USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 SER OG : rot 180:sc= -0.247 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -143:sc= 1.02 (180deg=1.14) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -0.152 X(o=1.1,f=1.1) USER MOD Set 2.2: A 61 THR OG1 : rot 74:sc= 1.23 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= -0.676 USER MOD Set 3.2: A 18 CYS SG : rot -150:sc= -0.456 USER MOD Single : A 13 MET CE :methyl -177:sc= -0.264 (180deg=-0.273) USER MOD Single : A 14 THR OG1 : rot -24:sc= 0.4 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= 1.27 (180deg=0.766) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 86:sc= 1.22 USER MOD Single : A 27 THR OG1 : rot -82:sc= 1.09 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 160:sc= -0.0697 USER MOD Single : A 41 THR OG1 : rot -179:sc= -0.261 USER MOD Single : A 42 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 45 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-4.4!) USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.331 (180deg=-1.35!) USER MOD Single : A 48 TYR OH : rot 165:sc= -0.0344 USER MOD Single : A 60 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.19) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 5:sc= 1.64 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -3.866 -12.247 -1.961 1.00 0.94 N ATOM 40 CA GLY A 4 -2.557 -11.623 -1.896 1.00 1.59 C ATOM 41 C GLY A 4 -2.670 -10.454 -0.927 1.00 1.50 C ATOM 42 O GLY A 4 -2.589 -9.289 -1.312 1.00 2.05 O ATOM 0 HA2 GLY A 4 -1.806 -12.336 -1.555 1.00 1.59 H new ATOM 0 HA3 GLY A 4 -2.244 -11.278 -2.882 1.00 1.59 H new ATOM 46 N VAL A 5 -2.909 -10.775 0.345 1.00 1.13 N ATOM 47 CA VAL A 5 -3.038 -9.787 1.403 1.00 1.00 C ATOM 48 C VAL A 5 -1.648 -9.324 1.838 1.00 0.99 C ATOM 49 O VAL A 5 -0.790 -10.156 2.127 1.00 1.41 O ATOM 50 CB VAL A 5 -3.881 -10.350 2.565 1.00 1.14 C ATOM 51 CG1 VAL A 5 -3.334 -11.643 3.188 1.00 2.15 C ATOM 52 CG2 VAL A 5 -4.037 -9.290 3.660 1.00 1.84 C ATOM 0 H VAL A 5 -3.018 -11.737 0.667 1.00 1.13 H new ATOM 0 HA VAL A 5 -3.572 -8.910 1.036 1.00 1.00 H new ATOM 0 HB VAL A 5 -4.844 -10.609 2.124 1.00 1.14 H new ATOM 0 HG11 VAL A 5 -3.991 -11.964 3.996 1.00 2.15 H new ATOM 0 HG12 VAL A 5 -3.287 -12.422 2.427 1.00 2.15 H new ATOM 0 HG13 VAL A 5 -2.335 -11.462 3.584 1.00 2.15 H new ATOM 0 HG21 VAL A 5 -4.634 -9.696 4.477 1.00 1.84 H new ATOM 0 HG22 VAL A 5 -3.053 -9.007 4.035 1.00 1.84 H new ATOM 0 HG23 VAL A 5 -4.535 -8.412 3.248 1.00 1.84 H new ATOM 62 N LEU A 6 -1.428 -8.009 1.887 1.00 0.79 N ATOM 63 CA LEU A 6 -0.195 -7.404 2.355 1.00 0.88 C ATOM 64 C LEU A 6 -0.545 -6.226 3.255 1.00 0.76 C ATOM 65 O LEU A 6 -1.425 -5.434 2.919 1.00 0.96 O ATOM 66 CB LEU A 6 0.634 -6.923 1.155 1.00 1.02 C ATOM 67 CG LEU A 6 2.007 -7.599 1.025 1.00 1.34 C ATOM 68 CD1 LEU A 6 2.946 -7.221 2.174 1.00 1.94 C ATOM 69 CD2 LEU A 6 1.920 -9.125 0.890 1.00 2.79 C ATOM 0 H LEU A 6 -2.125 -7.324 1.593 1.00 0.79 H new ATOM 0 HA LEU A 6 0.392 -8.133 2.913 1.00 0.88 H new ATOM 0 HB2 LEU A 6 0.066 -7.100 0.241 1.00 1.02 H new ATOM 0 HB3 LEU A 6 0.778 -5.846 1.236 1.00 1.02 H new ATOM 0 HG LEU A 6 2.427 -7.216 0.095 1.00 1.34 H new ATOM 0 HD11 LEU A 6 3.905 -7.722 2.040 1.00 1.94 H new ATOM 0 HD12 LEU A 6 3.098 -6.142 2.179 1.00 1.94 H new ATOM 0 HD13 LEU A 6 2.504 -7.530 3.121 1.00 1.94 H new ATOM 0 HD21 LEU A 6 2.924 -9.540 0.802 1.00 2.79 H new ATOM 0 HD22 LEU A 6 1.431 -9.541 1.771 1.00 2.79 H new ATOM 0 HD23 LEU A 6 1.343 -9.379 0.001 1.00 2.79 H new ATOM 81 N GLU A 7 0.166 -6.112 4.376 1.00 0.95 N ATOM 82 CA GLU A 7 0.168 -4.944 5.232 1.00 0.95 C ATOM 83 C GLU A 7 1.619 -4.477 5.286 1.00 1.04 C ATOM 84 O GLU A 7 2.526 -5.312 5.285 1.00 1.59 O ATOM 85 CB GLU A 7 -0.352 -5.322 6.628 1.00 1.21 C ATOM 86 CG GLU A 7 -1.105 -4.164 7.290 1.00 1.76 C ATOM 87 CD GLU A 7 -0.289 -2.884 7.358 1.00 3.70 C ATOM 88 OE1 GLU A 7 0.468 -2.736 8.338 1.00 4.65 O ATOM 89 OE2 GLU A 7 -0.408 -2.088 6.399 1.00 4.87 O ATOM 0 H GLU A 7 0.773 -6.858 4.717 1.00 0.95 H new ATOM 0 HA GLU A 7 -0.481 -4.152 4.858 1.00 0.95 H new ATOM 0 HB2 GLU A 7 -1.012 -6.186 6.548 1.00 1.21 H new ATOM 0 HB3 GLU A 7 0.486 -5.618 7.259 1.00 1.21 H new ATOM 0 HG2 GLU A 7 -2.024 -3.973 6.737 1.00 1.76 H new ATOM 0 HG3 GLU A 7 -1.395 -4.457 8.299 1.00 1.76 H new ATOM 96 N LEU A 8 1.841 -3.169 5.332 1.00 0.87 N ATOM 97 CA LEU A 8 3.133 -2.599 5.649 1.00 0.90 C ATOM 98 C LEU A 8 2.924 -1.198 6.213 1.00 0.87 C ATOM 99 O LEU A 8 1.997 -0.495 5.814 1.00 1.07 O ATOM 100 CB LEU A 8 4.098 -2.672 4.447 1.00 1.19 C ATOM 101 CG LEU A 8 3.504 -2.493 3.037 1.00 0.93 C ATOM 102 CD1 LEU A 8 3.210 -1.030 2.724 1.00 1.79 C ATOM 103 CD2 LEU A 8 4.498 -3.022 1.997 1.00 2.18 C ATOM 0 H LEU A 8 1.119 -2.473 5.148 1.00 0.87 H new ATOM 0 HA LEU A 8 3.630 -3.186 6.421 1.00 0.90 H new ATOM 0 HB2 LEU A 8 4.865 -1.910 4.587 1.00 1.19 H new ATOM 0 HB3 LEU A 8 4.600 -3.639 4.479 1.00 1.19 H new ATOM 0 HG LEU A 8 2.567 -3.048 3.002 1.00 0.93 H new ATOM 0 HD11 LEU A 8 2.793 -0.949 1.720 1.00 1.79 H new ATOM 0 HD12 LEU A 8 2.494 -0.640 3.447 1.00 1.79 H new ATOM 0 HD13 LEU A 8 4.133 -0.453 2.780 1.00 1.79 H new ATOM 0 HD21 LEU A 8 4.080 -2.897 0.998 1.00 2.18 H new ATOM 0 HD22 LEU A 8 5.433 -2.467 2.072 1.00 2.18 H new ATOM 0 HD23 LEU A 8 4.688 -4.079 2.181 1.00 2.18 H new ATOM 115 N VAL A 9 3.800 -0.778 7.129 1.00 0.81 N ATOM 116 CA VAL A 9 3.782 0.580 7.628 1.00 0.77 C ATOM 117 C VAL A 9 4.426 1.428 6.537 1.00 0.81 C ATOM 118 O VAL A 9 5.441 1.037 5.959 1.00 0.95 O ATOM 119 CB VAL A 9 4.478 0.678 9.002 1.00 0.86 C ATOM 120 CG1 VAL A 9 5.347 1.931 9.161 1.00 0.93 C ATOM 121 CG2 VAL A 9 3.424 0.693 10.119 1.00 0.99 C ATOM 0 H VAL A 9 4.527 -1.367 7.534 1.00 0.81 H new ATOM 0 HA VAL A 9 2.773 0.943 7.822 1.00 0.77 H new ATOM 0 HB VAL A 9 5.129 -0.194 9.070 1.00 0.86 H new ATOM 0 HG11 VAL A 9 5.805 1.933 10.150 1.00 0.93 H new ATOM 0 HG12 VAL A 9 6.127 1.931 8.400 1.00 0.93 H new ATOM 0 HG13 VAL A 9 4.728 2.820 9.046 1.00 0.93 H new ATOM 0 HG21 VAL A 9 3.921 0.762 11.087 1.00 0.99 H new ATOM 0 HG22 VAL A 9 2.766 1.552 9.987 1.00 0.99 H new ATOM 0 HG23 VAL A 9 2.837 -0.224 10.077 1.00 0.99 H new ATOM 131 N VAL A 10 3.807 2.562 6.224 1.00 0.79 N ATOM 132 CA VAL A 10 4.234 3.474 5.196 1.00 0.78 C ATOM 133 C VAL A 10 4.595 4.783 5.888 1.00 0.86 C ATOM 134 O VAL A 10 3.757 5.413 6.533 1.00 1.08 O ATOM 135 CB VAL A 10 3.107 3.625 4.178 1.00 0.81 C ATOM 136 CG1 VAL A 10 3.466 4.714 3.169 1.00 2.16 C ATOM 137 CG2 VAL A 10 2.859 2.303 3.447 1.00 1.70 C ATOM 0 H VAL A 10 2.963 2.873 6.705 1.00 0.79 H new ATOM 0 HA VAL A 10 5.107 3.120 4.648 1.00 0.78 H new ATOM 0 HB VAL A 10 2.196 3.905 4.707 1.00 0.81 H new ATOM 0 HG11 VAL A 10 2.659 4.819 2.444 1.00 2.16 H new ATOM 0 HG12 VAL A 10 3.610 5.660 3.691 1.00 2.16 H new ATOM 0 HG13 VAL A 10 4.386 4.441 2.651 1.00 2.16 H new ATOM 0 HG21 VAL A 10 2.052 2.432 2.726 1.00 1.70 H new ATOM 0 HG22 VAL A 10 3.767 2.000 2.925 1.00 1.70 H new ATOM 0 HG23 VAL A 10 2.581 1.535 4.169 1.00 1.70 H new ATOM 147 N ARG A 11 5.861 5.172 5.773 1.00 0.91 N ATOM 148 CA ARG A 11 6.389 6.373 6.382 1.00 1.03 C ATOM 149 C ARG A 11 6.122 7.543 5.434 1.00 0.76 C ATOM 150 O ARG A 11 6.195 7.378 4.215 1.00 1.07 O ATOM 151 CB ARG A 11 7.892 6.217 6.656 1.00 1.56 C ATOM 152 CG ARG A 11 8.313 4.791 7.055 1.00 1.99 C ATOM 153 CD ARG A 11 9.804 4.768 7.420 1.00 2.90 C ATOM 154 NE ARG A 11 10.376 3.415 7.305 1.00 4.17 N ATOM 155 CZ ARG A 11 11.685 3.117 7.219 1.00 5.45 C ATOM 156 NH1 ARG A 11 12.609 4.053 6.988 1.00 5.73 N ATOM 157 NH2 ARG A 11 12.056 1.843 7.370 1.00 6.89 N ATOM 0 H ARG A 11 6.556 4.647 5.243 1.00 0.91 H new ATOM 0 HA ARG A 11 5.902 6.558 7.339 1.00 1.03 H new ATOM 0 HB2 ARG A 11 8.446 6.512 5.764 1.00 1.56 H new ATOM 0 HB3 ARG A 11 8.179 6.905 7.451 1.00 1.56 H new ATOM 0 HG2 ARG A 11 7.717 4.450 7.902 1.00 1.99 H new ATOM 0 HG3 ARG A 11 8.121 4.102 6.232 1.00 1.99 H new ATOM 0 HD2 ARG A 11 10.349 5.449 6.766 1.00 2.90 H new ATOM 0 HD3 ARG A 11 9.934 5.132 8.439 1.00 2.90 H new ATOM 0 HE ARG A 11 9.720 2.634 7.289 1.00 4.17 H new ATOM 0 HH11 ARG A 11 12.330 5.027 6.871 1.00 5.73 H new ATOM 0 HH12 ARG A 11 13.594 3.794 6.929 1.00 5.73 H new ATOM 0 HH21 ARG A 11 11.353 1.125 7.546 1.00 6.89 H new ATOM 0 HH22 ARG A 11 13.042 1.588 7.310 1.00 6.89 H new ATOM 171 N GLY A 12 5.822 8.717 5.996 1.00 0.77 N ATOM 172 CA GLY A 12 5.685 9.958 5.244 1.00 0.87 C ATOM 173 C GLY A 12 4.235 10.320 4.914 1.00 0.80 C ATOM 174 O GLY A 12 4.002 11.369 4.319 1.00 1.20 O ATOM 0 H GLY A 12 5.666 8.829 6.998 1.00 0.77 H new ATOM 0 HA2 GLY A 12 6.132 10.771 5.817 1.00 0.87 H new ATOM 0 HA3 GLY A 12 6.250 9.874 4.315 1.00 0.87 H new ATOM 178 N MET A 13 3.253 9.498 5.304 1.00 0.87 N ATOM 179 CA MET A 13 1.840 9.813 5.115 1.00 0.96 C ATOM 180 C MET A 13 1.411 10.933 6.064 1.00 0.87 C ATOM 181 O MET A 13 0.707 10.697 7.045 1.00 1.20 O ATOM 182 CB MET A 13 0.992 8.553 5.313 1.00 1.30 C ATOM 183 CG MET A 13 1.104 7.627 4.101 1.00 0.89 C ATOM 184 SD MET A 13 0.582 5.924 4.407 1.00 1.62 S ATOM 185 CE MET A 13 -1.096 6.157 4.990 1.00 1.68 C ATOM 0 H MET A 13 3.419 8.600 5.758 1.00 0.87 H new ATOM 0 HA MET A 13 1.685 10.168 4.096 1.00 0.96 H new ATOM 0 HB2 MET A 13 1.319 8.027 6.210 1.00 1.30 H new ATOM 0 HB3 MET A 13 -0.050 8.831 5.469 1.00 1.30 H new ATOM 0 HG2 MET A 13 0.503 8.037 3.290 1.00 0.89 H new ATOM 0 HG3 MET A 13 2.139 7.620 3.759 1.00 0.89 H new ATOM 0 HE1 MET A 13 -1.522 5.193 5.267 1.00 1.68 H new ATOM 0 HE2 MET A 13 -1.091 6.815 5.859 1.00 1.68 H new ATOM 0 HE3 MET A 13 -1.697 6.605 4.199 1.00 1.68 H new ATOM 195 N THR A 14 1.855 12.158 5.783 1.00 0.72 N ATOM 196 CA THR A 14 1.705 13.266 6.713 1.00 0.78 C ATOM 197 C THR A 14 0.273 13.807 6.806 1.00 0.77 C ATOM 198 O THR A 14 -0.002 14.538 7.759 1.00 1.04 O ATOM 199 CB THR A 14 2.733 14.375 6.432 1.00 0.89 C ATOM 200 OG1 THR A 14 2.690 15.337 7.468 1.00 1.55 O ATOM 201 CG2 THR A 14 2.526 15.075 5.087 1.00 1.08 C ATOM 0 H THR A 14 2.324 12.404 4.911 1.00 0.72 H new ATOM 0 HA THR A 14 1.916 12.861 7.703 1.00 0.78 H new ATOM 0 HB THR A 14 3.707 13.888 6.390 1.00 0.89 H new ATOM 0 HG1 THR A 14 1.813 15.309 7.904 1.00 1.55 H new ATOM 0 HG21 THR A 14 3.287 15.845 4.957 1.00 1.08 H new ATOM 0 HG22 THR A 14 2.606 14.345 4.281 1.00 1.08 H new ATOM 0 HG23 THR A 14 1.538 15.534 5.064 1.00 1.08 H new ATOM 209 N CYS A 15 -0.622 13.514 5.853 1.00 0.62 N ATOM 210 CA CYS A 15 -2.003 13.978 5.917 1.00 0.63 C ATOM 211 C CYS A 15 -2.905 13.114 5.037 1.00 0.58 C ATOM 212 O CYS A 15 -2.431 12.277 4.266 1.00 0.54 O ATOM 213 CB CYS A 15 -2.085 15.460 5.523 1.00 0.74 C ATOM 214 SG CYS A 15 -1.811 15.797 3.768 1.00 0.89 S ATOM 0 H CYS A 15 -0.407 12.955 5.027 1.00 0.62 H new ATOM 0 HA CYS A 15 -2.358 13.883 6.943 1.00 0.63 H new ATOM 0 HB2 CYS A 15 -3.067 15.841 5.802 1.00 0.74 H new ATOM 0 HB3 CYS A 15 -1.350 16.017 6.104 1.00 0.74 H new ATOM 0 HG CYS A 15 -1.906 17.075 3.552 1.00 0.89 H new ATOM 219 N ALA A 16 -4.216 13.352 5.134 1.00 0.65 N ATOM 220 CA ALA A 16 -5.236 12.680 4.339 1.00 0.70 C ATOM 221 C ALA A 16 -4.908 12.718 2.844 1.00 0.67 C ATOM 222 O ALA A 16 -5.168 11.749 2.131 1.00 0.69 O ATOM 223 CB ALA A 16 -6.600 13.323 4.604 1.00 0.88 C ATOM 0 H ALA A 16 -4.602 14.035 5.785 1.00 0.65 H new ATOM 0 HA ALA A 16 -5.263 11.632 4.637 1.00 0.70 H new ATOM 0 HB1 ALA A 16 -7.362 12.819 4.009 1.00 0.88 H new ATOM 0 HB2 ALA A 16 -6.846 13.231 5.662 1.00 0.88 H new ATOM 0 HB3 ALA A 16 -6.564 14.378 4.330 1.00 0.88 H new ATOM 229 N SER A 17 -4.331 13.831 2.374 1.00 0.67 N ATOM 230 CA SER A 17 -3.893 13.952 0.992 1.00 0.72 C ATOM 231 C SER A 17 -2.912 12.827 0.657 1.00 0.72 C ATOM 232 O SER A 17 -3.048 12.176 -0.375 1.00 1.04 O ATOM 233 CB SER A 17 -3.289 15.337 0.716 1.00 0.79 C ATOM 234 OG SER A 17 -3.247 15.583 -0.678 1.00 2.27 O ATOM 0 H SER A 17 -4.159 14.662 2.941 1.00 0.67 H new ATOM 0 HA SER A 17 -4.761 13.854 0.340 1.00 0.72 H new ATOM 0 HB2 SER A 17 -3.883 16.106 1.211 1.00 0.79 H new ATOM 0 HB3 SER A 17 -2.284 15.393 1.133 1.00 0.79 H new ATOM 0 HG SER A 17 -2.862 16.469 -0.842 1.00 2.27 H new ATOM 240 N CYS A 18 -1.942 12.556 1.535 1.00 0.52 N ATOM 241 CA CYS A 18 -1.012 11.464 1.312 1.00 0.47 C ATOM 242 C CYS A 18 -1.746 10.130 1.308 1.00 0.52 C ATOM 243 O CYS A 18 -1.537 9.312 0.412 1.00 0.67 O ATOM 244 CB CYS A 18 0.078 11.463 2.380 1.00 0.54 C ATOM 245 SG CYS A 18 1.086 12.963 2.444 1.00 0.70 S ATOM 0 H CYS A 18 -1.787 13.077 2.398 1.00 0.52 H new ATOM 0 HA CYS A 18 -0.544 11.607 0.338 1.00 0.47 H new ATOM 0 HB2 CYS A 18 -0.389 11.315 3.354 1.00 0.54 H new ATOM 0 HB3 CYS A 18 0.734 10.610 2.208 1.00 0.54 H new ATOM 0 HG CYS A 18 2.280 12.666 2.862 1.00 0.70 H new ATOM 250 N VAL A 19 -2.602 9.920 2.313 1.00 0.49 N ATOM 251 CA VAL A 19 -3.389 8.700 2.414 1.00 0.54 C ATOM 252 C VAL A 19 -4.079 8.426 1.074 1.00 0.54 C ATOM 253 O VAL A 19 -3.766 7.444 0.400 1.00 0.59 O ATOM 254 CB VAL A 19 -4.394 8.776 3.584 1.00 0.66 C ATOM 255 CG1 VAL A 19 -5.213 7.486 3.704 1.00 0.88 C ATOM 256 CG2 VAL A 19 -3.695 9.011 4.928 1.00 0.68 C ATOM 0 H VAL A 19 -2.764 10.586 3.068 1.00 0.49 H new ATOM 0 HA VAL A 19 -2.727 7.863 2.634 1.00 0.54 H new ATOM 0 HB VAL A 19 -5.048 9.618 3.359 1.00 0.66 H new ATOM 0 HG11 VAL A 19 -5.910 7.574 4.537 1.00 0.88 H new ATOM 0 HG12 VAL A 19 -5.769 7.321 2.781 1.00 0.88 H new ATOM 0 HG13 VAL A 19 -4.543 6.644 3.879 1.00 0.88 H new ATOM 0 HG21 VAL A 19 -4.440 9.058 5.722 1.00 0.68 H new ATOM 0 HG22 VAL A 19 -3.004 8.192 5.127 1.00 0.68 H new ATOM 0 HG23 VAL A 19 -3.144 9.951 4.892 1.00 0.68 H new ATOM 266 N HIS A 20 -5.026 9.279 0.676 1.00 0.56 N ATOM 267 CA HIS A 20 -5.796 8.969 -0.518 1.00 0.66 C ATOM 268 C HIS A 20 -4.975 9.105 -1.807 1.00 0.54 C ATOM 269 O HIS A 20 -5.306 8.454 -2.791 1.00 0.61 O ATOM 270 CB HIS A 20 -7.179 9.631 -0.539 1.00 0.89 C ATOM 271 CG HIS A 20 -7.242 10.994 -1.166 1.00 0.88 C ATOM 272 ND1 HIS A 20 -8.236 11.479 -1.981 1.00 1.11 N ATOM 273 CD2 HIS A 20 -6.311 11.974 -1.016 1.00 0.85 C ATOM 274 CE1 HIS A 20 -7.901 12.741 -2.309 1.00 1.14 C ATOM 275 NE2 HIS A 20 -6.732 13.089 -1.744 1.00 1.05 N ATOM 0 H HIS A 20 -5.268 10.153 1.144 1.00 0.56 H new ATOM 0 HA HIS A 20 -6.032 7.906 -0.471 1.00 0.66 H new ATOM 0 HB2 HIS A 20 -7.867 8.975 -1.072 1.00 0.89 H new ATOM 0 HB3 HIS A 20 -7.540 9.707 0.487 1.00 0.89 H new ATOM 0 HD2 HIS A 20 -5.404 11.902 -0.435 1.00 0.85 H new ATOM 0 HE1 HIS A 20 -8.492 13.387 -2.941 1.00 1.14 H new ATOM 0 HE2 HIS A 20 -6.251 13.984 -1.829 1.00 1.05 H new ATOM 283 N LYS A 21 -3.891 9.896 -1.825 1.00 0.49 N ATOM 284 CA LYS A 21 -2.945 9.881 -2.940 1.00 0.53 C ATOM 285 C LYS A 21 -2.488 8.443 -3.191 1.00 0.46 C ATOM 286 O LYS A 21 -2.521 7.986 -4.334 1.00 0.53 O ATOM 287 CB LYS A 21 -1.763 10.826 -2.663 1.00 0.65 C ATOM 288 CG LYS A 21 -0.620 10.778 -3.689 1.00 0.82 C ATOM 289 CD LYS A 21 0.526 11.679 -3.197 1.00 1.39 C ATOM 290 CE LYS A 21 1.775 11.549 -4.084 1.00 2.21 C ATOM 291 NZ LYS A 21 2.986 12.111 -3.442 1.00 3.43 N ATOM 0 H LYS A 21 -3.652 10.551 -1.080 1.00 0.49 H new ATOM 0 HA LYS A 21 -3.433 10.247 -3.843 1.00 0.53 H new ATOM 0 HB2 LYS A 21 -2.141 11.847 -2.615 1.00 0.65 H new ATOM 0 HB3 LYS A 21 -1.355 10.590 -1.680 1.00 0.65 H new ATOM 0 HG2 LYS A 21 -0.268 9.754 -3.814 1.00 0.82 H new ATOM 0 HG3 LYS A 21 -0.973 11.115 -4.664 1.00 0.82 H new ATOM 0 HD2 LYS A 21 0.194 12.717 -3.187 1.00 1.39 H new ATOM 0 HD3 LYS A 21 0.780 11.416 -2.170 1.00 1.39 H new ATOM 0 HE2 LYS A 21 1.945 10.497 -4.315 1.00 2.21 H new ATOM 0 HE3 LYS A 21 1.599 12.059 -5.031 1.00 2.21 H new ATOM 0 HZ1 LYS A 21 3.833 11.665 -3.848 1.00 3.43 H new ATOM 0 HZ2 LYS A 21 3.022 13.137 -3.607 1.00 3.43 H new ATOM 0 HZ3 LYS A 21 2.954 11.926 -2.419 1.00 3.43 H new ATOM 305 N ILE A 22 -2.067 7.726 -2.141 1.00 0.41 N ATOM 306 CA ILE A 22 -1.666 6.332 -2.302 1.00 0.44 C ATOM 307 C ILE A 22 -2.819 5.536 -2.911 1.00 0.50 C ATOM 308 O ILE A 22 -2.655 4.950 -3.981 1.00 0.55 O ATOM 309 CB ILE A 22 -1.158 5.711 -0.986 1.00 0.57 C ATOM 310 CG1 ILE A 22 0.094 6.455 -0.495 1.00 0.58 C ATOM 311 CG2 ILE A 22 -0.804 4.227 -1.195 1.00 0.74 C ATOM 312 CD1 ILE A 22 0.415 6.143 0.966 1.00 0.79 C ATOM 0 H ILE A 22 -1.997 8.085 -1.189 1.00 0.41 H new ATOM 0 HA ILE A 22 -0.819 6.294 -2.987 1.00 0.44 H new ATOM 0 HB ILE A 22 -1.951 5.796 -0.243 1.00 0.57 H new ATOM 0 HG12 ILE A 22 0.945 6.181 -1.119 1.00 0.58 H new ATOM 0 HG13 ILE A 22 -0.054 7.529 -0.611 1.00 0.58 H new ATOM 0 HG21 ILE A 22 -0.447 3.803 -0.257 1.00 0.74 H new ATOM 0 HG22 ILE A 22 -1.690 3.685 -1.525 1.00 0.74 H new ATOM 0 HG23 ILE A 22 -0.024 4.142 -1.952 1.00 0.74 H new ATOM 0 HD11 ILE A 22 1.307 6.691 1.268 1.00 0.79 H new ATOM 0 HD12 ILE A 22 -0.424 6.441 1.595 1.00 0.79 H new ATOM 0 HD13 ILE A 22 0.591 5.073 1.079 1.00 0.79 H new ATOM 324 N GLU A 23 -3.979 5.505 -2.248 1.00 0.55 N ATOM 325 CA GLU A 23 -5.066 4.626 -2.672 1.00 0.68 C ATOM 326 C GLU A 23 -5.501 4.941 -4.106 1.00 0.64 C ATOM 327 O GLU A 23 -5.570 4.056 -4.959 1.00 0.77 O ATOM 328 CB GLU A 23 -6.192 4.598 -1.622 1.00 0.82 C ATOM 329 CG GLU A 23 -7.343 5.600 -1.744 1.00 2.04 C ATOM 330 CD GLU A 23 -8.278 5.345 -2.919 1.00 3.41 C ATOM 331 OE1 GLU A 23 -8.445 4.156 -3.262 1.00 3.91 O ATOM 332 OE2 GLU A 23 -8.782 6.350 -3.463 1.00 4.65 O ATOM 0 H GLU A 23 -4.186 6.072 -1.426 1.00 0.55 H new ATOM 0 HA GLU A 23 -4.712 3.596 -2.719 1.00 0.68 H new ATOM 0 HB2 GLU A 23 -6.624 3.597 -1.629 1.00 0.82 H new ATOM 0 HB3 GLU A 23 -5.734 4.740 -0.643 1.00 0.82 H new ATOM 0 HG2 GLU A 23 -7.924 5.581 -0.822 1.00 2.04 H new ATOM 0 HG3 GLU A 23 -6.927 6.603 -1.838 1.00 2.04 H new ATOM 339 N SER A 24 -5.704 6.226 -4.390 1.00 0.56 N ATOM 340 CA SER A 24 -6.088 6.737 -5.696 1.00 0.65 C ATOM 341 C SER A 24 -5.072 6.322 -6.763 1.00 0.71 C ATOM 342 O SER A 24 -5.449 6.075 -7.906 1.00 1.02 O ATOM 343 CB SER A 24 -6.243 8.261 -5.607 1.00 0.69 C ATOM 344 OG SER A 24 -6.709 8.812 -6.824 1.00 1.03 O ATOM 0 H SER A 24 -5.601 6.962 -3.691 1.00 0.56 H new ATOM 0 HA SER A 24 -7.044 6.308 -5.996 1.00 0.65 H new ATOM 0 HB2 SER A 24 -6.938 8.510 -4.805 1.00 0.69 H new ATOM 0 HB3 SER A 24 -5.284 8.710 -5.348 1.00 0.69 H new ATOM 0 HG SER A 24 -6.797 9.784 -6.731 1.00 1.03 H new ATOM 350 N SER A 25 -3.784 6.230 -6.412 1.00 0.53 N ATOM 351 CA SER A 25 -2.787 5.703 -7.329 1.00 0.55 C ATOM 352 C SER A 25 -2.981 4.196 -7.478 1.00 0.59 C ATOM 353 O SER A 25 -3.232 3.695 -8.570 1.00 0.83 O ATOM 354 CB SER A 25 -1.373 6.049 -6.853 1.00 0.66 C ATOM 355 OG SER A 25 -1.244 7.448 -6.700 1.00 1.67 O ATOM 0 H SER A 25 -3.417 6.514 -5.504 1.00 0.53 H new ATOM 0 HA SER A 25 -2.915 6.165 -8.308 1.00 0.55 H new ATOM 0 HB2 SER A 25 -1.167 5.551 -5.906 1.00 0.66 H new ATOM 0 HB3 SER A 25 -0.639 5.684 -7.571 1.00 0.66 H new ATOM 0 HG SER A 25 -1.551 7.709 -5.807 1.00 1.67 H new ATOM 361 N LEU A 26 -2.862 3.462 -6.371 1.00 0.58 N ATOM 362 CA LEU A 26 -2.843 2.008 -6.372 1.00 0.69 C ATOM 363 C LEU A 26 -4.061 1.417 -7.073 1.00 0.67 C ATOM 364 O LEU A 26 -3.927 0.479 -7.859 1.00 0.70 O ATOM 365 CB LEU A 26 -2.736 1.481 -4.936 1.00 0.82 C ATOM 366 CG LEU A 26 -1.304 1.110 -4.523 1.00 0.90 C ATOM 367 CD1 LEU A 26 -0.707 -0.040 -5.345 1.00 2.74 C ATOM 368 CD2 LEU A 26 -0.378 2.328 -4.551 1.00 2.12 C ATOM 0 H LEU A 26 -2.775 3.870 -5.440 1.00 0.58 H new ATOM 0 HA LEU A 26 -1.966 1.691 -6.936 1.00 0.69 H new ATOM 0 HB2 LEU A 26 -3.119 2.237 -4.251 1.00 0.82 H new ATOM 0 HB3 LEU A 26 -3.374 0.604 -4.831 1.00 0.82 H new ATOM 0 HG LEU A 26 -1.381 0.751 -3.497 1.00 0.90 H new ATOM 0 HD11 LEU A 26 0.305 -0.248 -4.998 1.00 2.74 H new ATOM 0 HD12 LEU A 26 -1.322 -0.932 -5.224 1.00 2.74 H new ATOM 0 HD13 LEU A 26 -0.680 0.241 -6.398 1.00 2.74 H new ATOM 0 HD21 LEU A 26 0.627 2.028 -4.253 1.00 2.12 H new ATOM 0 HD22 LEU A 26 -0.350 2.740 -5.560 1.00 2.12 H new ATOM 0 HD23 LEU A 26 -0.751 3.084 -3.860 1.00 2.12 H new ATOM 380 N THR A 27 -5.247 1.969 -6.823 1.00 0.67 N ATOM 381 CA THR A 27 -6.481 1.483 -7.419 1.00 0.72 C ATOM 382 C THR A 27 -6.434 1.491 -8.959 1.00 0.74 C ATOM 383 O THR A 27 -7.220 0.787 -9.604 1.00 1.11 O ATOM 384 CB THR A 27 -7.682 2.272 -6.883 1.00 0.92 C ATOM 385 OG1 THR A 27 -7.421 3.657 -6.962 1.00 2.26 O ATOM 386 CG2 THR A 27 -8.014 1.889 -5.439 1.00 1.37 C ATOM 0 H THR A 27 -5.375 2.767 -6.200 1.00 0.67 H new ATOM 0 HA THR A 27 -6.598 0.440 -7.126 1.00 0.72 H new ATOM 0 HB THR A 27 -8.545 2.023 -7.501 1.00 0.92 H new ATOM 0 HG1 THR A 27 -6.879 3.932 -6.193 1.00 2.26 H new ATOM 0 HG21 THR A 27 -8.870 2.470 -5.096 1.00 1.37 H new ATOM 0 HG22 THR A 27 -8.253 0.827 -5.390 1.00 1.37 H new ATOM 0 HG23 THR A 27 -7.155 2.097 -4.801 1.00 1.37 H new ATOM 394 N LYS A 28 -5.514 2.253 -9.571 1.00 0.76 N ATOM 395 CA LYS A 28 -5.301 2.275 -11.012 1.00 0.78 C ATOM 396 C LYS A 28 -4.658 0.973 -11.512 1.00 0.76 C ATOM 397 O LYS A 28 -4.893 0.604 -12.661 1.00 0.91 O ATOM 398 CB LYS A 28 -4.440 3.476 -11.433 1.00 0.90 C ATOM 399 CG LYS A 28 -4.925 4.829 -10.889 1.00 2.09 C ATOM 400 CD LYS A 28 -6.257 5.345 -11.449 1.00 3.55 C ATOM 401 CE LYS A 28 -6.134 5.764 -12.921 1.00 4.52 C ATOM 402 NZ LYS A 28 -7.338 6.483 -13.390 1.00 6.34 N ATOM 0 H LYS A 28 -4.890 2.879 -9.062 1.00 0.76 H new ATOM 0 HA LYS A 28 -6.284 2.371 -11.472 1.00 0.78 H new ATOM 0 HB2 LYS A 28 -3.417 3.309 -11.097 1.00 0.90 H new ATOM 0 HB3 LYS A 28 -4.414 3.525 -12.522 1.00 0.90 H new ATOM 0 HG2 LYS A 28 -5.016 4.750 -9.806 1.00 2.09 H new ATOM 0 HG3 LYS A 28 -4.156 5.575 -11.091 1.00 2.09 H new ATOM 0 HD2 LYS A 28 -7.016 4.568 -11.355 1.00 3.55 H new ATOM 0 HD3 LYS A 28 -6.595 6.195 -10.856 1.00 3.55 H new ATOM 0 HE2 LYS A 28 -5.259 6.401 -13.045 1.00 4.52 H new ATOM 0 HE3 LYS A 28 -5.975 4.880 -13.538 1.00 4.52 H new ATOM 0 HZ1 LYS A 28 -7.217 6.749 -14.388 1.00 6.34 H new ATOM 0 HZ2 LYS A 28 -8.170 5.866 -13.295 1.00 6.34 H new ATOM 0 HZ3 LYS A 28 -7.476 7.340 -12.817 1.00 6.34 H new ATOM 416 N HIS A 29 -3.879 0.269 -10.679 1.00 0.67 N ATOM 417 CA HIS A 29 -2.985 -0.799 -11.134 1.00 0.85 C ATOM 418 C HIS A 29 -3.714 -2.069 -11.602 1.00 1.35 C ATOM 419 O HIS A 29 -3.088 -2.949 -12.187 1.00 3.17 O ATOM 420 CB HIS A 29 -1.957 -1.128 -10.039 1.00 0.78 C ATOM 421 CG HIS A 29 -0.901 -0.066 -9.826 1.00 0.87 C ATOM 422 ND1 HIS A 29 0.462 -0.274 -9.818 1.00 1.57 N ATOM 423 CD2 HIS A 29 -1.105 1.275 -9.639 1.00 1.40 C ATOM 424 CE1 HIS A 29 1.056 0.919 -9.635 1.00 1.49 C ATOM 425 NE2 HIS A 29 0.140 1.894 -9.520 1.00 1.35 N ATOM 0 H HIS A 29 -3.853 0.426 -9.671 1.00 0.67 H new ATOM 0 HA HIS A 29 -2.474 -0.416 -12.017 1.00 0.85 H new ATOM 0 HB2 HIS A 29 -2.486 -1.289 -9.100 1.00 0.78 H new ATOM 0 HB3 HIS A 29 -1.464 -2.066 -10.292 1.00 0.78 H new ATOM 0 HD2 HIS A 29 -2.064 1.769 -9.592 1.00 1.40 H new ATOM 0 HE1 HIS A 29 2.124 1.072 -9.587 1.00 1.49 H new ATOM 0 HE2 HIS A 29 0.318 2.888 -9.375 1.00 1.35 H new ATOM 433 N ARG A 30 -5.018 -2.193 -11.334 1.00 0.95 N ATOM 434 CA ARG A 30 -5.886 -3.300 -11.744 1.00 1.00 C ATOM 435 C ARG A 30 -5.623 -4.594 -10.984 1.00 1.01 C ATOM 436 O ARG A 30 -6.582 -5.209 -10.528 1.00 1.80 O ATOM 437 CB ARG A 30 -5.930 -3.522 -13.269 1.00 1.35 C ATOM 438 CG ARG A 30 -6.321 -2.287 -14.096 1.00 2.44 C ATOM 439 CD ARG A 30 -7.832 -1.989 -14.175 1.00 3.21 C ATOM 440 NE ARG A 30 -8.515 -1.932 -12.869 1.00 4.10 N ATOM 441 CZ ARG A 30 -8.325 -0.998 -11.922 1.00 5.59 C ATOM 442 NH1 ARG A 30 -7.513 0.033 -12.131 1.00 6.43 N ATOM 443 NH2 ARG A 30 -8.898 -1.102 -10.720 1.00 6.91 N ATOM 0 H ARG A 30 -5.522 -1.487 -10.797 1.00 0.95 H new ATOM 0 HA ARG A 30 -6.887 -2.977 -11.458 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -4.950 -3.866 -13.599 1.00 1.35 H new ATOM 0 HB3 ARG A 30 -6.637 -4.323 -13.484 1.00 1.35 H new ATOM 0 HG2 ARG A 30 -5.819 -1.416 -13.675 1.00 2.44 H new ATOM 0 HG3 ARG A 30 -5.941 -2.415 -15.109 1.00 2.44 H new ATOM 0 HD2 ARG A 30 -7.975 -1.037 -14.687 1.00 3.21 H new ATOM 0 HD3 ARG A 30 -8.309 -2.755 -14.787 1.00 3.21 H new ATOM 0 HE ARG A 30 -9.192 -2.667 -12.667 1.00 4.10 H new ATOM 0 HH11 ARG A 30 -7.023 0.124 -13.021 1.00 6.43 H new ATOM 0 HH12 ARG A 30 -7.380 0.733 -11.402 1.00 6.43 H new ATOM 0 HH21 ARG A 30 -9.493 -1.902 -10.506 1.00 6.91 H new ATOM 0 HH22 ARG A 30 -8.740 -0.381 -10.016 1.00 6.91 H new ATOM 457 N GLY A 31 -4.364 -4.987 -10.792 1.00 0.84 N ATOM 458 CA GLY A 31 -4.020 -6.086 -9.901 1.00 0.80 C ATOM 459 C GLY A 31 -4.173 -5.680 -8.439 1.00 0.83 C ATOM 460 O GLY A 31 -3.231 -5.784 -7.659 1.00 1.65 O ATOM 0 H GLY A 31 -3.561 -4.553 -11.248 1.00 0.84 H new ATOM 0 HA2 GLY A 31 -4.660 -6.943 -10.112 1.00 0.80 H new ATOM 0 HA3 GLY A 31 -2.994 -6.401 -10.088 1.00 0.80 H new ATOM 464 N ILE A 32 -5.345 -5.164 -8.076 1.00 1.23 N ATOM 465 CA ILE A 32 -5.689 -4.783 -6.730 1.00 1.14 C ATOM 466 C ILE A 32 -7.123 -5.243 -6.497 1.00 1.11 C ATOM 467 O ILE A 32 -7.999 -4.998 -7.325 1.00 1.44 O ATOM 468 CB ILE A 32 -5.492 -3.272 -6.516 1.00 1.49 C ATOM 469 CG1 ILE A 32 -6.375 -2.399 -7.428 1.00 2.61 C ATOM 470 CG2 ILE A 32 -4.017 -2.883 -6.691 1.00 1.67 C ATOM 471 CD1 ILE A 32 -7.641 -1.925 -6.703 1.00 3.40 C ATOM 0 H ILE A 32 -6.099 -4.998 -8.742 1.00 1.23 H new ATOM 0 HA ILE A 32 -5.035 -5.257 -5.998 1.00 1.14 H new ATOM 0 HB ILE A 32 -5.807 -3.076 -5.491 1.00 1.49 H new ATOM 0 HG12 ILE A 32 -5.805 -1.535 -7.768 1.00 2.61 H new ATOM 0 HG13 ILE A 32 -6.654 -2.966 -8.316 1.00 2.61 H new ATOM 0 HG21 ILE A 32 -3.903 -1.810 -6.535 1.00 1.67 H new ATOM 0 HG22 ILE A 32 -3.410 -3.422 -5.964 1.00 1.67 H new ATOM 0 HG23 ILE A 32 -3.690 -3.140 -7.699 1.00 1.67 H new ATOM 0 HD11 ILE A 32 -8.239 -1.312 -7.378 1.00 3.40 H new ATOM 0 HD12 ILE A 32 -8.224 -2.790 -6.386 1.00 3.40 H new ATOM 0 HD13 ILE A 32 -7.361 -1.336 -5.830 1.00 3.40 H new ATOM 483 N LEU A 33 -7.356 -5.879 -5.354 1.00 0.85 N ATOM 484 CA LEU A 33 -8.679 -6.156 -4.833 1.00 0.90 C ATOM 485 C LEU A 33 -9.107 -4.960 -3.982 1.00 0.76 C ATOM 486 O LEU A 33 -10.245 -4.508 -4.086 1.00 0.89 O ATOM 487 CB LEU A 33 -8.655 -7.446 -3.999 1.00 0.93 C ATOM 488 CG LEU A 33 -8.182 -8.687 -4.775 1.00 1.17 C ATOM 489 CD1 LEU A 33 -7.913 -9.836 -3.794 1.00 2.28 C ATOM 490 CD2 LEU A 33 -9.230 -9.127 -5.803 1.00 1.85 C ATOM 0 H LEU A 33 -6.607 -6.223 -4.753 1.00 0.85 H new ATOM 0 HA LEU A 33 -9.391 -6.303 -5.645 1.00 0.90 H new ATOM 0 HB2 LEU A 33 -8.002 -7.298 -3.139 1.00 0.93 H new ATOM 0 HB3 LEU A 33 -9.656 -7.633 -3.610 1.00 0.93 H new ATOM 0 HG LEU A 33 -7.266 -8.430 -5.306 1.00 1.17 H new ATOM 0 HD11 LEU A 33 -7.578 -10.714 -4.346 1.00 2.28 H new ATOM 0 HD12 LEU A 33 -7.141 -9.536 -3.085 1.00 2.28 H new ATOM 0 HD13 LEU A 33 -8.829 -10.075 -3.253 1.00 2.28 H new ATOM 0 HD21 LEU A 33 -8.869 -10.006 -6.337 1.00 1.85 H new ATOM 0 HD22 LEU A 33 -10.162 -9.370 -5.292 1.00 1.85 H new ATOM 0 HD23 LEU A 33 -9.406 -8.318 -6.513 1.00 1.85 H new ATOM 502 N TYR A 34 -8.214 -4.457 -3.115 1.00 0.57 N ATOM 503 CA TYR A 34 -8.526 -3.341 -2.231 1.00 0.54 C ATOM 504 C TYR A 34 -7.250 -2.620 -1.785 1.00 0.50 C ATOM 505 O TYR A 34 -6.193 -3.246 -1.716 1.00 0.47 O ATOM 506 CB TYR A 34 -9.316 -3.856 -1.019 1.00 0.60 C ATOM 507 CG TYR A 34 -10.075 -2.763 -0.305 1.00 0.67 C ATOM 508 CD1 TYR A 34 -11.309 -2.324 -0.818 1.00 2.25 C ATOM 509 CD2 TYR A 34 -9.456 -2.049 0.735 1.00 1.76 C ATOM 510 CE1 TYR A 34 -11.897 -1.148 -0.322 1.00 2.60 C ATOM 511 CE2 TYR A 34 -10.012 -0.840 1.179 1.00 1.76 C ATOM 512 CZ TYR A 34 -11.227 -0.381 0.643 1.00 1.51 C ATOM 513 OH TYR A 34 -11.744 0.816 1.034 1.00 2.09 O ATOM 0 H TYR A 34 -7.264 -4.815 -3.013 1.00 0.57 H new ATOM 0 HA TYR A 34 -9.136 -2.619 -2.774 1.00 0.54 H new ATOM 0 HB2 TYR A 34 -10.017 -4.623 -1.348 1.00 0.60 H new ATOM 0 HB3 TYR A 34 -8.629 -4.331 -0.319 1.00 0.60 H new ATOM 0 HD1 TYR A 34 -11.804 -2.890 -1.593 1.00 2.25 H new ATOM 0 HD2 TYR A 34 -8.554 -2.430 1.191 1.00 1.76 H new ATOM 0 HE1 TYR A 34 -12.865 -0.834 -0.684 1.00 2.60 H new ATOM 0 HE2 TYR A 34 -9.504 -0.260 1.935 1.00 1.76 H new ATOM 0 HH TYR A 34 -11.160 1.220 1.709 1.00 2.09 H new ATOM 523 N CYS A 35 -7.362 -1.331 -1.437 1.00 0.58 N ATOM 524 CA CYS A 35 -6.305 -0.543 -0.801 1.00 0.63 C ATOM 525 C CYS A 35 -6.863 0.182 0.434 1.00 0.66 C ATOM 526 O CYS A 35 -7.695 1.074 0.301 1.00 1.12 O ATOM 527 CB CYS A 35 -5.742 0.471 -1.798 1.00 0.76 C ATOM 528 SG CYS A 35 -4.354 1.302 -1.002 1.00 2.08 S ATOM 0 H CYS A 35 -8.215 -0.795 -1.596 1.00 0.58 H new ATOM 0 HA CYS A 35 -5.503 -1.210 -0.485 1.00 0.63 H new ATOM 0 HB2 CYS A 35 -5.417 -0.029 -2.711 1.00 0.76 H new ATOM 0 HB3 CYS A 35 -6.507 1.192 -2.085 1.00 0.76 H new ATOM 0 HG CYS A 35 -3.594 1.841 -1.908 1.00 2.08 H new ATOM 534 N SER A 36 -6.446 -0.226 1.639 1.00 0.52 N ATOM 535 CA SER A 36 -6.867 0.317 2.927 1.00 0.68 C ATOM 536 C SER A 36 -5.645 0.949 3.591 1.00 0.58 C ATOM 537 O SER A 36 -4.981 0.325 4.426 1.00 0.68 O ATOM 538 CB SER A 36 -7.463 -0.786 3.820 1.00 1.08 C ATOM 539 OG SER A 36 -7.793 -0.290 5.111 1.00 1.73 O ATOM 0 H SER A 36 -5.771 -0.983 1.742 1.00 0.52 H new ATOM 0 HA SER A 36 -7.645 1.066 2.780 1.00 0.68 H new ATOM 0 HB2 SER A 36 -8.356 -1.195 3.347 1.00 1.08 H new ATOM 0 HB3 SER A 36 -6.749 -1.604 3.915 1.00 1.08 H new ATOM 0 HG SER A 36 -8.170 -1.014 5.653 1.00 1.73 H new ATOM 545 N VAL A 37 -5.374 2.200 3.240 1.00 0.63 N ATOM 546 CA VAL A 37 -4.333 3.015 3.846 1.00 0.59 C ATOM 547 C VAL A 37 -4.901 3.821 5.011 1.00 0.66 C ATOM 548 O VAL A 37 -6.088 4.141 5.020 1.00 0.81 O ATOM 549 CB VAL A 37 -3.694 3.928 2.789 1.00 0.75 C ATOM 550 CG1 VAL A 37 -2.590 3.196 2.029 1.00 1.54 C ATOM 551 CG2 VAL A 37 -4.715 4.464 1.785 1.00 2.10 C ATOM 0 H VAL A 37 -5.887 2.687 2.506 1.00 0.63 H new ATOM 0 HA VAL A 37 -3.554 2.363 4.242 1.00 0.59 H new ATOM 0 HB VAL A 37 -3.272 4.773 3.334 1.00 0.75 H new ATOM 0 HG11 VAL A 37 -2.154 3.865 1.287 1.00 1.54 H new ATOM 0 HG12 VAL A 37 -1.817 2.877 2.728 1.00 1.54 H new ATOM 0 HG13 VAL A 37 -3.010 2.323 1.529 1.00 1.54 H new ATOM 0 HG21 VAL A 37 -4.211 5.103 1.060 1.00 2.10 H new ATOM 0 HG22 VAL A 37 -5.188 3.630 1.266 1.00 2.10 H new ATOM 0 HG23 VAL A 37 -5.475 5.041 2.312 1.00 2.10 H new ATOM 561 N ALA A 38 -4.058 4.151 5.995 1.00 0.65 N ATOM 562 CA ALA A 38 -4.422 5.083 7.056 1.00 0.78 C ATOM 563 C ALA A 38 -3.173 5.729 7.637 1.00 0.80 C ATOM 564 O ALA A 38 -2.215 5.022 7.944 1.00 0.84 O ATOM 565 CB ALA A 38 -5.160 4.363 8.184 1.00 0.81 C ATOM 0 H ALA A 38 -3.111 3.780 6.074 1.00 0.65 H new ATOM 0 HA ALA A 38 -5.073 5.842 6.622 1.00 0.78 H new ATOM 0 HB1 ALA A 38 -5.421 5.079 8.963 1.00 0.81 H new ATOM 0 HB2 ALA A 38 -6.069 3.907 7.791 1.00 0.81 H new ATOM 0 HB3 ALA A 38 -4.517 3.589 8.603 1.00 0.81 H new ATOM 571 N LEU A 39 -3.208 7.050 7.840 1.00 0.89 N ATOM 572 CA LEU A 39 -2.181 7.748 8.603 1.00 0.88 C ATOM 573 C LEU A 39 -2.277 7.375 10.081 1.00 0.85 C ATOM 574 O LEU A 39 -1.257 7.298 10.756 1.00 0.88 O ATOM 575 CB LEU A 39 -2.223 9.266 8.356 1.00 1.08 C ATOM 576 CG LEU A 39 -3.453 10.013 8.911 1.00 0.93 C ATOM 577 CD1 LEU A 39 -3.237 10.501 10.352 1.00 1.45 C ATOM 578 CD2 LEU A 39 -3.718 11.255 8.054 1.00 1.54 C ATOM 0 H LEU A 39 -3.945 7.657 7.481 1.00 0.89 H new ATOM 0 HA LEU A 39 -1.201 7.423 8.253 1.00 0.88 H new ATOM 0 HB2 LEU A 39 -1.328 9.709 8.792 1.00 1.08 H new ATOM 0 HB3 LEU A 39 -2.173 9.440 7.281 1.00 1.08 H new ATOM 0 HG LEU A 39 -4.287 9.311 8.891 1.00 0.93 H new ATOM 0 HD11 LEU A 39 -4.131 11.021 10.698 1.00 1.45 H new ATOM 0 HD12 LEU A 39 -3.040 9.647 11.000 1.00 1.45 H new ATOM 0 HD13 LEU A 39 -2.387 11.182 10.382 1.00 1.45 H new ATOM 0 HD21 LEU A 39 -4.587 11.786 8.442 1.00 1.54 H new ATOM 0 HD22 LEU A 39 -2.848 11.911 8.085 1.00 1.54 H new ATOM 0 HD23 LEU A 39 -3.908 10.953 7.024 1.00 1.54 H new ATOM 590 N ALA A 40 -3.489 7.103 10.582 1.00 0.95 N ATOM 591 CA ALA A 40 -3.728 6.807 11.993 1.00 1.06 C ATOM 592 C ALA A 40 -2.781 5.717 12.500 1.00 0.97 C ATOM 593 O ALA A 40 -2.154 5.864 13.544 1.00 1.18 O ATOM 594 CB ALA A 40 -5.191 6.399 12.190 1.00 1.28 C ATOM 0 H ALA A 40 -4.335 7.083 10.012 1.00 0.95 H new ATOM 0 HA ALA A 40 -3.528 7.705 12.578 1.00 1.06 H new ATOM 0 HB1 ALA A 40 -5.369 6.178 13.243 1.00 1.28 H new ATOM 0 HB2 ALA A 40 -5.842 7.215 11.875 1.00 1.28 H new ATOM 0 HB3 ALA A 40 -5.405 5.513 11.592 1.00 1.28 H new ATOM 600 N THR A 41 -2.682 4.630 11.737 1.00 0.83 N ATOM 601 CA THR A 41 -1.803 3.502 11.992 1.00 0.83 C ATOM 602 C THR A 41 -0.598 3.501 11.037 1.00 0.87 C ATOM 603 O THR A 41 0.142 2.522 10.999 1.00 1.22 O ATOM 604 CB THR A 41 -2.661 2.235 11.860 1.00 0.91 C ATOM 605 OG1 THR A 41 -3.644 2.436 10.857 1.00 2.24 O ATOM 606 CG2 THR A 41 -3.401 1.956 13.171 1.00 1.84 C ATOM 0 H THR A 41 -3.238 4.511 10.890 1.00 0.83 H new ATOM 0 HA THR A 41 -1.372 3.558 12.992 1.00 0.83 H new ATOM 0 HB THR A 41 -2.005 1.401 11.610 1.00 0.91 H new ATOM 0 HG1 THR A 41 -4.202 1.634 10.781 1.00 2.24 H new ATOM 0 HG21 THR A 41 -4.005 1.055 13.063 1.00 1.84 H new ATOM 0 HG22 THR A 41 -2.678 1.814 13.974 1.00 1.84 H new ATOM 0 HG23 THR A 41 -4.048 2.800 13.411 1.00 1.84 H new ATOM 614 N ASN A 42 -0.396 4.586 10.277 1.00 0.74 N ATOM 615 CA ASN A 42 0.631 4.739 9.243 1.00 0.85 C ATOM 616 C ASN A 42 0.793 3.483 8.400 1.00 0.93 C ATOM 617 O ASN A 42 1.914 3.037 8.190 1.00 1.26 O ATOM 618 CB ASN A 42 1.968 5.164 9.871 1.00 0.97 C ATOM 619 CG ASN A 42 1.806 6.486 10.598 1.00 1.01 C ATOM 620 OD1 ASN A 42 1.948 6.565 11.813 1.00 1.61 O ATOM 621 ND2 ASN A 42 1.439 7.525 9.858 1.00 1.54 N ATOM 0 H ASN A 42 -0.974 5.421 10.373 1.00 0.74 H new ATOM 0 HA ASN A 42 0.299 5.527 8.567 1.00 0.85 H new ATOM 0 HB2 ASN A 42 2.312 4.398 10.566 1.00 0.97 H new ATOM 0 HB3 ASN A 42 2.729 5.257 9.096 1.00 0.97 H new ATOM 0 HD21 ASN A 42 1.265 8.428 10.298 1.00 1.54 H new ATOM 0 HD22 ASN A 42 1.331 7.420 8.849 1.00 1.54 H new ATOM 628 N LYS A 43 -0.316 2.911 7.928 1.00 0.73 N ATOM 629 CA LYS A 43 -0.345 1.560 7.379 1.00 0.68 C ATOM 630 C LYS A 43 -0.958 1.532 5.990 1.00 0.59 C ATOM 631 O LYS A 43 -1.556 2.523 5.557 1.00 0.75 O ATOM 632 CB LYS A 43 -1.056 0.618 8.360 1.00 0.78 C ATOM 633 CG LYS A 43 -2.548 0.891 8.574 1.00 1.30 C ATOM 634 CD LYS A 43 -3.449 0.303 7.481 1.00 1.23 C ATOM 635 CE LYS A 43 -4.921 0.332 7.915 1.00 1.53 C ATOM 636 NZ LYS A 43 -5.781 -0.331 6.913 1.00 2.45 N ATOM 0 H LYS A 43 -1.223 3.377 7.917 1.00 0.73 H new ATOM 0 HA LYS A 43 0.678 1.205 7.257 1.00 0.68 H new ATOM 0 HB2 LYS A 43 -0.939 -0.405 8.003 1.00 0.78 H new ATOM 0 HB3 LYS A 43 -0.552 0.678 9.324 1.00 0.78 H new ATOM 0 HG2 LYS A 43 -2.848 0.481 9.538 1.00 1.30 H new ATOM 0 HG3 LYS A 43 -2.707 1.968 8.622 1.00 1.30 H new ATOM 0 HD2 LYS A 43 -3.326 0.870 6.558 1.00 1.23 H new ATOM 0 HD3 LYS A 43 -3.148 -0.723 7.268 1.00 1.23 H new ATOM 0 HE2 LYS A 43 -5.030 -0.165 8.879 1.00 1.53 H new ATOM 0 HE3 LYS A 43 -5.244 1.364 8.051 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 -6.685 0.179 6.839 1.00 2.45 H new ATOM 0 HZ2 LYS A 43 -5.304 -0.326 5.989 1.00 2.45 H new ATOM 0 HZ3 LYS A 43 -5.960 -1.313 7.205 1.00 2.45 H new ATOM 650 N ALA A 44 -0.863 0.374 5.332 1.00 0.52 N ATOM 651 CA ALA A 44 -1.403 0.123 4.009 1.00 0.58 C ATOM 652 C ALA A 44 -1.758 -1.349 3.868 1.00 0.62 C ATOM 653 O ALA A 44 -0.986 -2.152 3.348 1.00 0.92 O ATOM 654 CB ALA A 44 -0.430 0.569 2.924 1.00 0.68 C ATOM 0 H ALA A 44 -0.390 -0.439 5.727 1.00 0.52 H new ATOM 0 HA ALA A 44 -2.312 0.711 3.883 1.00 0.58 H new ATOM 0 HB1 ALA A 44 -0.862 0.368 1.943 1.00 0.68 H new ATOM 0 HB2 ALA A 44 -0.238 1.637 3.024 1.00 0.68 H new ATOM 0 HB3 ALA A 44 0.506 0.021 3.027 1.00 0.68 H new ATOM 660 N HIS A 45 -2.980 -1.678 4.275 1.00 0.55 N ATOM 661 CA HIS A 45 -3.542 -2.990 4.052 1.00 0.57 C ATOM 662 C HIS A 45 -4.021 -3.024 2.605 1.00 0.49 C ATOM 663 O HIS A 45 -5.116 -2.557 2.293 1.00 0.57 O ATOM 664 CB HIS A 45 -4.566 -3.288 5.154 1.00 0.73 C ATOM 665 CG HIS A 45 -5.054 -4.710 5.181 1.00 0.83 C ATOM 666 ND1 HIS A 45 -5.243 -5.484 6.304 1.00 0.88 N ATOM 667 CD2 HIS A 45 -5.420 -5.453 4.094 1.00 0.98 C ATOM 668 CE1 HIS A 45 -5.732 -6.667 5.896 1.00 1.00 C ATOM 669 NE2 HIS A 45 -5.868 -6.691 4.560 1.00 1.06 N ATOM 0 H HIS A 45 -3.602 -1.037 4.768 1.00 0.55 H new ATOM 0 HA HIS A 45 -2.835 -3.815 4.143 1.00 0.57 H new ATOM 0 HB2 HIS A 45 -4.121 -3.051 6.120 1.00 0.73 H new ATOM 0 HB3 HIS A 45 -5.422 -2.625 5.026 1.00 0.73 H new ATOM 0 HD1 HIS A 45 -5.048 -5.210 7.267 1.00 0.88 H new ATOM 0 HD2 HIS A 45 -5.372 -5.140 3.062 1.00 0.98 H new ATOM 0 HE1 HIS A 45 -5.982 -7.487 6.553 1.00 1.00 H new ATOM 677 N ILE A 46 -3.177 -3.564 1.723 1.00 0.53 N ATOM 678 CA ILE A 46 -3.520 -3.847 0.343 1.00 0.49 C ATOM 679 C ILE A 46 -3.973 -5.302 0.286 1.00 0.51 C ATOM 680 O ILE A 46 -3.409 -6.184 0.932 1.00 0.77 O ATOM 681 CB ILE A 46 -2.342 -3.581 -0.619 1.00 0.58 C ATOM 682 CG1 ILE A 46 -2.131 -2.089 -0.927 1.00 1.47 C ATOM 683 CG2 ILE A 46 -2.597 -4.230 -1.989 1.00 1.38 C ATOM 684 CD1 ILE A 46 -1.821 -1.222 0.285 1.00 1.67 C ATOM 0 H ILE A 46 -2.218 -3.819 1.961 1.00 0.53 H new ATOM 0 HA ILE A 46 -4.317 -3.181 0.012 1.00 0.49 H new ATOM 0 HB ILE A 46 -1.474 -3.993 -0.105 1.00 0.58 H new ATOM 0 HG12 ILE A 46 -1.315 -1.993 -1.643 1.00 1.47 H new ATOM 0 HG13 ILE A 46 -3.027 -1.703 -1.412 1.00 1.47 H new ATOM 0 HG21 ILE A 46 -1.754 -4.029 -2.650 1.00 1.38 H new ATOM 0 HG22 ILE A 46 -2.713 -5.307 -1.866 1.00 1.38 H new ATOM 0 HG23 ILE A 46 -3.506 -3.815 -2.425 1.00 1.38 H new ATOM 0 HD11 ILE A 46 -1.689 -0.188 -0.032 1.00 1.67 H new ATOM 0 HD12 ILE A 46 -2.646 -1.281 0.995 1.00 1.67 H new ATOM 0 HD13 ILE A 46 -0.906 -1.576 0.761 1.00 1.67 H new ATOM 696 N LYS A 47 -4.994 -5.544 -0.525 1.00 0.45 N ATOM 697 CA LYS A 47 -5.397 -6.858 -0.966 1.00 0.49 C ATOM 698 C LYS A 47 -5.138 -6.844 -2.472 1.00 0.50 C ATOM 699 O LYS A 47 -5.738 -6.013 -3.155 1.00 0.62 O ATOM 700 CB LYS A 47 -6.886 -7.012 -0.636 1.00 0.63 C ATOM 701 CG LYS A 47 -7.233 -6.998 0.859 1.00 0.62 C ATOM 702 CD LYS A 47 -6.886 -8.291 1.606 1.00 1.58 C ATOM 703 CE LYS A 47 -7.940 -9.401 1.499 1.00 1.62 C ATOM 704 NZ LYS A 47 -7.984 -10.030 0.168 1.00 2.60 N ATOM 0 H LYS A 47 -5.580 -4.800 -0.903 1.00 0.45 H new ATOM 0 HA LYS A 47 -4.868 -7.687 -0.496 1.00 0.49 H new ATOM 0 HB2 LYS A 47 -7.435 -6.208 -1.127 1.00 0.63 H new ATOM 0 HB3 LYS A 47 -7.241 -7.949 -1.065 1.00 0.63 H new ATOM 0 HG2 LYS A 47 -6.709 -6.168 1.333 1.00 0.62 H new ATOM 0 HG3 LYS A 47 -8.300 -6.805 0.969 1.00 0.62 H new ATOM 0 HD2 LYS A 47 -5.939 -8.671 1.224 1.00 1.58 H new ATOM 0 HD3 LYS A 47 -6.733 -8.055 2.659 1.00 1.58 H new ATOM 0 HE2 LYS A 47 -7.732 -10.165 2.248 1.00 1.62 H new ATOM 0 HE3 LYS A 47 -8.921 -8.986 1.731 1.00 1.62 H new ATOM 0 HZ1 LYS A 47 -8.350 -11.000 0.254 1.00 2.60 H new ATOM 0 HZ2 LYS A 47 -8.608 -9.479 -0.456 1.00 2.60 H new ATOM 0 HZ3 LYS A 47 -7.026 -10.056 -0.236 1.00 2.60 H new ATOM 718 N TYR A 48 -4.227 -7.682 -2.982 1.00 0.67 N ATOM 719 CA TYR A 48 -3.856 -7.720 -4.395 1.00 0.74 C ATOM 720 C TYR A 48 -4.002 -9.123 -4.978 1.00 0.80 C ATOM 721 O TYR A 48 -3.961 -10.113 -4.253 1.00 0.89 O ATOM 722 CB TYR A 48 -2.433 -7.181 -4.599 1.00 0.90 C ATOM 723 CG TYR A 48 -1.307 -8.011 -4.006 1.00 0.91 C ATOM 724 CD1 TYR A 48 -0.849 -9.161 -4.678 1.00 1.91 C ATOM 725 CD2 TYR A 48 -0.607 -7.553 -2.876 1.00 1.55 C ATOM 726 CE1 TYR A 48 0.233 -9.898 -4.167 1.00 1.98 C ATOM 727 CE2 TYR A 48 0.527 -8.244 -2.421 1.00 1.68 C ATOM 728 CZ TYR A 48 0.902 -9.452 -3.021 1.00 1.19 C ATOM 729 OH TYR A 48 1.933 -10.180 -2.510 1.00 1.36 O ATOM 0 H TYR A 48 -3.722 -8.361 -2.413 1.00 0.67 H new ATOM 0 HA TYR A 48 -4.546 -7.072 -4.935 1.00 0.74 H new ATOM 0 HB2 TYR A 48 -2.256 -7.080 -5.670 1.00 0.90 H new ATOM 0 HB3 TYR A 48 -2.382 -6.180 -4.171 1.00 0.90 H new ATOM 0 HD1 TYR A 48 -1.332 -9.478 -5.591 1.00 1.91 H new ATOM 0 HD2 TYR A 48 -0.943 -6.667 -2.357 1.00 1.55 H new ATOM 0 HE1 TYR A 48 0.548 -10.807 -4.658 1.00 1.98 H new ATOM 0 HE2 TYR A 48 1.111 -7.843 -1.606 1.00 1.68 H new ATOM 0 HH TYR A 48 2.438 -9.631 -1.875 1.00 1.36 H new ATOM 739 N ASP A 49 -4.151 -9.192 -6.300 1.00 0.92 N ATOM 740 CA ASP A 49 -4.237 -10.411 -7.085 1.00 1.28 C ATOM 741 C ASP A 49 -2.804 -10.861 -7.417 1.00 1.30 C ATOM 742 O ASP A 49 -2.095 -10.141 -8.125 1.00 1.23 O ATOM 743 CB ASP A 49 -5.027 -10.119 -8.375 1.00 1.57 C ATOM 744 CG ASP A 49 -6.229 -9.204 -8.171 1.00 3.59 C ATOM 745 OD1 ASP A 49 -5.975 -8.024 -7.834 1.00 5.05 O ATOM 746 OD2 ASP A 49 -7.363 -9.693 -8.355 1.00 4.38 O ATOM 0 H ASP A 49 -4.218 -8.353 -6.877 1.00 0.92 H new ATOM 0 HA ASP A 49 -4.750 -11.200 -6.535 1.00 1.28 H new ATOM 0 HB2 ASP A 49 -4.357 -9.664 -9.105 1.00 1.57 H new ATOM 0 HB3 ASP A 49 -5.369 -11.062 -8.801 1.00 1.57 H new ATOM 751 N PRO A 50 -2.319 -12.012 -6.927 1.00 1.52 N ATOM 752 CA PRO A 50 -0.897 -12.349 -6.976 1.00 1.61 C ATOM 753 C PRO A 50 -0.432 -12.878 -8.344 1.00 1.78 C ATOM 754 O PRO A 50 0.442 -13.742 -8.398 1.00 2.38 O ATOM 755 CB PRO A 50 -0.720 -13.381 -5.855 1.00 1.78 C ATOM 756 CG PRO A 50 -2.056 -14.120 -5.875 1.00 1.91 C ATOM 757 CD PRO A 50 -3.048 -12.986 -6.132 1.00 1.70 C ATOM 0 HA PRO A 50 -0.274 -11.466 -6.836 1.00 1.61 H new ATOM 0 HB2 PRO A 50 0.118 -14.051 -6.048 1.00 1.78 H new ATOM 0 HB3 PRO A 50 -0.533 -12.906 -4.892 1.00 1.78 H new ATOM 0 HG2 PRO A 50 -2.091 -14.877 -6.659 1.00 1.91 H new ATOM 0 HG3 PRO A 50 -2.254 -14.628 -4.931 1.00 1.91 H new ATOM 0 HD2 PRO A 50 -3.929 -13.347 -6.663 1.00 1.70 H new ATOM 0 HD3 PRO A 50 -3.396 -12.549 -5.196 1.00 1.70 H new ATOM 765 N GLU A 51 -0.976 -12.352 -9.449 1.00 1.70 N ATOM 766 CA GLU A 51 -0.666 -12.787 -10.811 1.00 1.84 C ATOM 767 C GLU A 51 -0.577 -11.575 -11.746 1.00 1.74 C ATOM 768 O GLU A 51 -0.954 -11.645 -12.914 1.00 2.96 O ATOM 769 CB GLU A 51 -1.735 -13.783 -11.294 1.00 2.11 C ATOM 770 CG GLU A 51 -1.863 -15.010 -10.379 1.00 2.04 C ATOM 771 CD GLU A 51 -2.778 -16.060 -10.992 1.00 2.48 C ATOM 772 OE1 GLU A 51 -2.352 -16.658 -12.002 1.00 2.89 O ATOM 773 OE2 GLU A 51 -3.887 -16.238 -10.445 1.00 3.30 O ATOM 0 H GLU A 51 -1.659 -11.595 -9.417 1.00 1.70 H new ATOM 0 HA GLU A 51 0.301 -13.289 -10.819 1.00 1.84 H new ATOM 0 HB2 GLU A 51 -2.698 -13.276 -11.351 1.00 2.11 H new ATOM 0 HB3 GLU A 51 -1.488 -14.112 -12.303 1.00 2.11 H new ATOM 0 HG2 GLU A 51 -0.877 -15.441 -10.204 1.00 2.04 H new ATOM 0 HG3 GLU A 51 -2.255 -14.704 -9.409 1.00 2.04 H new ATOM 780 N ILE A 52 -0.107 -10.444 -11.214 1.00 1.04 N ATOM 781 CA ILE A 52 -0.137 -9.142 -11.865 1.00 1.10 C ATOM 782 C ILE A 52 0.671 -8.158 -11.026 1.00 0.91 C ATOM 783 O ILE A 52 1.542 -7.459 -11.538 1.00 1.19 O ATOM 784 CB ILE A 52 -1.597 -8.679 -12.082 1.00 1.25 C ATOM 785 CG1 ILE A 52 -1.739 -7.206 -12.495 1.00 2.81 C ATOM 786 CG2 ILE A 52 -2.541 -8.969 -10.910 1.00 1.69 C ATOM 787 CD1 ILE A 52 -0.976 -6.890 -13.777 1.00 4.01 C ATOM 0 H ILE A 52 0.318 -10.414 -10.287 1.00 1.04 H new ATOM 0 HA ILE A 52 0.317 -9.200 -12.854 1.00 1.10 H new ATOM 0 HB ILE A 52 -1.908 -9.300 -12.922 1.00 1.25 H new ATOM 0 HG12 ILE A 52 -2.794 -6.970 -12.635 1.00 2.81 H new ATOM 0 HG13 ILE A 52 -1.373 -6.568 -11.690 1.00 2.81 H new ATOM 0 HG21 ILE A 52 -3.542 -8.610 -11.151 1.00 1.69 H new ATOM 0 HG22 ILE A 52 -2.575 -10.043 -10.727 1.00 1.69 H new ATOM 0 HG23 ILE A 52 -2.179 -8.460 -10.017 1.00 1.69 H new ATOM 0 HD11 ILE A 52 -1.107 -5.837 -14.028 1.00 4.01 H new ATOM 0 HD12 ILE A 52 0.084 -7.099 -13.631 1.00 4.01 H new ATOM 0 HD13 ILE A 52 -1.359 -7.507 -14.590 1.00 4.01 H new ATOM 799 N ILE A 53 0.386 -8.123 -9.725 1.00 0.69 N ATOM 800 CA ILE A 53 1.003 -7.258 -8.752 1.00 0.67 C ATOM 801 C ILE A 53 1.584 -8.189 -7.694 1.00 0.79 C ATOM 802 O ILE A 53 0.915 -9.116 -7.244 1.00 1.33 O ATOM 803 CB ILE A 53 -0.082 -6.315 -8.194 1.00 0.76 C ATOM 804 CG1 ILE A 53 -0.307 -5.069 -9.069 1.00 1.32 C ATOM 805 CG2 ILE A 53 0.186 -5.890 -6.757 1.00 0.91 C ATOM 806 CD1 ILE A 53 0.824 -4.040 -9.025 1.00 0.77 C ATOM 0 H ILE A 53 -0.319 -8.733 -9.312 1.00 0.69 H new ATOM 0 HA ILE A 53 1.795 -6.626 -9.153 1.00 0.67 H new ATOM 0 HB ILE A 53 -0.996 -6.909 -8.211 1.00 0.76 H new ATOM 0 HG12 ILE A 53 -0.448 -5.388 -10.102 1.00 1.32 H new ATOM 0 HG13 ILE A 53 -1.232 -4.585 -8.756 1.00 1.32 H new ATOM 0 HG21 ILE A 53 -0.611 -5.227 -6.419 1.00 0.91 H new ATOM 0 HG22 ILE A 53 0.221 -6.772 -6.117 1.00 0.91 H new ATOM 0 HG23 ILE A 53 1.140 -5.366 -6.705 1.00 0.91 H new ATOM 0 HD11 ILE A 53 0.576 -3.199 -9.672 1.00 0.77 H new ATOM 0 HD12 ILE A 53 0.954 -3.686 -8.002 1.00 0.77 H new ATOM 0 HD13 ILE A 53 1.749 -4.502 -9.369 1.00 0.77 H new ATOM 818 N GLY A 54 2.834 -7.941 -7.323 1.00 0.91 N ATOM 819 CA GLY A 54 3.506 -8.509 -6.171 1.00 1.09 C ATOM 820 C GLY A 54 3.778 -7.403 -5.147 1.00 0.84 C ATOM 821 O GLY A 54 3.450 -6.237 -5.376 1.00 0.82 O ATOM 0 H GLY A 54 3.434 -7.304 -7.848 1.00 0.91 H new ATOM 0 HA2 GLY A 54 2.890 -9.290 -5.725 1.00 1.09 H new ATOM 0 HA3 GLY A 54 4.442 -8.977 -6.476 1.00 1.09 H new ATOM 825 N PRO A 55 4.403 -7.740 -4.010 1.00 0.81 N ATOM 826 CA PRO A 55 4.669 -6.777 -2.954 1.00 0.82 C ATOM 827 C PRO A 55 5.622 -5.689 -3.455 1.00 0.68 C ATOM 828 O PRO A 55 5.437 -4.512 -3.155 1.00 0.77 O ATOM 829 CB PRO A 55 5.260 -7.593 -1.800 1.00 0.99 C ATOM 830 CG PRO A 55 5.884 -8.809 -2.487 1.00 0.95 C ATOM 831 CD PRO A 55 4.984 -9.037 -3.704 1.00 0.90 C ATOM 0 HA PRO A 55 3.772 -6.251 -2.628 1.00 0.82 H new ATOM 0 HB2 PRO A 55 6.005 -7.021 -1.247 1.00 0.99 H new ATOM 0 HB3 PRO A 55 4.491 -7.889 -1.086 1.00 0.99 H new ATOM 0 HG2 PRO A 55 6.916 -8.617 -2.782 1.00 0.95 H new ATOM 0 HG3 PRO A 55 5.897 -9.678 -1.829 1.00 0.95 H new ATOM 0 HD2 PRO A 55 5.557 -9.419 -4.549 1.00 0.90 H new ATOM 0 HD3 PRO A 55 4.209 -9.772 -3.486 1.00 0.90 H new ATOM 839 N ARG A 56 6.637 -6.088 -4.231 1.00 0.61 N ATOM 840 CA ARG A 56 7.634 -5.176 -4.769 1.00 0.70 C ATOM 841 C ARG A 56 6.982 -4.025 -5.542 1.00 0.61 C ATOM 842 O ARG A 56 7.393 -2.880 -5.386 1.00 0.65 O ATOM 843 CB ARG A 56 8.691 -5.952 -5.578 1.00 0.94 C ATOM 844 CG ARG A 56 8.175 -6.567 -6.890 1.00 2.90 C ATOM 845 CD ARG A 56 8.499 -5.667 -8.095 1.00 4.00 C ATOM 846 NE ARG A 56 7.541 -5.844 -9.195 1.00 6.02 N ATOM 847 CZ ARG A 56 7.320 -6.938 -9.934 1.00 7.71 C ATOM 848 NH1 ARG A 56 8.137 -7.992 -9.843 1.00 7.87 N ATOM 849 NH2 ARG A 56 6.274 -6.950 -10.760 1.00 9.59 N ATOM 0 H ARG A 56 6.784 -7.061 -4.501 1.00 0.61 H new ATOM 0 HA ARG A 56 8.165 -4.701 -3.944 1.00 0.70 H new ATOM 0 HB2 ARG A 56 9.517 -5.280 -5.809 1.00 0.94 H new ATOM 0 HB3 ARG A 56 9.093 -6.749 -4.953 1.00 0.94 H new ATOM 0 HG2 ARG A 56 8.625 -7.549 -7.035 1.00 2.90 H new ATOM 0 HG3 ARG A 56 7.097 -6.717 -6.825 1.00 2.90 H new ATOM 0 HD2 ARG A 56 8.497 -4.624 -7.778 1.00 4.00 H new ATOM 0 HD3 ARG A 56 9.505 -5.889 -8.452 1.00 4.00 H new ATOM 0 HE ARG A 56 6.972 -5.029 -9.425 1.00 6.02 H new ATOM 0 HH11 ARG A 56 8.934 -7.966 -9.208 1.00 7.87 H new ATOM 0 HH12 ARG A 56 7.963 -8.823 -10.409 1.00 7.87 H new ATOM 0 HH21 ARG A 56 5.662 -6.136 -10.819 1.00 9.59 H new ATOM 0 HH22 ARG A 56 6.086 -7.773 -11.333 1.00 9.59 H new ATOM 863 N ASP A 57 5.955 -4.309 -6.353 1.00 0.57 N ATOM 864 CA ASP A 57 5.262 -3.285 -7.125 1.00 0.58 C ATOM 865 C ASP A 57 4.687 -2.242 -6.176 1.00 0.51 C ATOM 866 O ASP A 57 4.934 -1.045 -6.314 1.00 0.56 O ATOM 867 CB ASP A 57 4.128 -3.905 -7.953 1.00 0.77 C ATOM 868 CG ASP A 57 4.628 -5.000 -8.866 1.00 1.25 C ATOM 869 OD1 ASP A 57 5.262 -4.675 -9.895 1.00 2.01 O ATOM 870 OD2 ASP A 57 4.487 -6.181 -8.493 1.00 2.20 O ATOM 0 H ASP A 57 5.587 -5.251 -6.488 1.00 0.57 H new ATOM 0 HA ASP A 57 5.973 -2.817 -7.806 1.00 0.58 H new ATOM 0 HB2 ASP A 57 3.369 -4.310 -7.283 1.00 0.77 H new ATOM 0 HB3 ASP A 57 3.647 -3.129 -8.548 1.00 0.77 H new ATOM 875 N ILE A 58 3.906 -2.712 -5.207 1.00 0.51 N ATOM 876 CA ILE A 58 3.251 -1.869 -4.222 1.00 0.53 C ATOM 877 C ILE A 58 4.292 -1.031 -3.478 1.00 0.53 C ATOM 878 O ILE A 58 4.146 0.188 -3.403 1.00 0.56 O ATOM 879 CB ILE A 58 2.392 -2.753 -3.306 1.00 0.55 C ATOM 880 CG1 ILE A 58 1.175 -3.270 -4.089 1.00 0.55 C ATOM 881 CG2 ILE A 58 1.928 -2.020 -2.041 1.00 0.69 C ATOM 882 CD1 ILE A 58 0.775 -4.645 -3.567 1.00 0.64 C ATOM 0 H ILE A 58 3.710 -3.706 -5.086 1.00 0.51 H new ATOM 0 HA ILE A 58 2.579 -1.155 -4.697 1.00 0.53 H new ATOM 0 HB ILE A 58 3.014 -3.586 -2.979 1.00 0.55 H new ATOM 0 HG12 ILE A 58 0.342 -2.575 -3.986 1.00 0.55 H new ATOM 0 HG13 ILE A 58 1.412 -3.328 -5.151 1.00 0.55 H new ATOM 0 HG21 ILE A 58 1.325 -2.693 -1.431 1.00 0.69 H new ATOM 0 HG22 ILE A 58 2.797 -1.694 -1.470 1.00 0.69 H new ATOM 0 HG23 ILE A 58 1.332 -1.152 -2.322 1.00 0.69 H new ATOM 0 HD11 ILE A 58 -0.088 -5.009 -4.124 1.00 0.64 H new ATOM 0 HD12 ILE A 58 1.607 -5.338 -3.693 1.00 0.64 H new ATOM 0 HD13 ILE A 58 0.520 -4.573 -2.510 1.00 0.64 H new ATOM 894 N ILE A 59 5.350 -1.664 -2.963 1.00 0.51 N ATOM 895 CA ILE A 59 6.445 -0.977 -2.294 1.00 0.56 C ATOM 896 C ILE A 59 6.997 0.130 -3.197 1.00 0.52 C ATOM 897 O ILE A 59 6.971 1.297 -2.809 1.00 0.51 O ATOM 898 CB ILE A 59 7.506 -2.012 -1.878 1.00 0.63 C ATOM 899 CG1 ILE A 59 6.955 -2.851 -0.709 1.00 0.78 C ATOM 900 CG2 ILE A 59 8.819 -1.334 -1.472 1.00 0.75 C ATOM 901 CD1 ILE A 59 7.683 -4.188 -0.562 1.00 1.38 C ATOM 0 H ILE A 59 5.466 -2.677 -3.002 1.00 0.51 H new ATOM 0 HA ILE A 59 6.098 -0.485 -1.385 1.00 0.56 H new ATOM 0 HB ILE A 59 7.721 -2.657 -2.730 1.00 0.63 H new ATOM 0 HG12 ILE A 59 7.049 -2.285 0.218 1.00 0.78 H new ATOM 0 HG13 ILE A 59 5.892 -3.034 -0.865 1.00 0.78 H new ATOM 0 HG21 ILE A 59 9.546 -2.093 -1.184 1.00 0.75 H new ATOM 0 HG22 ILE A 59 9.207 -0.760 -2.313 1.00 0.75 H new ATOM 0 HG23 ILE A 59 8.638 -0.666 -0.630 1.00 0.75 H new ATOM 0 HD11 ILE A 59 7.259 -4.743 0.275 1.00 1.38 H new ATOM 0 HD12 ILE A 59 7.567 -4.768 -1.478 1.00 1.38 H new ATOM 0 HD13 ILE A 59 8.742 -4.007 -0.378 1.00 1.38 H new ATOM 913 N HIS A 60 7.441 -0.227 -4.408 1.00 0.57 N ATOM 914 CA HIS A 60 7.986 0.723 -5.372 1.00 0.63 C ATOM 915 C HIS A 60 7.014 1.885 -5.585 1.00 0.58 C ATOM 916 O HIS A 60 7.414 3.050 -5.619 1.00 0.64 O ATOM 917 CB HIS A 60 8.280 0.037 -6.713 1.00 0.75 C ATOM 918 CG HIS A 60 9.330 -1.049 -6.698 1.00 1.46 C ATOM 919 ND1 HIS A 60 9.632 -1.860 -7.768 1.00 2.40 N ATOM 920 CD2 HIS A 60 10.122 -1.441 -5.648 1.00 2.48 C ATOM 921 CE1 HIS A 60 10.583 -2.722 -7.370 1.00 3.36 C ATOM 922 NE2 HIS A 60 10.906 -2.516 -6.086 1.00 3.50 N ATOM 0 H HIS A 60 7.430 -1.190 -4.744 1.00 0.57 H new ATOM 0 HA HIS A 60 8.922 1.111 -4.969 1.00 0.63 H new ATOM 0 HB2 HIS A 60 7.351 -0.392 -7.088 1.00 0.75 H new ATOM 0 HB3 HIS A 60 8.589 0.801 -7.427 1.00 0.75 H new ATOM 0 HD2 HIS A 60 10.138 -1.000 -4.662 1.00 2.48 H new ATOM 0 HE1 HIS A 60 11.027 -3.479 -8.000 1.00 3.36 H new ATOM 0 HE2 HIS A 60 11.588 -3.039 -5.536 1.00 3.50 H new ATOM 930 N THR A 61 5.724 1.569 -5.737 1.00 0.53 N ATOM 931 CA THR A 61 4.721 2.582 -6.011 1.00 0.52 C ATOM 932 C THR A 61 4.629 3.538 -4.820 1.00 0.46 C ATOM 933 O THR A 61 4.730 4.751 -4.989 1.00 0.53 O ATOM 934 CB THR A 61 3.382 1.911 -6.357 1.00 0.59 C ATOM 935 OG1 THR A 61 3.561 1.026 -7.443 1.00 0.81 O ATOM 936 CG2 THR A 61 2.336 2.940 -6.779 1.00 0.73 C ATOM 0 H THR A 61 5.358 0.619 -5.674 1.00 0.53 H new ATOM 0 HA THR A 61 5.002 3.178 -6.879 1.00 0.52 H new ATOM 0 HB THR A 61 3.042 1.385 -5.465 1.00 0.59 H new ATOM 0 HG1 THR A 61 4.040 0.227 -7.138 1.00 0.81 H new ATOM 0 HG21 THR A 61 1.401 2.432 -7.017 1.00 0.73 H new ATOM 0 HG22 THR A 61 2.169 3.644 -5.964 1.00 0.73 H new ATOM 0 HG23 THR A 61 2.690 3.479 -7.658 1.00 0.73 H new ATOM 944 N ILE A 62 4.473 2.988 -3.612 1.00 0.41 N ATOM 945 CA ILE A 62 4.411 3.753 -2.377 1.00 0.45 C ATOM 946 C ILE A 62 5.611 4.684 -2.306 1.00 0.51 C ATOM 947 O ILE A 62 5.450 5.902 -2.206 1.00 0.59 O ATOM 948 CB ILE A 62 4.352 2.787 -1.176 1.00 0.42 C ATOM 949 CG1 ILE A 62 2.896 2.347 -0.986 1.00 0.47 C ATOM 950 CG2 ILE A 62 4.846 3.421 0.135 1.00 0.53 C ATOM 951 CD1 ILE A 62 2.783 1.042 -0.199 1.00 1.39 C ATOM 0 H ILE A 62 4.385 1.982 -3.470 1.00 0.41 H new ATOM 0 HA ILE A 62 3.510 4.366 -2.350 1.00 0.45 H new ATOM 0 HB ILE A 62 5.011 1.948 -1.397 1.00 0.42 H new ATOM 0 HG12 ILE A 62 2.347 3.131 -0.465 1.00 0.47 H new ATOM 0 HG13 ILE A 62 2.426 2.222 -1.962 1.00 0.47 H new ATOM 0 HG21 ILE A 62 4.779 2.690 0.941 1.00 0.53 H new ATOM 0 HG22 ILE A 62 5.882 3.738 0.018 1.00 0.53 H new ATOM 0 HG23 ILE A 62 4.227 4.285 0.377 1.00 0.53 H new ATOM 0 HD11 ILE A 62 1.732 0.772 -0.091 1.00 1.39 H new ATOM 0 HD12 ILE A 62 3.308 0.249 -0.732 1.00 1.39 H new ATOM 0 HD13 ILE A 62 3.228 1.172 0.788 1.00 1.39 H new ATOM 963 N GLU A 63 6.814 4.114 -2.328 1.00 0.60 N ATOM 964 CA GLU A 63 7.986 4.907 -2.042 1.00 0.94 C ATOM 965 C GLU A 63 8.147 6.001 -3.098 1.00 0.88 C ATOM 966 O GLU A 63 8.258 7.180 -2.758 1.00 0.99 O ATOM 967 CB GLU A 63 9.203 4.013 -1.788 1.00 1.42 C ATOM 968 CG GLU A 63 9.666 3.202 -3.005 1.00 1.22 C ATOM 969 CD GLU A 63 10.548 2.010 -2.635 1.00 0.90 C ATOM 970 OE1 GLU A 63 10.671 1.722 -1.424 1.00 1.91 O ATOM 971 OE2 GLU A 63 11.071 1.392 -3.586 1.00 1.84 O ATOM 0 H GLU A 63 6.992 3.131 -2.536 1.00 0.60 H new ATOM 0 HA GLU A 63 7.871 5.449 -1.103 1.00 0.94 H new ATOM 0 HB2 GLU A 63 10.030 4.636 -1.447 1.00 1.42 H new ATOM 0 HB3 GLU A 63 8.968 3.324 -0.977 1.00 1.42 H new ATOM 0 HG2 GLU A 63 8.792 2.844 -3.549 1.00 1.22 H new ATOM 0 HG3 GLU A 63 10.216 3.856 -3.681 1.00 1.22 H new ATOM 978 N SER A 64 8.040 5.618 -4.376 1.00 0.85 N ATOM 979 CA SER A 64 8.088 6.550 -5.493 1.00 0.91 C ATOM 980 C SER A 64 7.059 7.675 -5.342 1.00 0.77 C ATOM 981 O SER A 64 7.350 8.811 -5.710 1.00 0.99 O ATOM 982 CB SER A 64 7.893 5.799 -6.816 1.00 1.01 C ATOM 983 OG SER A 64 8.161 6.646 -7.919 1.00 1.49 O ATOM 0 H SER A 64 7.917 4.646 -4.659 1.00 0.85 H new ATOM 0 HA SER A 64 9.072 7.018 -5.497 1.00 0.91 H new ATOM 0 HB2 SER A 64 8.553 4.932 -6.848 1.00 1.01 H new ATOM 0 HB3 SER A 64 6.872 5.424 -6.879 1.00 1.01 H new ATOM 0 HG SER A 64 8.032 6.148 -8.753 1.00 1.49 H new ATOM 989 N LEU A 65 5.843 7.378 -4.868 1.00 0.56 N ATOM 990 CA LEU A 65 4.804 8.390 -4.757 1.00 0.67 C ATOM 991 C LEU A 65 5.197 9.529 -3.815 1.00 0.92 C ATOM 992 O LEU A 65 5.104 10.697 -4.204 1.00 1.54 O ATOM 993 CB LEU A 65 3.476 7.752 -4.328 1.00 0.89 C ATOM 994 CG LEU A 65 2.732 7.105 -5.504 1.00 1.11 C ATOM 995 CD1 LEU A 65 1.681 6.154 -4.936 1.00 2.33 C ATOM 996 CD2 LEU A 65 2.034 8.142 -6.394 1.00 1.44 C ATOM 0 H LEU A 65 5.562 6.448 -4.558 1.00 0.56 H new ATOM 0 HA LEU A 65 4.676 8.832 -5.745 1.00 0.67 H new ATOM 0 HB2 LEU A 65 3.668 6.999 -3.564 1.00 0.89 H new ATOM 0 HB3 LEU A 65 2.841 8.512 -3.873 1.00 0.89 H new ATOM 0 HG LEU A 65 3.460 6.580 -6.122 1.00 1.11 H new ATOM 0 HD11 LEU A 65 1.138 5.681 -5.754 1.00 2.33 H new ATOM 0 HD12 LEU A 65 2.171 5.388 -4.335 1.00 2.33 H new ATOM 0 HD13 LEU A 65 0.983 6.713 -4.313 1.00 2.33 H new ATOM 0 HD21 LEU A 65 1.522 7.634 -7.211 1.00 1.44 H new ATOM 0 HD22 LEU A 65 1.308 8.700 -5.802 1.00 1.44 H new ATOM 0 HD23 LEU A 65 2.775 8.830 -6.802 1.00 1.44 H new ATOM 1008 N GLY A 66 5.477 9.247 -2.540 1.00 0.78 N ATOM 1009 CA GLY A 66 5.963 10.294 -1.643 1.00 1.12 C ATOM 1010 C GLY A 66 6.640 9.801 -0.365 1.00 0.87 C ATOM 1011 O GLY A 66 6.693 10.561 0.599 1.00 1.15 O ATOM 0 H GLY A 66 5.378 8.325 -2.115 1.00 0.78 H new ATOM 0 HA2 GLY A 66 6.669 10.918 -2.190 1.00 1.12 H new ATOM 0 HA3 GLY A 66 5.123 10.931 -1.366 1.00 1.12 H new ATOM 1015 N PHE A 67 7.034 8.528 -0.291 1.00 0.63 N ATOM 1016 CA PHE A 67 6.921 7.781 0.962 1.00 0.52 C ATOM 1017 C PHE A 67 8.105 6.835 1.157 1.00 0.79 C ATOM 1018 O PHE A 67 9.009 6.786 0.327 1.00 1.32 O ATOM 1019 CB PHE A 67 5.573 7.037 0.986 1.00 0.49 C ATOM 1020 CG PHE A 67 4.362 7.929 0.757 1.00 0.50 C ATOM 1021 CD1 PHE A 67 4.175 9.058 1.572 1.00 1.97 C ATOM 1022 CD2 PHE A 67 3.516 7.728 -0.351 1.00 2.10 C ATOM 1023 CE1 PHE A 67 3.232 10.037 1.222 1.00 1.96 C ATOM 1024 CE2 PHE A 67 2.556 8.697 -0.691 1.00 2.15 C ATOM 1025 CZ PHE A 67 2.417 9.853 0.094 1.00 0.66 C ATOM 0 H PHE A 67 7.428 8.000 -1.070 1.00 0.63 H new ATOM 0 HA PHE A 67 6.948 8.477 1.801 1.00 0.52 H new ATOM 0 HB2 PHE A 67 5.587 6.260 0.222 1.00 0.49 H new ATOM 0 HB3 PHE A 67 5.464 6.537 1.948 1.00 0.49 H new ATOM 0 HD1 PHE A 67 4.760 9.173 2.473 1.00 1.97 H new ATOM 0 HD2 PHE A 67 3.605 6.828 -0.941 1.00 2.10 H new ATOM 0 HE1 PHE A 67 3.134 10.931 1.820 1.00 1.96 H new ATOM 0 HE2 PHE A 67 1.925 8.552 -1.556 1.00 2.15 H new ATOM 0 HZ PHE A 67 1.683 10.600 -0.170 1.00 0.66 H new ATOM 1035 N GLU A 68 8.101 6.098 2.269 1.00 0.61 N ATOM 1036 CA GLU A 68 8.946 4.923 2.458 1.00 0.78 C ATOM 1037 C GLU A 68 8.004 3.799 2.889 1.00 0.76 C ATOM 1038 O GLU A 68 6.963 4.095 3.471 1.00 0.86 O ATOM 1039 CB GLU A 68 9.989 5.161 3.559 1.00 1.00 C ATOM 1040 CG GLU A 68 10.706 6.520 3.510 1.00 2.23 C ATOM 1041 CD GLU A 68 11.427 6.772 4.826 1.00 2.64 C ATOM 1042 OE1 GLU A 68 12.254 5.912 5.199 1.00 2.88 O ATOM 1043 OE2 GLU A 68 11.060 7.749 5.510 1.00 3.67 O ATOM 0 H GLU A 68 7.504 6.304 3.070 1.00 0.61 H new ATOM 0 HA GLU A 68 9.489 4.687 1.543 1.00 0.78 H new ATOM 0 HB2 GLU A 68 9.498 5.064 4.527 1.00 1.00 H new ATOM 0 HB3 GLU A 68 10.739 4.372 3.501 1.00 1.00 H new ATOM 0 HG2 GLU A 68 11.419 6.535 2.686 1.00 2.23 H new ATOM 0 HG3 GLU A 68 9.985 7.315 3.322 1.00 2.23 H new ATOM 1050 N ALA A 69 8.353 2.534 2.646 1.00 0.78 N ATOM 1051 CA ALA A 69 7.580 1.385 3.110 1.00 0.79 C ATOM 1052 C ALA A 69 8.377 0.583 4.141 1.00 0.86 C ATOM 1053 O ALA A 69 9.606 0.639 4.168 1.00 1.16 O ATOM 1054 CB ALA A 69 7.211 0.508 1.913 1.00 1.15 C ATOM 0 H ALA A 69 9.187 2.278 2.117 1.00 0.78 H new ATOM 0 HA ALA A 69 6.667 1.736 3.592 1.00 0.79 H new ATOM 0 HB1 ALA A 69 6.634 -0.351 2.255 1.00 1.15 H new ATOM 0 HB2 ALA A 69 6.616 1.087 1.207 1.00 1.15 H new ATOM 0 HB3 ALA A 69 8.120 0.162 1.422 1.00 1.15 H new ATOM 1060 N SER A 70 7.689 -0.145 5.024 1.00 0.85 N ATOM 1061 CA SER A 70 8.279 -1.005 6.042 1.00 1.20 C ATOM 1062 C SER A 70 7.279 -2.100 6.427 1.00 1.17 C ATOM 1063 O SER A 70 6.339 -1.840 7.172 1.00 1.26 O ATOM 1064 CB SER A 70 8.656 -0.167 7.272 1.00 1.51 C ATOM 1065 OG SER A 70 9.678 0.762 6.945 1.00 2.39 O ATOM 0 H SER A 70 6.669 -0.149 5.047 1.00 0.85 H new ATOM 0 HA SER A 70 9.181 -1.473 5.649 1.00 1.20 H new ATOM 0 HB2 SER A 70 7.778 0.364 7.641 1.00 1.51 H new ATOM 0 HB3 SER A 70 8.994 -0.821 8.076 1.00 1.51 H new ATOM 0 HG SER A 70 9.866 0.716 5.984 1.00 2.39 H new ATOM 1071 N LEU A 71 7.483 -3.326 5.940 1.00 1.20 N ATOM 1072 CA LEU A 71 6.748 -4.504 6.401 1.00 1.26 C ATOM 1073 C LEU A 71 6.842 -4.599 7.925 1.00 1.40 C ATOM 1074 O LEU A 71 7.921 -4.416 8.485 1.00 2.12 O ATOM 1075 CB LEU A 71 7.367 -5.759 5.765 1.00 1.62 C ATOM 1076 CG LEU A 71 7.205 -5.811 4.236 1.00 1.64 C ATOM 1077 CD1 LEU A 71 8.321 -6.659 3.617 1.00 2.35 C ATOM 1078 CD2 LEU A 71 5.853 -6.418 3.848 1.00 2.43 C ATOM 0 H LEU A 71 8.167 -3.530 5.211 1.00 1.20 H new ATOM 0 HA LEU A 71 5.700 -4.424 6.111 1.00 1.26 H new ATOM 0 HB2 LEU A 71 8.428 -5.797 6.012 1.00 1.62 H new ATOM 0 HB3 LEU A 71 6.906 -6.644 6.202 1.00 1.62 H new ATOM 0 HG LEU A 71 7.260 -4.789 3.860 1.00 1.64 H new ATOM 0 HD11 LEU A 71 8.197 -6.689 2.534 1.00 2.35 H new ATOM 0 HD12 LEU A 71 9.289 -6.220 3.859 1.00 2.35 H new ATOM 0 HD13 LEU A 71 8.272 -7.672 4.016 1.00 2.35 H new ATOM 0 HD21 LEU A 71 5.764 -6.443 2.762 1.00 2.43 H new ATOM 0 HD22 LEU A 71 5.783 -7.432 4.242 1.00 2.43 H new ATOM 0 HD23 LEU A 71 5.049 -5.811 4.264 1.00 2.43 H new