USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 LYS NZ :NH3+ 166:sc= 1.64 (180deg=0.935) USER MOD Set 1.2: A 29 HIS : no HE2:sc= -1.39 K(o=0.24,f=-5.4) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc=-0.00427 USER MOD Set 2.2: A 15 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 13 MET CE :methyl -168:sc= 0 (180deg=-0.0676) USER MOD Set 3.2: A 42 ASN : amide:sc= 2.05 K(o=2,f=-0.069) USER MOD Single : A 17 SER OG : rot 180:sc= 0.078 USER MOD Single : A 18 CYS SG : rot 103:sc= 0.337 USER MOD Single : A 20 HIS : no HD1:sc= -0.532 X(o=-0.53,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= 1.26 (180deg=0.221) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 100:sc= -0.0123 USER MOD Single : A 27 THR OG1 : rot 85:sc= 1.03 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -80:sc= -1.7 USER MOD Single : A 36 SER OG : rot 125:sc= 1.19 USER MOD Single : A 41 THR OG1 : rot 22:sc= 0.403 USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= 1.21 (180deg=1.11) USER MOD Single : A 45 HIS : no HE2:sc= 0.127 K(o=0.13,f=-7!) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0793) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.14 K(o=1.1,f=-11!) USER MOD Single : A 61 THR OG1 : rot 81:sc= 1.17 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 12:sc= 1.41 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 4.434 3.719 -12.725 1.00 1.33 N ATOM 40 CA GLY A 4 5.126 3.026 -11.655 1.00 1.14 C ATOM 41 C GLY A 4 4.100 2.282 -10.789 1.00 0.96 C ATOM 42 O GLY A 4 2.901 2.575 -10.828 1.00 1.64 O ATOM 0 HA2 GLY A 4 5.849 2.323 -12.069 1.00 1.14 H new ATOM 0 HA3 GLY A 4 5.685 3.737 -11.047 1.00 1.14 H new ATOM 46 N VAL A 5 4.553 1.285 -10.026 1.00 0.86 N ATOM 47 CA VAL A 5 3.662 0.420 -9.273 1.00 0.93 C ATOM 48 C VAL A 5 4.401 -0.175 -8.078 1.00 0.98 C ATOM 49 O VAL A 5 5.601 -0.431 -8.149 1.00 1.27 O ATOM 50 CB VAL A 5 3.058 -0.648 -10.206 1.00 1.04 C ATOM 51 CG1 VAL A 5 4.124 -1.543 -10.855 1.00 1.94 C ATOM 52 CG2 VAL A 5 2.033 -1.521 -9.473 1.00 2.19 C ATOM 0 H VAL A 5 5.542 1.061 -9.917 1.00 0.86 H new ATOM 0 HA VAL A 5 2.828 0.995 -8.871 1.00 0.93 H new ATOM 0 HB VAL A 5 2.556 -0.096 -11.001 1.00 1.04 H new ATOM 0 HG11 VAL A 5 3.640 -2.276 -11.501 1.00 1.94 H new ATOM 0 HG12 VAL A 5 4.803 -0.929 -11.447 1.00 1.94 H new ATOM 0 HG13 VAL A 5 4.687 -2.060 -10.078 1.00 1.94 H new ATOM 0 HG21 VAL A 5 1.628 -2.263 -10.162 1.00 2.19 H new ATOM 0 HG22 VAL A 5 2.517 -2.027 -8.638 1.00 2.19 H new ATOM 0 HG23 VAL A 5 1.224 -0.895 -9.097 1.00 2.19 H new ATOM 62 N LEU A 6 3.664 -0.378 -6.986 1.00 0.86 N ATOM 63 CA LEU A 6 4.054 -1.071 -5.777 1.00 0.93 C ATOM 64 C LEU A 6 2.997 -2.156 -5.569 1.00 0.61 C ATOM 65 O LEU A 6 1.825 -1.821 -5.396 1.00 0.78 O ATOM 66 CB LEU A 6 4.067 -0.071 -4.609 1.00 1.33 C ATOM 67 CG LEU A 6 4.941 -0.503 -3.424 1.00 1.50 C ATOM 68 CD1 LEU A 6 6.407 -0.144 -3.698 1.00 2.01 C ATOM 69 CD2 LEU A 6 4.486 0.237 -2.163 1.00 2.73 C ATOM 0 H LEU A 6 2.706 -0.032 -6.928 1.00 0.86 H new ATOM 0 HA LEU A 6 5.050 -1.510 -5.840 1.00 0.93 H new ATOM 0 HB2 LEU A 6 4.420 0.893 -4.974 1.00 1.33 H new ATOM 0 HB3 LEU A 6 3.045 0.075 -4.259 1.00 1.33 H new ATOM 0 HG LEU A 6 4.845 -1.580 -3.287 1.00 1.50 H new ATOM 0 HD11 LEU A 6 7.022 -0.454 -2.853 1.00 2.01 H new ATOM 0 HD12 LEU A 6 6.745 -0.656 -4.599 1.00 2.01 H new ATOM 0 HD13 LEU A 6 6.498 0.933 -3.837 1.00 2.01 H new ATOM 0 HD21 LEU A 6 5.105 -0.068 -1.319 1.00 2.73 H new ATOM 0 HD22 LEU A 6 4.585 1.312 -2.316 1.00 2.73 H new ATOM 0 HD23 LEU A 6 3.444 -0.006 -1.955 1.00 2.73 H new ATOM 81 N GLU A 7 3.382 -3.434 -5.619 1.00 0.63 N ATOM 82 CA GLU A 7 2.517 -4.539 -5.225 1.00 0.56 C ATOM 83 C GLU A 7 3.190 -5.295 -4.115 1.00 0.68 C ATOM 84 O GLU A 7 4.152 -6.022 -4.360 1.00 0.96 O ATOM 85 CB GLU A 7 2.186 -5.489 -6.374 1.00 0.71 C ATOM 86 CG GLU A 7 1.116 -4.788 -7.185 1.00 1.19 C ATOM 87 CD GLU A 7 0.617 -5.616 -8.354 1.00 1.15 C ATOM 88 OE1 GLU A 7 1.435 -5.946 -9.235 1.00 2.53 O ATOM 89 OE2 GLU A 7 -0.601 -5.924 -8.321 1.00 1.63 O ATOM 0 H GLU A 7 4.306 -3.728 -5.935 1.00 0.63 H new ATOM 0 HA GLU A 7 1.567 -4.116 -4.898 1.00 0.56 H new ATOM 0 HB2 GLU A 7 3.068 -5.692 -6.981 1.00 0.71 H new ATOM 0 HB3 GLU A 7 1.829 -6.448 -5.999 1.00 0.71 H new ATOM 0 HG2 GLU A 7 0.276 -4.546 -6.534 1.00 1.19 H new ATOM 0 HG3 GLU A 7 1.512 -3.844 -7.559 1.00 1.19 H new ATOM 96 N LEU A 8 2.649 -5.123 -2.916 1.00 0.63 N ATOM 97 CA LEU A 8 3.067 -5.857 -1.751 1.00 0.79 C ATOM 98 C LEU A 8 1.895 -6.649 -1.207 1.00 0.64 C ATOM 99 O LEU A 8 0.763 -6.170 -1.252 1.00 0.51 O ATOM 100 CB LEU A 8 3.727 -4.909 -0.736 1.00 1.02 C ATOM 101 CG LEU A 8 2.945 -3.644 -0.334 1.00 0.99 C ATOM 102 CD1 LEU A 8 1.941 -3.914 0.794 1.00 2.19 C ATOM 103 CD2 LEU A 8 3.945 -2.593 0.157 1.00 1.61 C ATOM 0 H LEU A 8 1.898 -4.458 -2.733 1.00 0.63 H new ATOM 0 HA LEU A 8 3.835 -6.588 -2.004 1.00 0.79 H new ATOM 0 HB2 LEU A 8 3.935 -5.478 0.170 1.00 1.02 H new ATOM 0 HB3 LEU A 8 4.688 -4.595 -1.144 1.00 1.02 H new ATOM 0 HG LEU A 8 2.389 -3.302 -1.207 1.00 0.99 H new ATOM 0 HD11 LEU A 8 1.415 -2.992 1.041 1.00 2.19 H new ATOM 0 HD12 LEU A 8 1.222 -4.666 0.469 1.00 2.19 H new ATOM 0 HD13 LEU A 8 2.472 -4.276 1.674 1.00 2.19 H new ATOM 0 HD21 LEU A 8 3.410 -1.689 0.447 1.00 1.61 H new ATOM 0 HD22 LEU A 8 4.490 -2.983 1.017 1.00 1.61 H new ATOM 0 HD23 LEU A 8 4.648 -2.358 -0.642 1.00 1.61 H new ATOM 115 N VAL A 9 2.179 -7.847 -0.699 1.00 0.77 N ATOM 116 CA VAL A 9 1.290 -8.568 0.183 1.00 0.72 C ATOM 117 C VAL A 9 1.416 -7.894 1.545 1.00 0.60 C ATOM 118 O VAL A 9 2.517 -7.525 1.959 1.00 0.71 O ATOM 119 CB VAL A 9 1.653 -10.063 0.214 1.00 0.90 C ATOM 120 CG1 VAL A 9 1.039 -10.796 1.415 1.00 2.29 C ATOM 121 CG2 VAL A 9 1.130 -10.724 -1.068 1.00 1.75 C ATOM 0 H VAL A 9 3.048 -8.343 -0.897 1.00 0.77 H new ATOM 0 HA VAL A 9 0.254 -8.534 -0.153 1.00 0.72 H new ATOM 0 HB VAL A 9 2.738 -10.133 0.296 1.00 0.90 H new ATOM 0 HG11 VAL A 9 1.328 -11.847 1.386 1.00 2.29 H new ATOM 0 HG12 VAL A 9 1.400 -10.345 2.340 1.00 2.29 H new ATOM 0 HG13 VAL A 9 -0.047 -10.717 1.373 1.00 2.29 H new ATOM 0 HG21 VAL A 9 1.381 -11.785 -1.059 1.00 1.75 H new ATOM 0 HG22 VAL A 9 0.048 -10.608 -1.122 1.00 1.75 H new ATOM 0 HG23 VAL A 9 1.590 -10.250 -1.935 1.00 1.75 H new ATOM 131 N VAL A 10 0.273 -7.688 2.197 1.00 0.55 N ATOM 132 CA VAL A 10 0.126 -6.994 3.459 1.00 0.47 C ATOM 133 C VAL A 10 -0.609 -7.945 4.407 1.00 0.59 C ATOM 134 O VAL A 10 -1.670 -8.464 4.061 1.00 1.03 O ATOM 135 CB VAL A 10 -0.581 -5.647 3.216 1.00 0.58 C ATOM 136 CG1 VAL A 10 -1.993 -5.761 2.628 1.00 2.15 C ATOM 137 CG2 VAL A 10 -0.570 -4.796 4.488 1.00 2.26 C ATOM 0 H VAL A 10 -0.619 -8.022 1.833 1.00 0.55 H new ATOM 0 HA VAL A 10 1.077 -6.737 3.925 1.00 0.47 H new ATOM 0 HB VAL A 10 -0.000 -5.145 2.442 1.00 0.58 H new ATOM 0 HG11 VAL A 10 -2.412 -4.764 2.491 1.00 2.15 H new ATOM 0 HG12 VAL A 10 -1.946 -6.270 1.665 1.00 2.15 H new ATOM 0 HG13 VAL A 10 -2.626 -6.330 3.309 1.00 2.15 H new ATOM 0 HG21 VAL A 10 -1.074 -3.849 4.296 1.00 2.26 H new ATOM 0 HG22 VAL A 10 -1.088 -5.328 5.286 1.00 2.26 H new ATOM 0 HG23 VAL A 10 0.460 -4.605 4.789 1.00 2.26 H new ATOM 147 N ARG A 11 0.001 -8.245 5.555 1.00 0.52 N ATOM 148 CA ARG A 11 -0.411 -9.326 6.440 1.00 0.59 C ATOM 149 C ARG A 11 -1.139 -8.780 7.664 1.00 0.72 C ATOM 150 O ARG A 11 -0.899 -7.650 8.090 1.00 1.00 O ATOM 151 CB ARG A 11 0.827 -10.116 6.884 1.00 0.74 C ATOM 152 CG ARG A 11 1.584 -10.726 5.697 1.00 1.38 C ATOM 153 CD ARG A 11 2.893 -11.356 6.185 1.00 1.56 C ATOM 154 NE ARG A 11 3.662 -11.901 5.053 1.00 3.02 N ATOM 155 CZ ARG A 11 4.787 -11.368 4.542 1.00 4.01 C ATOM 156 NH1 ARG A 11 5.491 -10.445 5.193 1.00 4.26 N ATOM 157 NH2 ARG A 11 5.217 -11.750 3.338 1.00 5.48 N ATOM 0 H ARG A 11 0.812 -7.730 5.899 1.00 0.52 H new ATOM 0 HA ARG A 11 -1.095 -9.980 5.899 1.00 0.59 H new ATOM 0 HB2 ARG A 11 1.496 -9.458 7.439 1.00 0.74 H new ATOM 0 HB3 ARG A 11 0.523 -10.911 7.566 1.00 0.74 H new ATOM 0 HG2 ARG A 11 0.967 -11.480 5.209 1.00 1.38 H new ATOM 0 HG3 ARG A 11 1.795 -9.957 4.954 1.00 1.38 H new ATOM 0 HD2 ARG A 11 3.489 -10.609 6.710 1.00 1.56 H new ATOM 0 HD3 ARG A 11 2.676 -12.150 6.900 1.00 1.56 H new ATOM 0 HE ARG A 11 3.312 -12.755 4.619 1.00 3.02 H new ATOM 0 HH11 ARG A 11 5.182 -10.120 6.109 1.00 4.26 H new ATOM 0 HH12 ARG A 11 6.339 -10.062 4.776 1.00 4.26 H new ATOM 0 HH21 ARG A 11 4.693 -12.445 2.806 1.00 5.48 H new ATOM 0 HH22 ARG A 11 6.070 -11.347 2.949 1.00 5.48 H new ATOM 171 N GLY A 12 -2.063 -9.571 8.219 1.00 1.03 N ATOM 172 CA GLY A 12 -2.862 -9.217 9.386 1.00 1.24 C ATOM 173 C GLY A 12 -4.080 -8.443 8.904 1.00 1.10 C ATOM 174 O GLY A 12 -5.217 -8.771 9.231 1.00 1.83 O ATOM 0 H GLY A 12 -2.278 -10.499 7.855 1.00 1.03 H new ATOM 0 HA2 GLY A 12 -3.169 -10.114 9.924 1.00 1.24 H new ATOM 0 HA3 GLY A 12 -2.277 -8.613 10.080 1.00 1.24 H new ATOM 178 N MET A 13 -3.793 -7.446 8.070 1.00 0.84 N ATOM 179 CA MET A 13 -4.697 -6.735 7.192 1.00 1.05 C ATOM 180 C MET A 13 -5.891 -7.594 6.768 1.00 1.22 C ATOM 181 O MET A 13 -5.726 -8.565 6.030 1.00 1.79 O ATOM 182 CB MET A 13 -3.872 -6.286 5.981 1.00 1.82 C ATOM 183 CG MET A 13 -4.399 -4.999 5.356 1.00 1.20 C ATOM 184 SD MET A 13 -6.053 -5.013 4.614 1.00 2.01 S ATOM 185 CE MET A 13 -5.830 -6.208 3.281 1.00 1.09 C ATOM 0 H MET A 13 -2.840 -7.091 7.990 1.00 0.84 H new ATOM 0 HA MET A 13 -5.129 -5.879 7.711 1.00 1.05 H new ATOM 0 HB2 MET A 13 -2.836 -6.139 6.286 1.00 1.82 H new ATOM 0 HB3 MET A 13 -3.874 -7.077 5.231 1.00 1.82 H new ATOM 0 HG2 MET A 13 -4.387 -4.227 6.126 1.00 1.20 H new ATOM 0 HG3 MET A 13 -3.692 -4.691 4.585 1.00 1.20 H new ATOM 0 HE1 MET A 13 -6.687 -6.167 2.608 1.00 1.09 H new ATOM 0 HE2 MET A 13 -4.922 -5.970 2.727 1.00 1.09 H new ATOM 0 HE3 MET A 13 -5.746 -7.210 3.701 1.00 1.09 H new ATOM 195 N THR A 14 -7.088 -7.231 7.226 1.00 1.13 N ATOM 196 CA THR A 14 -8.319 -7.900 6.860 1.00 1.68 C ATOM 197 C THR A 14 -9.499 -6.954 7.075 1.00 1.64 C ATOM 198 O THR A 14 -9.402 -5.975 7.821 1.00 3.08 O ATOM 199 CB THR A 14 -8.465 -9.209 7.650 1.00 2.13 C ATOM 200 OG1 THR A 14 -9.582 -9.922 7.156 1.00 3.10 O ATOM 201 CG2 THR A 14 -8.634 -8.959 9.154 1.00 1.82 C ATOM 0 H THR A 14 -7.224 -6.452 7.870 1.00 1.13 H new ATOM 0 HA THR A 14 -8.299 -8.167 5.803 1.00 1.68 H new ATOM 0 HB THR A 14 -7.552 -9.789 7.517 1.00 2.13 H new ATOM 0 HG1 THR A 14 -9.681 -10.760 7.654 1.00 3.10 H new ATOM 0 HG21 THR A 14 -8.734 -9.913 9.672 1.00 1.82 H new ATOM 0 HG22 THR A 14 -7.761 -8.428 9.535 1.00 1.82 H new ATOM 0 HG23 THR A 14 -9.527 -8.358 9.325 1.00 1.82 H new ATOM 209 N CYS A 15 -10.612 -7.276 6.416 1.00 1.19 N ATOM 210 CA CYS A 15 -11.872 -6.545 6.440 1.00 1.06 C ATOM 211 C CYS A 15 -11.759 -5.132 5.856 1.00 0.95 C ATOM 212 O CYS A 15 -10.696 -4.500 5.842 1.00 1.24 O ATOM 213 CB CYS A 15 -12.499 -6.537 7.843 1.00 1.22 C ATOM 214 SG CYS A 15 -13.147 -8.175 8.247 1.00 2.59 S ATOM 0 H CYS A 15 -10.658 -8.101 5.818 1.00 1.19 H new ATOM 0 HA CYS A 15 -12.550 -7.088 5.781 1.00 1.06 H new ATOM 0 HB2 CYS A 15 -11.753 -6.241 8.581 1.00 1.22 H new ATOM 0 HB3 CYS A 15 -13.301 -5.800 7.887 1.00 1.22 H new ATOM 0 HG CYS A 15 -13.672 -8.153 9.436 1.00 2.59 H new ATOM 220 N ALA A 16 -12.910 -4.627 5.392 1.00 0.81 N ATOM 221 CA ALA A 16 -13.095 -3.280 4.861 1.00 0.78 C ATOM 222 C ALA A 16 -12.399 -2.231 5.731 1.00 0.72 C ATOM 223 O ALA A 16 -11.846 -1.259 5.227 1.00 1.30 O ATOM 224 CB ALA A 16 -14.593 -2.979 4.762 1.00 0.91 C ATOM 0 H ALA A 16 -13.771 -5.174 5.378 1.00 0.81 H new ATOM 0 HA ALA A 16 -12.642 -3.234 3.871 1.00 0.78 H new ATOM 0 HB1 ALA A 16 -14.737 -1.974 4.366 1.00 0.91 H new ATOM 0 HB2 ALA A 16 -15.066 -3.702 4.098 1.00 0.91 H new ATOM 0 HB3 ALA A 16 -15.044 -3.047 5.752 1.00 0.91 H new ATOM 230 N SER A 17 -12.416 -2.454 7.042 1.00 0.44 N ATOM 231 CA SER A 17 -11.792 -1.644 8.065 1.00 0.53 C ATOM 232 C SER A 17 -10.283 -1.462 7.885 1.00 0.54 C ATOM 233 O SER A 17 -9.780 -0.351 8.033 1.00 1.07 O ATOM 234 CB SER A 17 -12.081 -2.342 9.387 1.00 0.80 C ATOM 235 OG SER A 17 -11.960 -3.745 9.206 1.00 0.98 O ATOM 0 H SER A 17 -12.900 -3.261 7.436 1.00 0.44 H new ATOM 0 HA SER A 17 -12.201 -0.635 8.016 1.00 0.53 H new ATOM 0 HB2 SER A 17 -11.385 -2.000 10.153 1.00 0.80 H new ATOM 0 HB3 SER A 17 -13.084 -2.092 9.733 1.00 0.80 H new ATOM 0 HG SER A 17 -12.143 -4.201 10.054 1.00 0.98 H new ATOM 241 N CYS A 18 -9.521 -2.535 7.643 1.00 0.60 N ATOM 242 CA CYS A 18 -8.086 -2.355 7.438 1.00 0.54 C ATOM 243 C CYS A 18 -7.901 -1.708 6.077 1.00 0.58 C ATOM 244 O CYS A 18 -7.125 -0.770 5.914 1.00 0.71 O ATOM 245 CB CYS A 18 -7.310 -3.667 7.517 1.00 0.92 C ATOM 246 SG CYS A 18 -7.264 -4.279 9.215 1.00 1.29 S ATOM 0 H CYS A 18 -9.858 -3.496 7.586 1.00 0.60 H new ATOM 0 HA CYS A 18 -7.688 -1.726 8.234 1.00 0.54 H new ATOM 0 HB2 CYS A 18 -7.775 -4.410 6.870 1.00 0.92 H new ATOM 0 HB3 CYS A 18 -6.294 -3.517 7.151 1.00 0.92 H new ATOM 0 HG CYS A 18 -8.116 -5.252 9.349 1.00 1.29 H new ATOM 252 N VAL A 19 -8.655 -2.224 5.106 1.00 0.68 N ATOM 253 CA VAL A 19 -8.644 -1.771 3.734 1.00 0.87 C ATOM 254 C VAL A 19 -8.736 -0.238 3.638 1.00 0.86 C ATOM 255 O VAL A 19 -7.797 0.414 3.174 1.00 0.98 O ATOM 256 CB VAL A 19 -9.745 -2.539 2.980 1.00 0.95 C ATOM 257 CG1 VAL A 19 -10.358 -1.793 1.796 1.00 1.20 C ATOM 258 CG2 VAL A 19 -9.222 -3.909 2.538 1.00 1.27 C ATOM 0 H VAL A 19 -9.307 -2.992 5.268 1.00 0.68 H new ATOM 0 HA VAL A 19 -7.693 -1.995 3.251 1.00 0.87 H new ATOM 0 HB VAL A 19 -10.560 -2.654 3.694 1.00 0.95 H new ATOM 0 HG11 VAL A 19 -11.122 -2.415 1.330 1.00 1.20 H new ATOM 0 HG12 VAL A 19 -10.809 -0.864 2.145 1.00 1.20 H new ATOM 0 HG13 VAL A 19 -9.580 -1.567 1.066 1.00 1.20 H new ATOM 0 HG21 VAL A 19 -10.008 -4.444 2.006 1.00 1.27 H new ATOM 0 HG22 VAL A 19 -8.364 -3.776 1.879 1.00 1.27 H new ATOM 0 HG23 VAL A 19 -8.921 -4.484 3.414 1.00 1.27 H new ATOM 268 N HIS A 20 -9.854 0.350 4.081 1.00 0.82 N ATOM 269 CA HIS A 20 -10.062 1.781 3.908 1.00 1.00 C ATOM 270 C HIS A 20 -9.118 2.598 4.803 1.00 0.94 C ATOM 271 O HIS A 20 -8.703 3.692 4.426 1.00 1.02 O ATOM 272 CB HIS A 20 -11.539 2.205 3.983 1.00 1.17 C ATOM 273 CG HIS A 20 -12.107 2.349 5.365 1.00 1.11 C ATOM 274 ND1 HIS A 20 -13.006 3.297 5.798 1.00 1.64 N ATOM 275 CD2 HIS A 20 -11.777 1.577 6.434 1.00 0.92 C ATOM 276 CE1 HIS A 20 -13.203 3.087 7.112 1.00 1.59 C ATOM 277 NE2 HIS A 20 -12.472 2.049 7.549 1.00 1.27 N ATOM 0 H HIS A 20 -10.614 -0.139 4.554 1.00 0.82 H new ATOM 0 HA HIS A 20 -9.785 2.021 2.881 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -11.651 3.157 3.463 1.00 1.17 H new ATOM 0 HB3 HIS A 20 -12.136 1.473 3.440 1.00 1.17 H new ATOM 0 HD2 HIS A 20 -11.094 0.741 6.423 1.00 0.92 H new ATOM 0 HE1 HIS A 20 -13.862 3.675 7.733 1.00 1.59 H new ATOM 0 HE2 HIS A 20 -12.433 1.681 8.500 1.00 1.27 H new ATOM 285 N LYS A 21 -8.748 2.065 5.979 1.00 0.84 N ATOM 286 CA LYS A 21 -7.769 2.683 6.863 1.00 0.78 C ATOM 287 C LYS A 21 -6.478 2.896 6.076 1.00 0.73 C ATOM 288 O LYS A 21 -5.989 4.022 5.991 1.00 0.72 O ATOM 289 CB LYS A 21 -7.559 1.804 8.110 1.00 0.70 C ATOM 290 CG LYS A 21 -6.435 2.265 9.052 1.00 0.71 C ATOM 291 CD LYS A 21 -6.204 1.206 10.143 1.00 2.27 C ATOM 292 CE LYS A 21 -5.042 1.606 11.068 1.00 2.86 C ATOM 293 NZ LYS A 21 -4.559 0.481 11.900 1.00 4.57 N ATOM 0 H LYS A 21 -9.127 1.188 6.337 1.00 0.84 H new ATOM 0 HA LYS A 21 -8.120 3.652 7.217 1.00 0.78 H new ATOM 0 HB2 LYS A 21 -8.492 1.770 8.673 1.00 0.70 H new ATOM 0 HB3 LYS A 21 -7.345 0.786 7.786 1.00 0.70 H new ATOM 0 HG2 LYS A 21 -5.517 2.425 8.487 1.00 0.71 H new ATOM 0 HG3 LYS A 21 -6.699 3.219 9.508 1.00 0.71 H new ATOM 0 HD2 LYS A 21 -7.114 1.081 10.730 1.00 2.27 H new ATOM 0 HD3 LYS A 21 -5.989 0.243 9.679 1.00 2.27 H new ATOM 0 HE2 LYS A 21 -4.218 1.986 10.465 1.00 2.86 H new ATOM 0 HE3 LYS A 21 -5.364 2.420 11.717 1.00 2.86 H new ATOM 0 HZ1 LYS A 21 -3.591 0.680 12.225 1.00 4.57 H new ATOM 0 HZ2 LYS A 21 -5.184 0.365 12.723 1.00 4.57 H new ATOM 0 HZ3 LYS A 21 -4.562 -0.393 11.337 1.00 4.57 H new ATOM 307 N ILE A 22 -5.938 1.817 5.499 1.00 0.71 N ATOM 308 CA ILE A 22 -4.747 1.893 4.665 1.00 0.66 C ATOM 309 C ILE A 22 -4.947 2.951 3.592 1.00 0.75 C ATOM 310 O ILE A 22 -4.177 3.907 3.517 1.00 0.72 O ATOM 311 CB ILE A 22 -4.411 0.521 4.044 1.00 0.59 C ATOM 312 CG1 ILE A 22 -3.896 -0.395 5.153 1.00 0.50 C ATOM 313 CG2 ILE A 22 -3.340 0.664 2.946 1.00 0.60 C ATOM 314 CD1 ILE A 22 -3.510 -1.801 4.689 1.00 0.60 C ATOM 0 H ILE A 22 -6.316 0.875 5.600 1.00 0.71 H new ATOM 0 HA ILE A 22 -3.898 2.178 5.286 1.00 0.66 H new ATOM 0 HB ILE A 22 -5.307 0.100 3.587 1.00 0.59 H new ATOM 0 HG12 ILE A 22 -3.027 0.071 5.618 1.00 0.50 H new ATOM 0 HG13 ILE A 22 -4.663 -0.478 5.923 1.00 0.50 H new ATOM 0 HG21 ILE A 22 -3.120 -0.316 2.523 1.00 0.60 H new ATOM 0 HG22 ILE A 22 -3.710 1.323 2.161 1.00 0.60 H new ATOM 0 HG23 ILE A 22 -2.432 1.086 3.376 1.00 0.60 H new ATOM 0 HD11 ILE A 22 -3.156 -2.381 5.541 1.00 0.60 H new ATOM 0 HD12 ILE A 22 -4.380 -2.292 4.252 1.00 0.60 H new ATOM 0 HD13 ILE A 22 -2.719 -1.733 3.942 1.00 0.60 H new ATOM 326 N GLU A 23 -5.944 2.751 2.732 1.00 0.83 N ATOM 327 CA GLU A 23 -6.008 3.524 1.507 1.00 0.80 C ATOM 328 C GLU A 23 -6.213 5.010 1.802 1.00 0.74 C ATOM 329 O GLU A 23 -5.511 5.852 1.245 1.00 0.68 O ATOM 330 CB GLU A 23 -7.013 2.884 0.541 1.00 0.80 C ATOM 331 CG GLU A 23 -8.458 3.238 0.851 1.00 2.19 C ATOM 332 CD GLU A 23 -8.892 4.629 0.397 1.00 3.80 C ATOM 333 OE1 GLU A 23 -8.157 5.226 -0.420 1.00 4.60 O ATOM 334 OE2 GLU A 23 -9.928 5.085 0.925 1.00 4.95 O ATOM 0 H GLU A 23 -6.698 2.076 2.861 1.00 0.83 H new ATOM 0 HA GLU A 23 -5.052 3.496 0.984 1.00 0.80 H new ATOM 0 HB2 GLU A 23 -6.780 3.199 -0.476 1.00 0.80 H new ATOM 0 HB3 GLU A 23 -6.897 1.801 0.573 1.00 0.80 H new ATOM 0 HG2 GLU A 23 -9.107 2.499 0.380 1.00 2.19 H new ATOM 0 HG3 GLU A 23 -8.613 3.158 1.927 1.00 2.19 H new ATOM 341 N SER A 24 -7.120 5.328 2.729 1.00 0.82 N ATOM 342 CA SER A 24 -7.407 6.700 3.104 1.00 0.81 C ATOM 343 C SER A 24 -6.156 7.306 3.736 1.00 0.81 C ATOM 344 O SER A 24 -5.721 8.396 3.359 1.00 0.91 O ATOM 345 CB SER A 24 -8.624 6.725 4.038 1.00 0.86 C ATOM 346 OG SER A 24 -8.974 8.053 4.375 1.00 1.20 O ATOM 0 H SER A 24 -7.672 4.636 3.236 1.00 0.82 H new ATOM 0 HA SER A 24 -7.662 7.306 2.234 1.00 0.81 H new ATOM 0 HB2 SER A 24 -9.468 6.234 3.555 1.00 0.86 H new ATOM 0 HB3 SER A 24 -8.403 6.162 4.945 1.00 0.86 H new ATOM 0 HG SER A 24 -9.753 8.045 4.969 1.00 1.20 H new ATOM 352 N SER A 25 -5.535 6.573 4.671 1.00 0.79 N ATOM 353 CA SER A 25 -4.311 7.032 5.303 1.00 0.81 C ATOM 354 C SER A 25 -3.233 7.313 4.263 1.00 0.85 C ATOM 355 O SER A 25 -2.526 8.311 4.396 1.00 1.12 O ATOM 356 CB SER A 25 -3.810 6.028 6.342 1.00 0.82 C ATOM 357 OG SER A 25 -2.737 6.585 7.075 1.00 1.11 O ATOM 0 H SER A 25 -5.866 5.665 4.998 1.00 0.79 H new ATOM 0 HA SER A 25 -4.538 7.964 5.821 1.00 0.81 H new ATOM 0 HB2 SER A 25 -4.621 5.757 7.018 1.00 0.82 H new ATOM 0 HB3 SER A 25 -3.487 5.112 5.848 1.00 0.82 H new ATOM 0 HG SER A 25 -3.066 6.915 7.937 1.00 1.11 H new ATOM 363 N LEU A 26 -3.059 6.458 3.253 1.00 0.72 N ATOM 364 CA LEU A 26 -2.072 6.751 2.228 1.00 0.71 C ATOM 365 C LEU A 26 -2.515 7.888 1.317 1.00 0.81 C ATOM 366 O LEU A 26 -1.852 8.911 1.293 1.00 1.17 O ATOM 367 CB LEU A 26 -1.592 5.548 1.430 1.00 0.71 C ATOM 368 CG LEU A 26 -1.022 4.441 2.318 1.00 0.76 C ATOM 369 CD1 LEU A 26 -1.101 3.131 1.543 1.00 1.50 C ATOM 370 CD2 LEU A 26 0.438 4.720 2.688 1.00 1.79 C ATOM 0 H LEU A 26 -3.573 5.586 3.129 1.00 0.72 H new ATOM 0 HA LEU A 26 -1.196 7.080 2.786 1.00 0.71 H new ATOM 0 HB2 LEU A 26 -2.422 5.149 0.847 1.00 0.71 H new ATOM 0 HB3 LEU A 26 -0.829 5.868 0.721 1.00 0.71 H new ATOM 0 HG LEU A 26 -1.598 4.390 3.242 1.00 0.76 H new ATOM 0 HD11 LEU A 26 -0.700 2.322 2.154 1.00 1.50 H new ATOM 0 HD12 LEU A 26 -2.141 2.917 1.295 1.00 1.50 H new ATOM 0 HD13 LEU A 26 -0.519 3.215 0.625 1.00 1.50 H new ATOM 0 HD21 LEU A 26 0.814 3.915 3.319 1.00 1.79 H new ATOM 0 HD22 LEU A 26 1.038 4.779 1.780 1.00 1.79 H new ATOM 0 HD23 LEU A 26 0.502 5.665 3.228 1.00 1.79 H new ATOM 382 N THR A 27 -3.588 7.730 0.546 1.00 0.56 N ATOM 383 CA THR A 27 -3.906 8.554 -0.619 1.00 0.59 C ATOM 384 C THR A 27 -3.703 10.064 -0.393 1.00 0.77 C ATOM 385 O THR A 27 -3.232 10.759 -1.292 1.00 1.63 O ATOM 386 CB THR A 27 -5.311 8.179 -1.110 1.00 0.64 C ATOM 387 OG1 THR A 27 -5.359 6.778 -1.297 1.00 1.43 O ATOM 388 CG2 THR A 27 -5.649 8.845 -2.446 1.00 1.43 C ATOM 0 H THR A 27 -4.282 7.003 0.719 1.00 0.56 H new ATOM 0 HA THR A 27 -3.188 8.335 -1.410 1.00 0.59 H new ATOM 0 HB THR A 27 -6.030 8.518 -0.364 1.00 0.64 H new ATOM 0 HG1 THR A 27 -5.574 6.342 -0.446 1.00 1.43 H new ATOM 0 HG21 THR A 27 -6.652 8.552 -2.755 1.00 1.43 H new ATOM 0 HG22 THR A 27 -5.606 9.928 -2.334 1.00 1.43 H new ATOM 0 HG23 THR A 27 -4.930 8.530 -3.202 1.00 1.43 H new ATOM 396 N LYS A 28 -3.965 10.555 0.826 1.00 0.71 N ATOM 397 CA LYS A 28 -3.622 11.900 1.292 1.00 0.76 C ATOM 398 C LYS A 28 -2.226 12.408 0.867 1.00 0.72 C ATOM 399 O LYS A 28 -2.044 13.614 0.716 1.00 0.87 O ATOM 400 CB LYS A 28 -3.835 11.975 2.816 1.00 0.91 C ATOM 401 CG LYS A 28 -2.863 11.130 3.651 1.00 1.69 C ATOM 402 CD LYS A 28 -1.641 11.892 4.199 1.00 3.37 C ATOM 403 CE LYS A 28 -0.312 11.139 3.996 1.00 4.93 C ATOM 404 NZ LYS A 28 -0.316 9.746 4.498 1.00 6.12 N ATOM 0 H LYS A 28 -4.440 10.003 1.540 1.00 0.71 H new ATOM 0 HA LYS A 28 -4.299 12.590 0.787 1.00 0.76 H new ATOM 0 HB2 LYS A 28 -3.748 13.016 3.129 1.00 0.91 H new ATOM 0 HB3 LYS A 28 -4.853 11.658 3.041 1.00 0.91 H new ATOM 0 HG2 LYS A 28 -3.409 10.699 4.490 1.00 1.69 H new ATOM 0 HG3 LYS A 28 -2.510 10.300 3.040 1.00 1.69 H new ATOM 0 HD2 LYS A 28 -1.578 12.864 3.710 1.00 3.37 H new ATOM 0 HD3 LYS A 28 -1.786 12.079 5.263 1.00 3.37 H new ATOM 0 HE2 LYS A 28 -0.073 11.128 2.933 1.00 4.93 H new ATOM 0 HE3 LYS A 28 0.484 11.690 4.496 1.00 4.93 H new ATOM 0 HZ1 LYS A 28 0.510 9.239 4.120 1.00 6.12 H new ATOM 0 HZ2 LYS A 28 -0.274 9.751 5.537 1.00 6.12 H new ATOM 0 HZ3 LYS A 28 -1.187 9.268 4.190 1.00 6.12 H new ATOM 418 N HIS A 29 -1.235 11.525 0.681 1.00 0.64 N ATOM 419 CA HIS A 29 0.094 11.880 0.183 1.00 0.67 C ATOM 420 C HIS A 29 0.003 12.604 -1.164 1.00 0.89 C ATOM 421 O HIS A 29 0.806 13.492 -1.434 1.00 2.25 O ATOM 422 CB HIS A 29 0.965 10.623 -0.019 1.00 0.77 C ATOM 423 CG HIS A 29 1.406 9.885 1.227 1.00 0.66 C ATOM 424 ND1 HIS A 29 2.471 10.207 2.043 1.00 1.24 N ATOM 425 CD2 HIS A 29 0.927 8.682 1.670 1.00 0.70 C ATOM 426 CE1 HIS A 29 2.568 9.236 2.972 1.00 1.18 C ATOM 427 NE2 HIS A 29 1.591 8.334 2.840 1.00 0.80 N ATOM 0 H HIS A 29 -1.340 10.529 0.876 1.00 0.64 H new ATOM 0 HA HIS A 29 0.544 12.533 0.931 1.00 0.67 H new ATOM 0 HB2 HIS A 29 0.412 9.925 -0.648 1.00 0.77 H new ATOM 0 HB3 HIS A 29 1.857 10.914 -0.574 1.00 0.77 H new ATOM 0 HD1 HIS A 29 3.072 11.027 1.959 1.00 1.24 H new ATOM 0 HD2 HIS A 29 0.157 8.098 1.188 1.00 0.70 H new ATOM 0 HE1 HIS A 29 3.338 9.192 3.728 1.00 1.18 H new ATOM 435 N ARG A 30 -0.891 12.140 -2.046 1.00 1.39 N ATOM 436 CA ARG A 30 -0.990 12.497 -3.460 1.00 1.46 C ATOM 437 C ARG A 30 0.168 11.929 -4.297 1.00 1.34 C ATOM 438 O ARG A 30 0.170 12.086 -5.514 1.00 1.85 O ATOM 439 CB ARG A 30 -1.125 14.013 -3.668 1.00 1.73 C ATOM 440 CG ARG A 30 -2.307 14.620 -2.898 1.00 2.39 C ATOM 441 CD ARG A 30 -2.315 16.154 -2.962 1.00 2.71 C ATOM 442 NE ARG A 30 -2.331 16.659 -4.348 1.00 3.67 N ATOM 443 CZ ARG A 30 -1.265 17.045 -5.071 1.00 4.39 C ATOM 444 NH1 ARG A 30 -0.031 16.968 -4.559 1.00 4.27 N ATOM 445 NH2 ARG A 30 -1.438 17.505 -6.315 1.00 5.97 N ATOM 0 H ARG A 30 -1.605 11.466 -1.772 1.00 1.39 H new ATOM 0 HA ARG A 30 -1.907 12.030 -3.820 1.00 1.46 H new ATOM 0 HB2 ARG A 30 -0.203 14.501 -3.352 1.00 1.73 H new ATOM 0 HB3 ARG A 30 -1.247 14.219 -4.731 1.00 1.73 H new ATOM 0 HG2 ARG A 30 -3.241 14.236 -3.308 1.00 2.39 H new ATOM 0 HG3 ARG A 30 -2.262 14.302 -1.856 1.00 2.39 H new ATOM 0 HD2 ARG A 30 -3.188 16.533 -2.430 1.00 2.71 H new ATOM 0 HD3 ARG A 30 -1.436 16.541 -2.447 1.00 2.71 H new ATOM 0 HE ARG A 30 -3.242 16.722 -4.803 1.00 3.67 H new ATOM 0 HH11 ARG A 30 0.107 16.614 -3.612 1.00 4.27 H new ATOM 0 HH12 ARG A 30 0.771 17.263 -5.115 1.00 4.27 H new ATOM 0 HH21 ARG A 30 -2.376 17.562 -6.712 1.00 5.97 H new ATOM 0 HH22 ARG A 30 -0.632 17.799 -6.867 1.00 5.97 H new ATOM 459 N GLY A 31 1.121 11.230 -3.671 1.00 0.86 N ATOM 460 CA GLY A 31 2.158 10.483 -4.366 1.00 0.87 C ATOM 461 C GLY A 31 1.618 9.142 -4.848 1.00 0.83 C ATOM 462 O GLY A 31 2.036 8.629 -5.882 1.00 1.01 O ATOM 0 H GLY A 31 1.189 11.171 -2.655 1.00 0.86 H new ATOM 0 HA2 GLY A 31 2.524 11.061 -5.215 1.00 0.87 H new ATOM 0 HA3 GLY A 31 3.006 10.322 -3.701 1.00 0.87 H new ATOM 466 N ILE A 32 0.682 8.568 -4.089 1.00 0.87 N ATOM 467 CA ILE A 32 -0.028 7.376 -4.496 1.00 0.83 C ATOM 468 C ILE A 32 -1.183 7.846 -5.381 1.00 0.82 C ATOM 469 O ILE A 32 -2.049 8.593 -4.925 1.00 1.11 O ATOM 470 CB ILE A 32 -0.542 6.591 -3.275 1.00 0.90 C ATOM 471 CG1 ILE A 32 0.567 6.117 -2.319 1.00 1.68 C ATOM 472 CG2 ILE A 32 -1.303 5.364 -3.783 1.00 2.26 C ATOM 473 CD1 ILE A 32 1.056 7.229 -1.393 1.00 2.74 C ATOM 0 H ILE A 32 0.402 8.925 -3.175 1.00 0.87 H new ATOM 0 HA ILE A 32 0.627 6.695 -5.039 1.00 0.83 H new ATOM 0 HB ILE A 32 -1.174 7.271 -2.704 1.00 0.90 H new ATOM 0 HG12 ILE A 32 0.195 5.287 -1.719 1.00 1.68 H new ATOM 0 HG13 ILE A 32 1.407 5.738 -2.901 1.00 1.68 H new ATOM 0 HG21 ILE A 32 -1.677 4.791 -2.935 1.00 2.26 H new ATOM 0 HG22 ILE A 32 -2.141 5.686 -4.402 1.00 2.26 H new ATOM 0 HG23 ILE A 32 -0.634 4.740 -4.375 1.00 2.26 H new ATOM 0 HD11 ILE A 32 1.838 6.841 -0.740 1.00 2.74 H new ATOM 0 HD12 ILE A 32 1.455 8.050 -1.989 1.00 2.74 H new ATOM 0 HD13 ILE A 32 0.224 7.591 -0.788 1.00 2.74 H new ATOM 485 N LEU A 33 -1.184 7.421 -6.642 1.00 0.65 N ATOM 486 CA LEU A 33 -2.206 7.761 -7.618 1.00 0.75 C ATOM 487 C LEU A 33 -3.430 6.862 -7.444 1.00 0.74 C ATOM 488 O LEU A 33 -4.554 7.293 -7.693 1.00 0.80 O ATOM 489 CB LEU A 33 -1.628 7.632 -9.035 1.00 0.88 C ATOM 490 CG LEU A 33 -0.310 8.404 -9.240 1.00 0.90 C ATOM 491 CD1 LEU A 33 0.157 8.224 -10.689 1.00 1.34 C ATOM 492 CD2 LEU A 33 -0.456 9.899 -8.934 1.00 1.37 C ATOM 0 H LEU A 33 -0.454 6.816 -7.019 1.00 0.65 H new ATOM 0 HA LEU A 33 -2.523 8.792 -7.462 1.00 0.75 H new ATOM 0 HB2 LEU A 33 -1.459 6.578 -9.254 1.00 0.88 H new ATOM 0 HB3 LEU A 33 -2.365 7.992 -9.753 1.00 0.88 H new ATOM 0 HG LEU A 33 0.424 7.998 -8.544 1.00 0.90 H new ATOM 0 HD11 LEU A 33 1.089 8.768 -10.841 1.00 1.34 H new ATOM 0 HD12 LEU A 33 0.318 7.165 -10.891 1.00 1.34 H new ATOM 0 HD13 LEU A 33 -0.604 8.611 -11.367 1.00 1.34 H new ATOM 0 HD21 LEU A 33 0.500 10.398 -9.094 1.00 1.37 H new ATOM 0 HD22 LEU A 33 -1.207 10.334 -9.594 1.00 1.37 H new ATOM 0 HD23 LEU A 33 -0.765 10.030 -7.897 1.00 1.37 H new ATOM 504 N TYR A 34 -3.220 5.606 -7.041 1.00 0.71 N ATOM 505 CA TYR A 34 -4.270 4.624 -6.887 1.00 0.70 C ATOM 506 C TYR A 34 -3.826 3.666 -5.788 1.00 0.64 C ATOM 507 O TYR A 34 -2.662 3.274 -5.796 1.00 0.68 O ATOM 508 CB TYR A 34 -4.436 3.902 -8.228 1.00 0.70 C ATOM 509 CG TYR A 34 -5.784 3.270 -8.420 1.00 0.78 C ATOM 510 CD1 TYR A 34 -6.927 4.083 -8.425 1.00 2.21 C ATOM 511 CD2 TYR A 34 -5.892 1.895 -8.683 1.00 1.93 C ATOM 512 CE1 TYR A 34 -8.188 3.514 -8.630 1.00 2.39 C ATOM 513 CE2 TYR A 34 -7.150 1.337 -8.949 1.00 2.15 C ATOM 514 CZ TYR A 34 -8.305 2.137 -8.899 1.00 1.55 C ATOM 515 OH TYR A 34 -9.528 1.581 -9.125 1.00 2.08 O ATOM 0 H TYR A 34 -2.293 5.247 -6.811 1.00 0.71 H new ATOM 0 HA TYR A 34 -5.227 5.067 -6.612 1.00 0.70 H new ATOM 0 HB2 TYR A 34 -4.261 4.613 -9.036 1.00 0.70 H new ATOM 0 HB3 TYR A 34 -3.670 3.131 -8.311 1.00 0.70 H new ATOM 0 HD1 TYR A 34 -6.833 5.148 -8.271 1.00 2.21 H new ATOM 0 HD2 TYR A 34 -5.011 1.271 -8.680 1.00 1.93 H new ATOM 0 HE1 TYR A 34 -9.073 4.131 -8.582 1.00 2.39 H new ATOM 0 HE2 TYR A 34 -7.232 0.288 -9.193 1.00 2.15 H new ATOM 0 HH TYR A 34 -9.425 0.621 -9.295 1.00 2.08 H new ATOM 525 N CYS A 35 -4.709 3.336 -4.841 1.00 0.71 N ATOM 526 CA CYS A 35 -4.355 2.630 -3.609 1.00 0.82 C ATOM 527 C CYS A 35 -5.340 1.496 -3.349 1.00 0.96 C ATOM 528 O CYS A 35 -6.068 1.486 -2.360 1.00 1.75 O ATOM 529 CB CYS A 35 -4.297 3.639 -2.459 1.00 0.97 C ATOM 530 SG CYS A 35 -3.466 2.849 -1.069 1.00 1.94 S ATOM 0 H CYS A 35 -5.703 3.555 -4.911 1.00 0.71 H new ATOM 0 HA CYS A 35 -3.371 2.170 -3.701 1.00 0.82 H new ATOM 0 HB2 CYS A 35 -3.759 4.536 -2.765 1.00 0.97 H new ATOM 0 HB3 CYS A 35 -5.302 3.952 -2.175 1.00 0.97 H new ATOM 0 HG CYS A 35 -4.306 2.080 -0.441 1.00 1.94 H new ATOM 536 N SER A 36 -5.370 0.536 -4.271 1.00 0.73 N ATOM 537 CA SER A 36 -6.304 -0.576 -4.236 1.00 0.67 C ATOM 538 C SER A 36 -5.771 -1.664 -3.315 1.00 0.62 C ATOM 539 O SER A 36 -4.982 -2.517 -3.726 1.00 0.60 O ATOM 540 CB SER A 36 -6.548 -1.099 -5.650 1.00 0.78 C ATOM 541 OG SER A 36 -7.226 -0.107 -6.385 1.00 1.81 O ATOM 0 H SER A 36 -4.737 0.513 -5.071 1.00 0.73 H new ATOM 0 HA SER A 36 -7.262 -0.240 -3.840 1.00 0.67 H new ATOM 0 HB2 SER A 36 -5.601 -1.345 -6.131 1.00 0.78 H new ATOM 0 HB3 SER A 36 -7.137 -2.015 -5.618 1.00 0.78 H new ATOM 0 HG SER A 36 -6.723 0.097 -7.201 1.00 1.81 H new ATOM 547 N VAL A 37 -6.228 -1.637 -2.065 1.00 0.66 N ATOM 548 CA VAL A 37 -5.913 -2.659 -1.087 1.00 0.62 C ATOM 549 C VAL A 37 -6.814 -3.862 -1.361 1.00 0.59 C ATOM 550 O VAL A 37 -7.898 -4.020 -0.800 1.00 0.61 O ATOM 551 CB VAL A 37 -5.984 -2.086 0.339 1.00 0.76 C ATOM 552 CG1 VAL A 37 -5.282 -3.047 1.298 1.00 1.30 C ATOM 553 CG2 VAL A 37 -5.273 -0.730 0.425 1.00 2.32 C ATOM 0 H VAL A 37 -6.831 -0.897 -1.706 1.00 0.66 H new ATOM 0 HA VAL A 37 -4.884 -3.009 -1.175 1.00 0.62 H new ATOM 0 HB VAL A 37 -7.034 -1.959 0.603 1.00 0.76 H new ATOM 0 HG11 VAL A 37 -5.328 -2.648 2.311 1.00 1.30 H new ATOM 0 HG12 VAL A 37 -5.777 -4.018 1.267 1.00 1.30 H new ATOM 0 HG13 VAL A 37 -4.240 -3.162 1.000 1.00 1.30 H new ATOM 0 HG21 VAL A 37 -5.339 -0.349 1.444 1.00 2.32 H new ATOM 0 HG22 VAL A 37 -4.225 -0.850 0.150 1.00 2.32 H new ATOM 0 HG23 VAL A 37 -5.749 -0.026 -0.257 1.00 2.32 H new ATOM 563 N ALA A 38 -6.345 -4.715 -2.270 1.00 0.79 N ATOM 564 CA ALA A 38 -7.053 -5.873 -2.764 1.00 0.95 C ATOM 565 C ALA A 38 -6.954 -6.978 -1.718 1.00 0.88 C ATOM 566 O ALA A 38 -6.152 -7.910 -1.840 1.00 0.80 O ATOM 567 CB ALA A 38 -6.462 -6.288 -4.113 1.00 1.16 C ATOM 0 H ALA A 38 -5.424 -4.605 -2.693 1.00 0.79 H new ATOM 0 HA ALA A 38 -8.108 -5.655 -2.928 1.00 0.95 H new ATOM 0 HB1 ALA A 38 -6.993 -7.162 -4.490 1.00 1.16 H new ATOM 0 HB2 ALA A 38 -6.564 -5.467 -4.823 1.00 1.16 H new ATOM 0 HB3 ALA A 38 -5.407 -6.531 -3.989 1.00 1.16 H new ATOM 573 N LEU A 39 -7.817 -6.852 -0.705 1.00 0.98 N ATOM 574 CA LEU A 39 -8.126 -7.833 0.331 1.00 1.06 C ATOM 575 C LEU A 39 -8.173 -9.249 -0.246 1.00 1.08 C ATOM 576 O LEU A 39 -7.600 -10.171 0.325 1.00 1.07 O ATOM 577 CB LEU A 39 -9.482 -7.462 0.961 1.00 1.38 C ATOM 578 CG LEU A 39 -9.667 -7.862 2.435 1.00 1.41 C ATOM 579 CD1 LEU A 39 -11.116 -7.557 2.832 1.00 2.30 C ATOM 580 CD2 LEU A 39 -9.373 -9.339 2.724 1.00 1.51 C ATOM 0 H LEU A 39 -8.357 -5.995 -0.582 1.00 0.98 H new ATOM 0 HA LEU A 39 -7.343 -7.819 1.090 1.00 1.06 H new ATOM 0 HB2 LEU A 39 -9.617 -6.384 0.877 1.00 1.38 H new ATOM 0 HB3 LEU A 39 -10.274 -7.929 0.375 1.00 1.38 H new ATOM 0 HG LEU A 39 -8.946 -7.288 3.017 1.00 1.41 H new ATOM 0 HD11 LEU A 39 -11.273 -7.832 3.875 1.00 2.30 H new ATOM 0 HD12 LEU A 39 -11.312 -6.492 2.704 1.00 2.30 H new ATOM 0 HD13 LEU A 39 -11.795 -8.129 2.199 1.00 2.30 H new ATOM 0 HD21 LEU A 39 -9.527 -9.540 3.784 1.00 1.51 H new ATOM 0 HD22 LEU A 39 -10.043 -9.965 2.135 1.00 1.51 H new ATOM 0 HD23 LEU A 39 -8.340 -9.563 2.458 1.00 1.51 H new ATOM 592 N ALA A 40 -8.811 -9.413 -1.410 1.00 1.14 N ATOM 593 CA ALA A 40 -8.952 -10.703 -2.081 1.00 1.18 C ATOM 594 C ALA A 40 -7.601 -11.404 -2.258 1.00 1.08 C ATOM 595 O ALA A 40 -7.520 -12.629 -2.221 1.00 1.14 O ATOM 596 CB ALA A 40 -9.625 -10.497 -3.439 1.00 1.25 C ATOM 0 H ALA A 40 -9.248 -8.642 -1.916 1.00 1.14 H new ATOM 0 HA ALA A 40 -9.571 -11.347 -1.456 1.00 1.18 H new ATOM 0 HB1 ALA A 40 -9.731 -11.458 -3.942 1.00 1.25 H new ATOM 0 HB2 ALA A 40 -10.610 -10.053 -3.293 1.00 1.25 H new ATOM 0 HB3 ALA A 40 -9.014 -9.833 -4.051 1.00 1.25 H new ATOM 602 N THR A 41 -6.548 -10.613 -2.464 1.00 0.95 N ATOM 603 CA THR A 41 -5.178 -11.060 -2.641 1.00 0.87 C ATOM 604 C THR A 41 -4.294 -10.639 -1.465 1.00 0.74 C ATOM 605 O THR A 41 -3.076 -10.787 -1.539 1.00 0.72 O ATOM 606 CB THR A 41 -4.666 -10.477 -3.965 1.00 0.91 C ATOM 607 OG1 THR A 41 -5.088 -9.130 -4.102 1.00 2.50 O ATOM 608 CG2 THR A 41 -5.235 -11.260 -5.152 1.00 1.81 C ATOM 0 H THR A 41 -6.637 -9.598 -2.513 1.00 0.95 H new ATOM 0 HA THR A 41 -5.142 -12.149 -2.672 1.00 0.87 H new ATOM 0 HB THR A 41 -3.578 -10.541 -3.955 1.00 0.91 H new ATOM 0 HG1 THR A 41 -5.294 -8.760 -3.218 1.00 2.50 H new ATOM 0 HG21 THR A 41 -4.861 -10.833 -6.083 1.00 1.81 H new ATOM 0 HG22 THR A 41 -4.926 -12.303 -5.082 1.00 1.81 H new ATOM 0 HG23 THR A 41 -6.323 -11.202 -5.138 1.00 1.81 H new ATOM 616 N ASN A 42 -4.892 -10.098 -0.397 1.00 0.75 N ATOM 617 CA ASN A 42 -4.206 -9.531 0.751 1.00 0.67 C ATOM 618 C ASN A 42 -3.025 -8.673 0.306 1.00 0.58 C ATOM 619 O ASN A 42 -1.928 -8.782 0.847 1.00 0.60 O ATOM 620 CB ASN A 42 -3.864 -10.662 1.741 1.00 0.83 C ATOM 621 CG ASN A 42 -4.660 -10.484 3.024 1.00 0.95 C ATOM 622 OD1 ASN A 42 -5.664 -11.152 3.246 1.00 2.08 O ATOM 623 ND2 ASN A 42 -4.233 -9.551 3.860 1.00 1.10 N ATOM 0 H ASN A 42 -5.907 -10.045 -0.314 1.00 0.75 H new ATOM 0 HA ASN A 42 -4.851 -8.839 1.293 1.00 0.67 H new ATOM 0 HB2 ASN A 42 -4.090 -11.630 1.293 1.00 0.83 H new ATOM 0 HB3 ASN A 42 -2.796 -10.654 1.961 1.00 0.83 H new ATOM 0 HD21 ASN A 42 -4.744 -9.367 4.724 1.00 1.10 H new ATOM 0 HD22 ASN A 42 -3.393 -9.016 3.641 1.00 1.10 H new ATOM 630 N LYS A 43 -3.260 -7.819 -0.700 1.00 0.54 N ATOM 631 CA LYS A 43 -2.213 -7.065 -1.375 1.00 0.49 C ATOM 632 C LYS A 43 -2.624 -5.609 -1.541 1.00 0.44 C ATOM 633 O LYS A 43 -3.789 -5.318 -1.792 1.00 0.53 O ATOM 634 CB LYS A 43 -1.857 -7.760 -2.706 1.00 0.58 C ATOM 635 CG LYS A 43 -1.210 -6.884 -3.802 1.00 0.58 C ATOM 636 CD LYS A 43 -2.236 -6.240 -4.747 1.00 0.85 C ATOM 637 CE LYS A 43 -2.842 -7.212 -5.767 1.00 0.86 C ATOM 638 NZ LYS A 43 -1.876 -7.639 -6.803 1.00 1.03 N ATOM 0 H LYS A 43 -4.194 -7.636 -1.066 1.00 0.54 H new ATOM 0 HA LYS A 43 -1.307 -7.051 -0.768 1.00 0.49 H new ATOM 0 HB2 LYS A 43 -1.179 -8.585 -2.487 1.00 0.58 H new ATOM 0 HB3 LYS A 43 -2.768 -8.197 -3.115 1.00 0.58 H new ATOM 0 HG2 LYS A 43 -0.619 -6.100 -3.329 1.00 0.58 H new ATOM 0 HG3 LYS A 43 -0.521 -7.494 -4.386 1.00 0.58 H new ATOM 0 HD2 LYS A 43 -3.040 -5.806 -4.152 1.00 0.85 H new ATOM 0 HD3 LYS A 43 -1.757 -5.420 -5.282 1.00 0.85 H new ATOM 0 HE2 LYS A 43 -3.218 -8.091 -5.244 1.00 0.86 H new ATOM 0 HE3 LYS A 43 -3.697 -6.738 -6.249 1.00 0.86 H new ATOM 0 HZ1 LYS A 43 -2.392 -8.002 -7.630 1.00 1.03 H new ATOM 0 HZ2 LYS A 43 -1.291 -6.828 -7.088 1.00 1.03 H new ATOM 0 HZ3 LYS A 43 -1.265 -8.389 -6.420 1.00 1.03 H new ATOM 652 N ALA A 44 -1.652 -4.700 -1.440 1.00 0.40 N ATOM 653 CA ALA A 44 -1.825 -3.300 -1.772 1.00 0.42 C ATOM 654 C ALA A 44 -1.293 -3.105 -3.181 1.00 0.41 C ATOM 655 O ALA A 44 -0.080 -3.128 -3.376 1.00 0.42 O ATOM 656 CB ALA A 44 -1.093 -2.425 -0.754 1.00 0.46 C ATOM 0 H ALA A 44 -0.711 -4.928 -1.119 1.00 0.40 H new ATOM 0 HA ALA A 44 -2.874 -3.006 -1.736 1.00 0.42 H new ATOM 0 HB1 ALA A 44 -1.229 -1.375 -1.012 1.00 0.46 H new ATOM 0 HB2 ALA A 44 -1.497 -2.609 0.241 1.00 0.46 H new ATOM 0 HB3 ALA A 44 -0.030 -2.666 -0.764 1.00 0.46 H new ATOM 662 N HIS A 45 -2.197 -2.948 -4.154 1.00 0.48 N ATOM 663 CA HIS A 45 -1.833 -2.453 -5.463 1.00 0.50 C ATOM 664 C HIS A 45 -1.826 -0.938 -5.348 1.00 0.51 C ATOM 665 O HIS A 45 -2.880 -0.297 -5.356 1.00 0.59 O ATOM 666 CB HIS A 45 -2.783 -2.980 -6.545 1.00 0.52 C ATOM 667 CG HIS A 45 -2.295 -2.654 -7.928 1.00 0.56 C ATOM 668 ND1 HIS A 45 -1.717 -3.523 -8.827 1.00 0.67 N ATOM 669 CD2 HIS A 45 -2.164 -1.393 -8.431 1.00 0.68 C ATOM 670 CE1 HIS A 45 -1.282 -2.792 -9.866 1.00 0.74 C ATOM 671 NE2 HIS A 45 -1.529 -1.484 -9.671 1.00 0.73 N ATOM 0 H HIS A 45 -3.189 -3.161 -4.047 1.00 0.48 H new ATOM 0 HA HIS A 45 -0.850 -2.806 -5.775 1.00 0.50 H new ATOM 0 HB2 HIS A 45 -2.887 -4.060 -6.442 1.00 0.52 H new ATOM 0 HB3 HIS A 45 -3.774 -2.549 -6.399 1.00 0.52 H new ATOM 0 HD1 HIS A 45 -1.635 -4.534 -8.723 1.00 0.67 H new ATOM 0 HD2 HIS A 45 -2.494 -0.482 -7.953 1.00 0.68 H new ATOM 0 HE1 HIS A 45 -0.798 -3.200 -10.741 1.00 0.74 H new ATOM 679 N ILE A 46 -0.621 -0.395 -5.208 1.00 0.50 N ATOM 680 CA ILE A 46 -0.368 1.016 -5.043 1.00 0.51 C ATOM 681 C ILE A 46 0.340 1.509 -6.296 1.00 0.57 C ATOM 682 O ILE A 46 1.501 1.192 -6.535 1.00 0.99 O ATOM 683 CB ILE A 46 0.395 1.230 -3.728 1.00 0.63 C ATOM 684 CG1 ILE A 46 -0.674 1.252 -2.629 1.00 1.05 C ATOM 685 CG2 ILE A 46 1.234 2.515 -3.733 1.00 0.64 C ATOM 686 CD1 ILE A 46 -0.083 1.133 -1.232 1.00 1.23 C ATOM 0 H ILE A 46 0.232 -0.954 -5.208 1.00 0.50 H new ATOM 0 HA ILE A 46 -1.277 1.610 -4.949 1.00 0.51 H new ATOM 0 HB ILE A 46 1.120 0.432 -3.568 1.00 0.63 H new ATOM 0 HG12 ILE A 46 -1.243 2.179 -2.700 1.00 1.05 H new ATOM 0 HG13 ILE A 46 -1.375 0.434 -2.793 1.00 1.05 H new ATOM 0 HG21 ILE A 46 1.752 2.615 -2.779 1.00 0.64 H new ATOM 0 HG22 ILE A 46 1.966 2.469 -4.540 1.00 0.64 H new ATOM 0 HG23 ILE A 46 0.582 3.375 -3.884 1.00 0.64 H new ATOM 0 HD11 ILE A 46 -0.885 1.154 -0.494 1.00 1.23 H new ATOM 0 HD12 ILE A 46 0.463 0.194 -1.147 1.00 1.23 H new ATOM 0 HD13 ILE A 46 0.597 1.966 -1.052 1.00 1.23 H new ATOM 698 N LYS A 47 -0.369 2.281 -7.113 1.00 0.47 N ATOM 699 CA LYS A 47 0.239 2.994 -8.218 1.00 0.52 C ATOM 700 C LYS A 47 0.897 4.241 -7.637 1.00 0.41 C ATOM 701 O LYS A 47 0.204 5.110 -7.113 1.00 0.50 O ATOM 702 CB LYS A 47 -0.838 3.364 -9.236 1.00 0.71 C ATOM 703 CG LYS A 47 -1.341 2.170 -10.057 1.00 0.83 C ATOM 704 CD LYS A 47 -0.266 1.718 -11.061 1.00 1.18 C ATOM 705 CE LYS A 47 -0.811 0.823 -12.183 1.00 1.83 C ATOM 706 NZ LYS A 47 -1.708 1.550 -13.104 1.00 2.21 N ATOM 0 H LYS A 47 -1.375 2.426 -7.024 1.00 0.47 H new ATOM 0 HA LYS A 47 0.983 2.384 -8.730 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -1.681 3.816 -8.713 1.00 0.71 H new ATOM 0 HB3 LYS A 47 -0.441 4.120 -9.914 1.00 0.71 H new ATOM 0 HG2 LYS A 47 -1.596 1.345 -9.392 1.00 0.83 H new ATOM 0 HG3 LYS A 47 -2.252 2.444 -10.589 1.00 0.83 H new ATOM 0 HD2 LYS A 47 0.199 2.599 -11.504 1.00 1.18 H new ATOM 0 HD3 LYS A 47 0.516 1.180 -10.526 1.00 1.18 H new ATOM 0 HE2 LYS A 47 0.023 0.406 -12.748 1.00 1.83 H new ATOM 0 HE3 LYS A 47 -1.350 -0.016 -11.744 1.00 1.83 H new ATOM 0 HZ1 LYS A 47 -1.913 0.954 -13.932 1.00 2.21 H new ATOM 0 HZ2 LYS A 47 -2.596 1.779 -12.614 1.00 2.21 H new ATOM 0 HZ3 LYS A 47 -1.247 2.429 -13.415 1.00 2.21 H new ATOM 720 N TYR A 48 2.224 4.315 -7.725 1.00 0.53 N ATOM 721 CA TYR A 48 3.029 5.465 -7.349 1.00 0.55 C ATOM 722 C TYR A 48 4.176 5.504 -8.353 1.00 0.82 C ATOM 723 O TYR A 48 4.444 4.475 -8.972 1.00 1.12 O ATOM 724 CB TYR A 48 3.554 5.308 -5.910 1.00 0.58 C ATOM 725 CG TYR A 48 4.869 4.549 -5.788 1.00 0.65 C ATOM 726 CD1 TYR A 48 4.941 3.199 -6.176 1.00 1.56 C ATOM 727 CD2 TYR A 48 6.057 5.247 -5.499 1.00 1.78 C ATOM 728 CE1 TYR A 48 6.189 2.564 -6.294 1.00 1.66 C ATOM 729 CE2 TYR A 48 7.297 4.594 -5.557 1.00 1.87 C ATOM 730 CZ TYR A 48 7.367 3.263 -5.989 1.00 1.04 C ATOM 731 OH TYR A 48 8.583 2.667 -6.141 1.00 1.26 O ATOM 0 H TYR A 48 2.787 3.540 -8.076 1.00 0.53 H new ATOM 0 HA TYR A 48 2.454 6.391 -7.368 1.00 0.55 H new ATOM 0 HB2 TYR A 48 3.681 6.299 -5.475 1.00 0.58 H new ATOM 0 HB3 TYR A 48 2.798 4.794 -5.317 1.00 0.58 H new ATOM 0 HD1 TYR A 48 4.035 2.649 -6.384 1.00 1.56 H new ATOM 0 HD2 TYR A 48 6.013 6.292 -5.231 1.00 1.78 H new ATOM 0 HE1 TYR A 48 6.242 1.536 -6.620 1.00 1.66 H new ATOM 0 HE2 TYR A 48 8.197 5.117 -5.269 1.00 1.87 H new ATOM 0 HH TYR A 48 9.290 3.296 -5.885 1.00 1.26 H new ATOM 741 N ASP A 49 4.872 6.632 -8.480 1.00 1.01 N ATOM 742 CA ASP A 49 6.085 6.726 -9.293 1.00 1.38 C ATOM 743 C ASP A 49 7.203 7.242 -8.374 1.00 1.07 C ATOM 744 O ASP A 49 6.924 8.093 -7.521 1.00 1.08 O ATOM 745 CB ASP A 49 5.852 7.608 -10.536 1.00 2.12 C ATOM 746 CG ASP A 49 5.874 6.802 -11.843 1.00 3.47 C ATOM 747 OD1 ASP A 49 4.778 6.332 -12.215 1.00 4.19 O ATOM 748 OD2 ASP A 49 6.958 6.635 -12.458 1.00 4.51 O ATOM 0 H ASP A 49 4.612 7.506 -8.023 1.00 1.01 H new ATOM 0 HA ASP A 49 6.376 5.755 -9.693 1.00 1.38 H new ATOM 0 HB2 ASP A 49 4.892 8.116 -10.442 1.00 2.12 H new ATOM 0 HB3 ASP A 49 6.619 8.382 -10.577 1.00 2.12 H new ATOM 753 N PRO A 50 8.434 6.706 -8.484 1.00 0.98 N ATOM 754 CA PRO A 50 9.523 6.944 -7.542 1.00 0.93 C ATOM 755 C PRO A 50 10.120 8.343 -7.717 1.00 1.17 C ATOM 756 O PRO A 50 11.260 8.503 -8.148 1.00 2.49 O ATOM 757 CB PRO A 50 10.530 5.819 -7.808 1.00 0.94 C ATOM 758 CG PRO A 50 10.349 5.556 -9.301 1.00 1.10 C ATOM 759 CD PRO A 50 8.841 5.726 -9.480 1.00 1.14 C ATOM 0 HA PRO A 50 9.189 6.925 -6.505 1.00 0.93 H new ATOM 0 HB2 PRO A 50 11.549 6.123 -7.571 1.00 0.94 H new ATOM 0 HB3 PRO A 50 10.315 4.933 -7.211 1.00 0.94 H new ATOM 0 HG2 PRO A 50 10.913 6.262 -9.910 1.00 1.10 H new ATOM 0 HG3 PRO A 50 10.682 4.557 -9.581 1.00 1.10 H new ATOM 0 HD2 PRO A 50 8.602 6.069 -10.487 1.00 1.14 H new ATOM 0 HD3 PRO A 50 8.320 4.780 -9.334 1.00 1.14 H new ATOM 767 N GLU A 51 9.331 9.352 -7.354 1.00 0.80 N ATOM 768 CA GLU A 51 9.652 10.766 -7.482 1.00 1.12 C ATOM 769 C GLU A 51 8.686 11.606 -6.642 1.00 1.32 C ATOM 770 O GLU A 51 9.112 12.486 -5.900 1.00 1.63 O ATOM 771 CB GLU A 51 9.654 11.195 -8.959 1.00 1.34 C ATOM 772 CG GLU A 51 8.469 10.673 -9.786 1.00 1.83 C ATOM 773 CD GLU A 51 8.477 11.289 -11.177 1.00 2.88 C ATOM 774 OE1 GLU A 51 9.225 10.761 -12.028 1.00 3.20 O ATOM 775 OE2 GLU A 51 7.753 12.292 -11.352 1.00 4.27 O ATOM 0 H GLU A 51 8.410 9.196 -6.945 1.00 0.80 H new ATOM 0 HA GLU A 51 10.658 10.936 -7.099 1.00 1.12 H new ATOM 0 HB2 GLU A 51 9.659 12.284 -9.006 1.00 1.34 H new ATOM 0 HB3 GLU A 51 10.580 10.852 -9.421 1.00 1.34 H new ATOM 0 HG2 GLU A 51 8.522 9.587 -9.863 1.00 1.83 H new ATOM 0 HG3 GLU A 51 7.533 10.912 -9.282 1.00 1.83 H new ATOM 782 N ILE A 52 7.385 11.317 -6.736 1.00 1.46 N ATOM 783 CA ILE A 52 6.355 11.992 -5.963 1.00 1.80 C ATOM 784 C ILE A 52 6.277 11.381 -4.568 1.00 1.64 C ATOM 785 O ILE A 52 5.874 12.054 -3.621 1.00 1.95 O ATOM 786 CB ILE A 52 5.002 11.984 -6.701 1.00 2.06 C ATOM 787 CG1 ILE A 52 4.566 10.587 -7.192 1.00 2.65 C ATOM 788 CG2 ILE A 52 5.066 12.976 -7.871 1.00 2.24 C ATOM 789 CD1 ILE A 52 3.228 10.598 -7.944 1.00 3.38 C ATOM 0 H ILE A 52 7.020 10.598 -7.360 1.00 1.46 H new ATOM 0 HA ILE A 52 6.621 13.043 -5.847 1.00 1.80 H new ATOM 0 HB ILE A 52 4.241 12.287 -5.982 1.00 2.06 H new ATOM 0 HG12 ILE A 52 5.339 10.182 -7.845 1.00 2.65 H new ATOM 0 HG13 ILE A 52 4.488 9.917 -6.336 1.00 2.65 H new ATOM 0 HG21 ILE A 52 4.113 12.977 -8.399 1.00 2.24 H new ATOM 0 HG22 ILE A 52 5.271 13.976 -7.489 1.00 2.24 H new ATOM 0 HG23 ILE A 52 5.860 12.680 -8.556 1.00 2.24 H new ATOM 0 HD11 ILE A 52 2.981 9.585 -8.261 1.00 3.38 H new ATOM 0 HD12 ILE A 52 2.444 10.974 -7.286 1.00 3.38 H new ATOM 0 HD13 ILE A 52 3.308 11.243 -8.819 1.00 3.38 H new ATOM 801 N ILE A 53 6.685 10.116 -4.433 1.00 1.24 N ATOM 802 CA ILE A 53 6.883 9.464 -3.155 1.00 0.90 C ATOM 803 C ILE A 53 7.832 8.289 -3.387 1.00 1.25 C ATOM 804 O ILE A 53 7.942 7.829 -4.524 1.00 2.72 O ATOM 805 CB ILE A 53 5.516 9.052 -2.580 1.00 0.64 C ATOM 806 CG1 ILE A 53 5.660 8.841 -1.080 1.00 0.76 C ATOM 807 CG2 ILE A 53 4.909 7.844 -3.297 1.00 1.01 C ATOM 808 CD1 ILE A 53 4.319 8.607 -0.391 1.00 1.26 C ATOM 0 H ILE A 53 6.888 9.513 -5.230 1.00 1.24 H new ATOM 0 HA ILE A 53 7.336 10.122 -2.414 1.00 0.90 H new ATOM 0 HB ILE A 53 4.802 9.857 -2.755 1.00 0.64 H new ATOM 0 HG12 ILE A 53 6.312 7.987 -0.898 1.00 0.76 H new ATOM 0 HG13 ILE A 53 6.144 9.712 -0.639 1.00 0.76 H new ATOM 0 HG21 ILE A 53 3.946 7.600 -2.848 1.00 1.01 H new ATOM 0 HG22 ILE A 53 4.768 8.080 -4.352 1.00 1.01 H new ATOM 0 HG23 ILE A 53 5.580 6.990 -3.203 1.00 1.01 H new ATOM 0 HD11 ILE A 53 4.479 8.462 0.677 1.00 1.26 H new ATOM 0 HD12 ILE A 53 3.674 9.472 -0.547 1.00 1.26 H new ATOM 0 HD13 ILE A 53 3.845 7.720 -0.810 1.00 1.26 H new ATOM 820 N GLY A 54 8.531 7.819 -2.352 1.00 0.68 N ATOM 821 CA GLY A 54 9.365 6.631 -2.436 1.00 0.63 C ATOM 822 C GLY A 54 8.582 5.386 -2.000 1.00 0.60 C ATOM 823 O GLY A 54 7.515 5.488 -1.391 1.00 0.75 O ATOM 0 H GLY A 54 8.531 8.257 -1.431 1.00 0.68 H new ATOM 0 HA2 GLY A 54 9.722 6.503 -3.458 1.00 0.63 H new ATOM 0 HA3 GLY A 54 10.245 6.753 -1.804 1.00 0.63 H new ATOM 827 N PRO A 55 9.095 4.186 -2.318 1.00 0.56 N ATOM 828 CA PRO A 55 8.449 2.931 -1.969 1.00 0.68 C ATOM 829 C PRO A 55 8.490 2.701 -0.458 1.00 0.72 C ATOM 830 O PRO A 55 7.484 2.337 0.154 1.00 0.77 O ATOM 831 CB PRO A 55 9.225 1.851 -2.730 1.00 0.82 C ATOM 832 CG PRO A 55 10.612 2.460 -2.942 1.00 0.71 C ATOM 833 CD PRO A 55 10.325 3.957 -3.058 1.00 0.58 C ATOM 0 HA PRO A 55 7.393 2.923 -2.241 1.00 0.68 H new ATOM 0 HB2 PRO A 55 9.281 0.924 -2.159 1.00 0.82 H new ATOM 0 HB3 PRO A 55 8.746 1.612 -3.680 1.00 0.82 H new ATOM 0 HG2 PRO A 55 11.279 2.242 -2.108 1.00 0.71 H new ATOM 0 HG3 PRO A 55 11.089 2.071 -3.842 1.00 0.71 H new ATOM 0 HD2 PRO A 55 11.145 4.545 -2.645 1.00 0.58 H new ATOM 0 HD3 PRO A 55 10.214 4.254 -4.101 1.00 0.58 H new ATOM 841 N ARG A 56 9.666 2.889 0.151 1.00 0.78 N ATOM 842 CA ARG A 56 9.849 2.603 1.564 1.00 0.99 C ATOM 843 C ARG A 56 8.943 3.479 2.427 1.00 0.85 C ATOM 844 O ARG A 56 8.457 3.023 3.458 1.00 0.84 O ATOM 845 CB ARG A 56 11.326 2.668 1.970 1.00 1.38 C ATOM 846 CG ARG A 56 11.441 2.216 3.430 1.00 2.29 C ATOM 847 CD ARG A 56 12.843 1.765 3.841 1.00 3.28 C ATOM 848 NE ARG A 56 12.793 1.370 5.253 1.00 4.58 N ATOM 849 CZ ARG A 56 13.751 0.808 5.999 1.00 5.89 C ATOM 850 NH1 ARG A 56 14.920 0.460 5.454 1.00 6.39 N ATOM 851 NH2 ARG A 56 13.498 0.619 7.297 1.00 7.18 N ATOM 0 H ARG A 56 10.501 3.238 -0.319 1.00 0.78 H new ATOM 0 HA ARG A 56 9.540 1.574 1.745 1.00 0.99 H new ATOM 0 HB2 ARG A 56 11.926 2.026 1.325 1.00 1.38 H new ATOM 0 HB3 ARG A 56 11.708 3.682 1.855 1.00 1.38 H new ATOM 0 HG2 ARG A 56 11.132 3.037 4.077 1.00 2.29 H new ATOM 0 HG3 ARG A 56 10.744 1.396 3.600 1.00 2.29 H new ATOM 0 HD2 ARG A 56 13.172 0.930 3.223 1.00 3.28 H new ATOM 0 HD3 ARG A 56 13.561 2.572 3.696 1.00 3.28 H new ATOM 0 HE ARG A 56 11.909 1.548 5.730 1.00 4.58 H new ATOM 0 HH11 ARG A 56 15.088 0.622 4.461 1.00 6.39 H new ATOM 0 HH12 ARG A 56 15.644 0.032 6.031 1.00 6.39 H new ATOM 0 HH21 ARG A 56 12.599 0.900 7.688 1.00 7.18 H new ATOM 0 HH22 ARG A 56 14.204 0.193 7.898 1.00 7.18 H new ATOM 865 N ASP A 57 8.700 4.714 1.995 1.00 0.82 N ATOM 866 CA ASP A 57 7.771 5.650 2.599 1.00 0.79 C ATOM 867 C ASP A 57 6.428 4.942 2.803 1.00 0.70 C ATOM 868 O ASP A 57 5.906 4.839 3.917 1.00 0.71 O ATOM 869 CB ASP A 57 7.571 6.902 1.705 1.00 0.87 C ATOM 870 CG ASP A 57 8.749 7.402 0.861 1.00 2.32 C ATOM 871 OD1 ASP A 57 9.750 6.663 0.709 1.00 3.69 O ATOM 872 OD2 ASP A 57 8.585 8.499 0.284 1.00 2.94 O ATOM 0 H ASP A 57 9.170 5.102 1.177 1.00 0.82 H new ATOM 0 HA ASP A 57 8.177 5.984 3.554 1.00 0.79 H new ATOM 0 HB2 ASP A 57 6.743 6.694 1.027 1.00 0.87 H new ATOM 0 HB3 ASP A 57 7.256 7.722 2.351 1.00 0.87 H new ATOM 877 N ILE A 58 5.878 4.433 1.697 1.00 0.63 N ATOM 878 CA ILE A 58 4.606 3.732 1.686 1.00 0.53 C ATOM 879 C ILE A 58 4.696 2.503 2.583 1.00 0.55 C ATOM 880 O ILE A 58 3.840 2.323 3.447 1.00 0.52 O ATOM 881 CB ILE A 58 4.203 3.366 0.249 1.00 0.49 C ATOM 882 CG1 ILE A 58 3.934 4.639 -0.565 1.00 0.62 C ATOM 883 CG2 ILE A 58 2.962 2.468 0.240 1.00 0.43 C ATOM 884 CD1 ILE A 58 4.226 4.396 -2.043 1.00 0.88 C ATOM 0 H ILE A 58 6.314 4.501 0.777 1.00 0.63 H new ATOM 0 HA ILE A 58 3.826 4.384 2.079 1.00 0.53 H new ATOM 0 HB ILE A 58 5.028 2.817 -0.206 1.00 0.49 H new ATOM 0 HG12 ILE A 58 2.896 4.947 -0.439 1.00 0.62 H new ATOM 0 HG13 ILE A 58 4.556 5.454 -0.194 1.00 0.62 H new ATOM 0 HG21 ILE A 58 2.697 2.223 -0.789 1.00 0.43 H new ATOM 0 HG22 ILE A 58 3.173 1.550 0.789 1.00 0.43 H new ATOM 0 HG23 ILE A 58 2.131 2.991 0.714 1.00 0.43 H new ATOM 0 HD11 ILE A 58 4.030 5.308 -2.607 1.00 0.88 H new ATOM 0 HD12 ILE A 58 5.271 4.111 -2.165 1.00 0.88 H new ATOM 0 HD13 ILE A 58 3.585 3.596 -2.414 1.00 0.88 H new ATOM 896 N ILE A 59 5.715 1.662 2.382 1.00 0.65 N ATOM 897 CA ILE A 59 5.882 0.432 3.155 1.00 0.77 C ATOM 898 C ILE A 59 5.833 0.739 4.655 1.00 0.83 C ATOM 899 O ILE A 59 4.973 0.215 5.360 1.00 0.78 O ATOM 900 CB ILE A 59 7.170 -0.301 2.737 1.00 0.90 C ATOM 901 CG1 ILE A 59 7.013 -0.827 1.299 1.00 0.95 C ATOM 902 CG2 ILE A 59 7.478 -1.467 3.689 1.00 1.09 C ATOM 903 CD1 ILE A 59 8.347 -1.177 0.638 1.00 1.51 C ATOM 0 H ILE A 59 6.442 1.815 1.683 1.00 0.65 H new ATOM 0 HA ILE A 59 5.055 -0.245 2.941 1.00 0.77 H new ATOM 0 HB ILE A 59 8.001 0.402 2.786 1.00 0.90 H new ATOM 0 HG12 ILE A 59 6.377 -1.712 1.310 1.00 0.95 H new ATOM 0 HG13 ILE A 59 6.503 -0.075 0.697 1.00 0.95 H new ATOM 0 HG21 ILE A 59 8.393 -1.966 3.369 1.00 1.09 H new ATOM 0 HG22 ILE A 59 7.608 -1.085 4.702 1.00 1.09 H new ATOM 0 HG23 ILE A 59 6.652 -2.178 3.672 1.00 1.09 H new ATOM 0 HD11 ILE A 59 8.167 -1.542 -0.373 1.00 1.51 H new ATOM 0 HD12 ILE A 59 8.977 -0.288 0.597 1.00 1.51 H new ATOM 0 HD13 ILE A 59 8.849 -1.951 1.219 1.00 1.51 H new ATOM 915 N HIS A 60 6.712 1.629 5.128 1.00 0.96 N ATOM 916 CA HIS A 60 6.719 2.095 6.504 1.00 1.04 C ATOM 917 C HIS A 60 5.319 2.523 6.910 1.00 0.91 C ATOM 918 O HIS A 60 4.854 2.126 7.975 1.00 0.91 O ATOM 919 CB HIS A 60 7.665 3.291 6.688 1.00 1.17 C ATOM 920 CG HIS A 60 9.140 2.993 6.783 1.00 1.79 C ATOM 921 ND1 HIS A 60 10.121 3.958 6.798 1.00 2.52 N ATOM 922 CD2 HIS A 60 9.726 1.805 7.137 1.00 2.16 C ATOM 923 CE1 HIS A 60 11.273 3.364 7.143 1.00 3.16 C ATOM 924 NE2 HIS A 60 11.096 2.042 7.334 1.00 2.90 N ATOM 0 H HIS A 60 7.444 2.046 4.553 1.00 0.96 H new ATOM 0 HA HIS A 60 7.065 1.271 7.128 1.00 1.04 H new ATOM 0 HB2 HIS A 60 7.511 3.975 5.853 1.00 1.17 H new ATOM 0 HB3 HIS A 60 7.368 3.821 7.593 1.00 1.17 H new ATOM 0 HD1 HIS A 60 9.995 4.947 6.585 1.00 2.52 H new ATOM 0 HD2 HIS A 60 9.223 0.855 7.245 1.00 2.16 H new ATOM 0 HE1 HIS A 60 12.217 3.877 7.253 1.00 3.16 H new ATOM 932 N THR A 61 4.653 3.339 6.087 1.00 0.82 N ATOM 933 CA THR A 61 3.344 3.843 6.469 1.00 0.73 C ATOM 934 C THR A 61 2.370 2.675 6.683 1.00 0.53 C ATOM 935 O THR A 61 1.760 2.572 7.747 1.00 0.56 O ATOM 936 CB THR A 61 2.856 4.892 5.459 1.00 0.79 C ATOM 937 OG1 THR A 61 3.812 5.928 5.356 1.00 0.99 O ATOM 938 CG2 THR A 61 1.539 5.528 5.912 1.00 0.85 C ATOM 0 H THR A 61 4.992 3.654 5.178 1.00 0.82 H new ATOM 0 HA THR A 61 3.407 4.362 7.425 1.00 0.73 H new ATOM 0 HB THR A 61 2.711 4.387 4.504 1.00 0.79 H new ATOM 0 HG1 THR A 61 4.538 5.645 4.761 1.00 0.99 H new ATOM 0 HG21 THR A 61 1.219 6.266 5.176 1.00 0.85 H new ATOM 0 HG22 THR A 61 0.776 4.756 6.006 1.00 0.85 H new ATOM 0 HG23 THR A 61 1.683 6.015 6.876 1.00 0.85 H new ATOM 946 N ILE A 62 2.254 1.773 5.704 1.00 0.42 N ATOM 947 CA ILE A 62 1.395 0.595 5.776 1.00 0.42 C ATOM 948 C ILE A 62 1.701 -0.212 7.033 1.00 0.49 C ATOM 949 O ILE A 62 0.807 -0.469 7.840 1.00 0.45 O ATOM 950 CB ILE A 62 1.544 -0.257 4.501 1.00 0.49 C ATOM 951 CG1 ILE A 62 0.927 0.521 3.332 1.00 0.49 C ATOM 952 CG2 ILE A 62 0.850 -1.622 4.645 1.00 0.59 C ATOM 953 CD1 ILE A 62 1.110 -0.175 1.985 1.00 0.78 C ATOM 0 H ILE A 62 2.765 1.846 4.824 1.00 0.42 H new ATOM 0 HA ILE A 62 0.356 0.918 5.838 1.00 0.42 H new ATOM 0 HB ILE A 62 2.602 -0.449 4.324 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -0.137 0.662 3.519 1.00 0.49 H new ATOM 0 HG13 ILE A 62 1.377 1.513 3.286 1.00 0.49 H new ATOM 0 HG21 ILE A 62 0.977 -2.194 3.726 1.00 0.59 H new ATOM 0 HG22 ILE A 62 1.293 -2.169 5.477 1.00 0.59 H new ATOM 0 HG23 ILE A 62 -0.213 -1.472 4.835 1.00 0.59 H new ATOM 0 HD11 ILE A 62 0.652 0.426 1.200 1.00 0.78 H new ATOM 0 HD12 ILE A 62 2.174 -0.293 1.778 1.00 0.78 H new ATOM 0 HD13 ILE A 62 0.636 -1.156 2.015 1.00 0.78 H new ATOM 965 N GLU A 63 2.954 -0.637 7.190 1.00 0.71 N ATOM 966 CA GLU A 63 3.318 -1.484 8.307 1.00 0.96 C ATOM 967 C GLU A 63 2.991 -0.767 9.617 1.00 0.92 C ATOM 968 O GLU A 63 2.246 -1.286 10.447 1.00 0.94 O ATOM 969 CB GLU A 63 4.785 -1.907 8.195 1.00 1.26 C ATOM 970 CG GLU A 63 4.987 -2.779 6.948 1.00 2.40 C ATOM 971 CD GLU A 63 6.399 -3.338 6.875 1.00 3.23 C ATOM 972 OE1 GLU A 63 7.341 -2.520 6.945 1.00 3.08 O ATOM 973 OE2 GLU A 63 6.501 -4.576 6.732 1.00 4.74 O ATOM 0 H GLU A 63 3.723 -0.407 6.560 1.00 0.71 H new ATOM 0 HA GLU A 63 2.734 -2.404 8.292 1.00 0.96 H new ATOM 0 HB2 GLU A 63 5.423 -1.025 8.139 1.00 1.26 H new ATOM 0 HB3 GLU A 63 5.082 -2.459 9.087 1.00 1.26 H new ATOM 0 HG2 GLU A 63 4.271 -3.600 6.958 1.00 2.40 H new ATOM 0 HG3 GLU A 63 4.783 -2.189 6.055 1.00 2.40 H new ATOM 980 N SER A 64 3.480 0.468 9.752 1.00 0.95 N ATOM 981 CA SER A 64 3.228 1.320 10.902 1.00 1.02 C ATOM 982 C SER A 64 1.730 1.424 11.220 1.00 0.92 C ATOM 983 O SER A 64 1.367 1.418 12.394 1.00 1.16 O ATOM 984 CB SER A 64 3.893 2.687 10.680 1.00 1.09 C ATOM 985 OG SER A 64 3.744 3.532 11.806 1.00 1.24 O ATOM 0 H SER A 64 4.073 0.906 9.048 1.00 0.95 H new ATOM 0 HA SER A 64 3.677 0.869 11.787 1.00 1.02 H new ATOM 0 HB2 SER A 64 4.953 2.546 10.469 1.00 1.09 H new ATOM 0 HB3 SER A 64 3.455 3.167 9.805 1.00 1.09 H new ATOM 0 HG SER A 64 4.180 4.392 11.630 1.00 1.24 H new ATOM 991 N LEU A 65 0.846 1.542 10.221 1.00 0.66 N ATOM 992 CA LEU A 65 -0.582 1.592 10.488 1.00 0.56 C ATOM 993 C LEU A 65 -1.109 0.348 11.205 1.00 0.51 C ATOM 994 O LEU A 65 -1.930 0.491 12.117 1.00 0.91 O ATOM 995 CB LEU A 65 -1.337 1.835 9.182 1.00 0.67 C ATOM 996 CG LEU A 65 -1.199 3.299 8.752 1.00 0.99 C ATOM 997 CD1 LEU A 65 -1.349 3.366 7.237 1.00 1.80 C ATOM 998 CD2 LEU A 65 -2.245 4.182 9.439 1.00 1.36 C ATOM 0 H LEU A 65 1.098 1.603 9.235 1.00 0.66 H new ATOM 0 HA LEU A 65 -0.755 2.421 11.174 1.00 0.56 H new ATOM 0 HB2 LEU A 65 -0.947 1.181 8.402 1.00 0.67 H new ATOM 0 HB3 LEU A 65 -2.390 1.584 9.311 1.00 0.67 H new ATOM 0 HG LEU A 65 -0.220 3.675 9.050 1.00 0.99 H new ATOM 0 HD11 LEU A 65 -1.254 4.401 6.907 1.00 1.80 H new ATOM 0 HD12 LEU A 65 -0.572 2.763 6.767 1.00 1.80 H new ATOM 0 HD13 LEU A 65 -2.328 2.982 6.951 1.00 1.80 H new ATOM 0 HD21 LEU A 65 -2.120 5.215 9.113 1.00 1.36 H new ATOM 0 HD22 LEU A 65 -3.244 3.836 9.174 1.00 1.36 H new ATOM 0 HD23 LEU A 65 -2.116 4.125 10.520 1.00 1.36 H new ATOM 1010 N GLY A 66 -0.783 -0.863 10.740 1.00 0.52 N ATOM 1011 CA GLY A 66 -1.227 -2.060 11.459 1.00 0.59 C ATOM 1012 C GLY A 66 -0.506 -3.384 11.184 1.00 0.65 C ATOM 1013 O GLY A 66 -0.943 -4.401 11.719 1.00 1.03 O ATOM 0 H GLY A 66 -0.233 -1.038 9.899 1.00 0.52 H new ATOM 0 HA2 GLY A 66 -1.148 -1.854 12.527 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -2.285 -2.206 11.240 1.00 0.59 H new ATOM 1017 N PHE A 67 0.480 -3.428 10.285 1.00 0.65 N ATOM 1018 CA PHE A 67 0.706 -4.607 9.445 1.00 0.64 C ATOM 1019 C PHE A 67 2.185 -4.962 9.280 1.00 0.84 C ATOM 1020 O PHE A 67 3.062 -4.255 9.768 1.00 1.54 O ATOM 1021 CB PHE A 67 0.030 -4.364 8.085 1.00 0.63 C ATOM 1022 CG PHE A 67 -1.407 -3.883 8.200 1.00 0.59 C ATOM 1023 CD1 PHE A 67 -2.336 -4.664 8.913 1.00 2.07 C ATOM 1024 CD2 PHE A 67 -1.744 -2.563 7.844 1.00 1.59 C ATOM 1025 CE1 PHE A 67 -3.575 -4.125 9.289 1.00 2.10 C ATOM 1026 CE2 PHE A 67 -2.982 -2.019 8.225 1.00 1.59 C ATOM 1027 CZ PHE A 67 -3.901 -2.805 8.937 1.00 0.67 C ATOM 0 H PHE A 67 1.134 -2.663 10.120 1.00 0.65 H new ATOM 0 HA PHE A 67 0.265 -5.472 9.941 1.00 0.64 H new ATOM 0 HB2 PHE A 67 0.608 -3.627 7.527 1.00 0.63 H new ATOM 0 HB3 PHE A 67 0.050 -5.288 7.508 1.00 0.63 H new ATOM 0 HD1 PHE A 67 -2.093 -5.684 9.172 1.00 2.07 H new ATOM 0 HD2 PHE A 67 -1.047 -1.966 7.275 1.00 1.59 H new ATOM 0 HE1 PHE A 67 -4.278 -4.724 9.849 1.00 2.10 H new ATOM 0 HE2 PHE A 67 -3.226 -0.998 7.970 1.00 1.59 H new ATOM 0 HZ PHE A 67 -4.860 -2.394 9.215 1.00 0.67 H new ATOM 1037 N GLU A 68 2.439 -6.072 8.579 1.00 0.51 N ATOM 1038 CA GLU A 68 3.741 -6.475 8.066 1.00 0.60 C ATOM 1039 C GLU A 68 3.571 -6.605 6.548 1.00 0.69 C ATOM 1040 O GLU A 68 2.519 -7.081 6.109 1.00 1.00 O ATOM 1041 CB GLU A 68 4.128 -7.814 8.706 1.00 0.75 C ATOM 1042 CG GLU A 68 5.536 -8.278 8.319 1.00 1.83 C ATOM 1043 CD GLU A 68 5.752 -9.725 8.729 1.00 2.42 C ATOM 1044 OE1 GLU A 68 6.016 -9.958 9.924 1.00 3.06 O ATOM 1045 OE2 GLU A 68 5.602 -10.577 7.824 1.00 3.35 O ATOM 0 H GLU A 68 1.705 -6.741 8.346 1.00 0.51 H new ATOM 0 HA GLU A 68 4.531 -5.760 8.298 1.00 0.60 H new ATOM 0 HB2 GLU A 68 4.067 -7.723 9.790 1.00 0.75 H new ATOM 0 HB3 GLU A 68 3.406 -8.575 8.408 1.00 0.75 H new ATOM 0 HG2 GLU A 68 5.676 -8.174 7.243 1.00 1.83 H new ATOM 0 HG3 GLU A 68 6.280 -7.643 8.800 1.00 1.83 H new ATOM 1052 N ALA A 69 4.547 -6.155 5.753 1.00 0.83 N ATOM 1053 CA ALA A 69 4.444 -6.061 4.301 1.00 0.88 C ATOM 1054 C ALA A 69 5.520 -6.884 3.583 1.00 1.15 C ATOM 1055 O ALA A 69 6.538 -7.268 4.158 1.00 1.66 O ATOM 1056 CB ALA A 69 4.547 -4.591 3.893 1.00 1.09 C ATOM 0 H ALA A 69 5.448 -5.840 6.113 1.00 0.83 H new ATOM 0 HA ALA A 69 3.481 -6.474 4.002 1.00 0.88 H new ATOM 0 HB1 ALA A 69 4.471 -4.508 2.809 1.00 1.09 H new ATOM 0 HB2 ALA A 69 3.738 -4.027 4.357 1.00 1.09 H new ATOM 0 HB3 ALA A 69 5.505 -4.188 4.222 1.00 1.09 H new ATOM 1062 N SER A 70 5.287 -7.183 2.302 1.00 0.95 N ATOM 1063 CA SER A 70 6.264 -7.798 1.411 1.00 1.11 C ATOM 1064 C SER A 70 5.914 -7.490 -0.042 1.00 1.07 C ATOM 1065 O SER A 70 4.879 -7.963 -0.485 1.00 1.05 O ATOM 1066 CB SER A 70 6.215 -9.313 1.617 1.00 1.27 C ATOM 1067 OG SER A 70 6.779 -9.652 2.876 1.00 1.83 O ATOM 0 H SER A 70 4.392 -6.998 1.849 1.00 0.95 H new ATOM 0 HA SER A 70 7.257 -7.407 1.631 1.00 1.11 H new ATOM 0 HB2 SER A 70 5.184 -9.662 1.566 1.00 1.27 H new ATOM 0 HB3 SER A 70 6.761 -9.815 0.818 1.00 1.27 H new ATOM 0 HG SER A 70 6.895 -8.840 3.412 1.00 1.83 H new ATOM 1073 N LEU A 71 6.752 -6.761 -0.787 1.00 1.17 N ATOM 1074 CA LEU A 71 6.683 -6.679 -2.253 1.00 1.33 C ATOM 1075 C LEU A 71 6.612 -8.101 -2.836 1.00 1.49 C ATOM 1076 O LEU A 71 7.211 -9.027 -2.288 1.00 2.13 O ATOM 1077 CB LEU A 71 7.933 -5.946 -2.759 1.00 1.66 C ATOM 1078 CG LEU A 71 7.995 -4.483 -2.290 1.00 1.41 C ATOM 1079 CD1 LEU A 71 9.424 -3.947 -2.432 1.00 1.66 C ATOM 1080 CD2 LEU A 71 7.048 -3.602 -3.109 1.00 3.10 C ATOM 0 H LEU A 71 7.507 -6.204 -0.386 1.00 1.17 H new ATOM 0 HA LEU A 71 5.795 -6.131 -2.568 1.00 1.33 H new ATOM 0 HB2 LEU A 71 8.823 -6.472 -2.413 1.00 1.66 H new ATOM 0 HB3 LEU A 71 7.950 -5.975 -3.848 1.00 1.66 H new ATOM 0 HG LEU A 71 7.689 -4.453 -1.244 1.00 1.41 H new ATOM 0 HD11 LEU A 71 9.459 -2.910 -2.098 1.00 1.66 H new ATOM 0 HD12 LEU A 71 10.100 -4.547 -1.823 1.00 1.66 H new ATOM 0 HD13 LEU A 71 9.731 -4.002 -3.476 1.00 1.66 H new ATOM 0 HD21 LEU A 71 7.112 -2.573 -2.756 1.00 3.10 H new ATOM 0 HD22 LEU A 71 7.331 -3.643 -4.161 1.00 3.10 H new ATOM 0 HD23 LEU A 71 6.026 -3.962 -2.994 1.00 3.10 H new ATOM 1092 N VAL A 72 5.801 -8.286 -3.882 1.00 1.34 N ATOM 1093 CA VAL A 72 5.638 -9.547 -4.597 1.00 1.46 C ATOM 1094 C VAL A 72 5.688 -9.319 -6.110 1.00 1.75 C ATOM 1095 O VAL A 72 4.904 -9.906 -6.853 1.00 3.08 O ATOM 1096 CB VAL A 72 4.318 -10.213 -4.160 1.00 1.38 C ATOM 1097 CG1 VAL A 72 4.391 -10.549 -2.674 1.00 1.33 C ATOM 1098 CG2 VAL A 72 3.077 -9.339 -4.408 1.00 1.40 C ATOM 0 H VAL A 72 5.224 -7.536 -4.263 1.00 1.34 H new ATOM 0 HA VAL A 72 6.460 -10.218 -4.349 1.00 1.46 H new ATOM 0 HB VAL A 72 4.206 -11.110 -4.769 1.00 1.38 H new ATOM 0 HG11 VAL A 72 3.459 -11.020 -2.361 1.00 1.33 H new ATOM 0 HG12 VAL A 72 5.221 -11.233 -2.496 1.00 1.33 H new ATOM 0 HG13 VAL A 72 4.545 -9.634 -2.101 1.00 1.33 H new ATOM 0 HG21 VAL A 72 2.185 -9.871 -4.077 1.00 1.40 H new ATOM 0 HG22 VAL A 72 3.171 -8.407 -3.851 1.00 1.40 H new ATOM 0 HG23 VAL A 72 2.994 -9.119 -5.472 1.00 1.40 H new