA LEU A 77 -9.438 -2.568 -6.272 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -7.168 -3.326 -4.403 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -8.694 -4.185 -4.474 1.00 0.46 H new ATOM 0 HG LEU A 77 -6.726 -3.879 -6.762 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -6.361 -6.297 -6.458 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -5.911 -5.373 -5.006 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -7.443 -6.278 -5.045 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -8.165 -5.504 -7.934 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -9.317 -5.452 -6.578 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -9.036 -3.997 -7.563 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.666 -0.940 -3.510 1.00 0.31 N ATOM 1163 CA ILE A 78 -9.259 -0.249 -2.371 1.00 0.31 C ATOM 1164 C ILE A 78 -10.175 0.875 -2.859 1.00 0.34 C ATOM 1165 O ILE A 78 -11.278 1.064 -2.338 1.00 0.41 O ATOM 1166 CB ILE A 78 -8.181 0.321 -1.417 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -7.274 -0.803 -0.907 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.839 1.040 -0.242 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -6.185 -0.332 0.030 1.00 0.40 C ATOM 0 H ILE A 78 -7.658 -0.818 -3.603 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.844 -0.978 -1.810 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.573 1.038 -1.969 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.885 -1.546 -0.394 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.815 -1.302 -1.760 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -8.069 1.435 0.420 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -9.453 1.860 -0.615 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -9.466 0.339 0.309 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.585 -1.184 0.348 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.549 0.388 -0.484 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.635 0.141 0.903 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.723 1.608 -3.876 1.00 0.36 N ATOM 1182 CA ASN A 79 -10.536 2.668 -4.483 1.00 0.44 C ATOM 1183 C ASN A 79 -11.831 2.091 -5.043 1.00 0.44 C ATOM 1184 O ASN A 79 -12.879 2.734 -4.994 1.00 0.49 O ATOM 1185 CB ASN A 79 -9.776 3.387 -5.605 1.00 0.53 C ATOM 1186 CG ASN A 79 -8.587 4.196 -5.119 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -7.615 4.377 -5.845 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -8.654 4.692 -3.892 1.00 0.78 N ATOM 0 H ASN A 79 -8.802 1.490 -4.298 1.00 0.36 H new ATOM 0 HA ASN A 79 -10.765 3.391 -3.700 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -9.430 2.648 -6.328 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.464 4.049 -6.131 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -7.881 5.245 -3.523 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -9.479 4.521 -3.317 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.754 0.877 -5.576 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.933 0.211 -6.100 1.00 0.47 C ATOM 1197 C GLY A 80 -13.949 -0.084 -5.016 1.00 0.48 C ATOM 1198 O GLY A 80 -15.154 0.043 -5.232 1.00 0.54 O ATOM 0 H GLY A 80 -10.891 0.339 -5.655 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -13.392 0.836 -6.866 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.638 -0.720 -6.583 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.457 -0.460 -3.844 1.00 0.49 N ATOM 1203 CA ALA A 81 -14.322 -0.755 -2.711 1.00 0.56 C ATOM 1204 C ALA A 81 -14.921 0.531 -2.156 1.00 0.61 C ATOM 1205 O ALA A 81 -16.064 0.552 -1.703 1.00 0.73 O ATOM 1206 CB ALA A 81 -13.546 -1.498 -1.632 1.00 0.60 C ATOM 0 H ALA A 81 -12.461 -0.568 -3.653 1.00 0.49 H new ATOM 0 HA ALA A 81 -15.137 -1.396 -3.049 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -14.206 -1.712 -0.791 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -13.162 -2.433 -2.039 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -12.714 -0.881 -1.292 1.00 0.60 H new ATOM 1212 N LEU A 82 -14.145 1.603 -2.215 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.594 2.904 -1.745 1.00 0.64 C ATOM 1214 C LEU A 82 -15.657 3.479 -2.677 1.00 0.70 C ATOM 1215 O LEU A 82 -16.613 4.108 -2.225 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.402 3.853 -1.628 1.00 0.64 C ATOM 1217 CG LEU A 82 -12.344 3.425 -0.608 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -11.133 4.340 -0.666 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -12.939 3.414 0.795 1.00 0.85 C ATOM 0 H LEU A 82 -13.195 1.596 -2.586 1.00 0.57 H new ATOM 0 HA LEU A 82 -15.045 2.785 -0.760 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -12.929 3.944 -2.606 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -13.768 4.844 -1.358 1.00 0.64 H new ATOM 0 HG LEU A 82 -12.016 2.416 -0.857 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -10.396 4.015 0.068 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -10.694 4.300 -1.663 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -11.439 5.363 -0.445 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -12.176 3.108 1.511 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -13.294 4.413 1.048 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -13.773 2.713 0.831 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.487 3.263 -3.979 1.00 0.63 N ATOM 1232 CA ALA A 83 -16.483 3.684 -4.963 1.00 0.71 C ATOM 1233 C ALA A 83 -17.766 2.866 -4.813 1.00 0.85 C ATOM 1234 O ALA A 83 -18.869 3.361 -5.063 1.00 1.05 O ATOM 1235 CB ALA A 83 -15.929 3.550 -6.376 1.00 0.70 C ATOM 0 H ALA A 83 -14.670 2.800 -4.378 1.00 0.63 H new ATOM 0 HA ALA A 83 -16.720 4.733 -4.783 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -16.684 3.868 -7.095 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -15.043 4.176 -6.480 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -15.663 2.510 -6.565 1.00 0.70 H new