USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=22 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 34 TYR OH : rot -155:sc= 1.1 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0.926 USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= -0.782 USER MOD Set 2.2: A 18 CYS SG : rot 90:sc= -0.107 USER MOD Single : A 13 MET CE :methyl 179:sc= -0.167 (180deg=-0.167) USER MOD Single : A 14 THR OG1 : rot -23:sc= 0.379 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.0301 F(o=-0.76,f=-0.03) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 84:sc= 1.21 USER MOD Single : A 27 THR OG1 : rot -79:sc= 0.947 USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0.706 (180deg=0.134) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.121 F(o=-0.84,f=-0.12) USER MOD Single : A 35 CYS SG : rot 90:sc= -0.475 USER MOD Single : A 41 THR OG1 : rot -130:sc= 0.103 USER MOD Single : A 42 ASN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= 1.04 (180deg=0.926) USER MOD Single : A 45 HIS : no HE2:sc= 0.642 K(o=0.64,f=-3.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 30:sc= -0.0685 USER MOD Single : A 60 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.6!) USER MOD Single : A 61 THR OG1 : rot 71:sc= 1.16 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 14:sc= 0.636 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -4.708 -13.180 -1.686 1.00 1.31 N ATOM 40 CA GLY A 4 -4.366 -11.794 -1.918 1.00 1.85 C ATOM 41 C GLY A 4 -4.553 -10.918 -0.688 1.00 1.57 C ATOM 42 O GLY A 4 -5.598 -10.282 -0.542 1.00 2.19 O ATOM 0 HA2 GLY A 4 -3.328 -11.732 -2.246 1.00 1.85 H new ATOM 0 HA3 GLY A 4 -4.981 -11.406 -2.730 1.00 1.85 H new ATOM 46 N VAL A 5 -3.537 -10.837 0.173 1.00 1.26 N ATOM 47 CA VAL A 5 -3.496 -9.886 1.275 1.00 1.07 C ATOM 48 C VAL A 5 -2.060 -9.426 1.521 1.00 1.17 C ATOM 49 O VAL A 5 -1.141 -10.242 1.501 1.00 1.80 O ATOM 50 CB VAL A 5 -4.166 -10.484 2.528 1.00 1.18 C ATOM 51 CG1 VAL A 5 -3.471 -11.757 3.031 1.00 2.23 C ATOM 52 CG2 VAL A 5 -4.245 -9.452 3.659 1.00 1.75 C ATOM 0 H VAL A 5 -2.714 -11.437 0.121 1.00 1.26 H new ATOM 0 HA VAL A 5 -4.070 -8.997 1.014 1.00 1.07 H new ATOM 0 HB VAL A 5 -5.174 -10.764 2.223 1.00 1.18 H new ATOM 0 HG11 VAL A 5 -3.989 -12.130 3.915 1.00 2.23 H new ATOM 0 HG12 VAL A 5 -3.494 -12.517 2.250 1.00 2.23 H new ATOM 0 HG13 VAL A 5 -2.436 -11.530 3.286 1.00 2.23 H new ATOM 0 HG21 VAL A 5 -4.722 -9.902 4.530 1.00 1.75 H new ATOM 0 HG22 VAL A 5 -3.240 -9.125 3.925 1.00 1.75 H new ATOM 0 HG23 VAL A 5 -4.830 -8.594 3.328 1.00 1.75 H new ATOM 62 N LEU A 6 -1.866 -8.125 1.765 1.00 0.84 N ATOM 63 CA LEU A 6 -0.612 -7.593 2.271 1.00 0.91 C ATOM 64 C LEU A 6 -0.915 -6.383 3.136 1.00 0.82 C ATOM 65 O LEU A 6 -1.462 -5.403 2.643 1.00 0.98 O ATOM 66 CB LEU A 6 0.340 -7.217 1.131 1.00 1.00 C ATOM 67 CG LEU A 6 1.777 -6.993 1.635 1.00 1.18 C ATOM 68 CD1 LEU A 6 2.508 -8.332 1.797 1.00 2.08 C ATOM 69 CD2 LEU A 6 2.564 -6.108 0.664 1.00 2.15 C ATOM 0 H LEU A 6 -2.582 -7.415 1.614 1.00 0.84 H new ATOM 0 HA LEU A 6 -0.112 -8.360 2.863 1.00 0.91 H new ATOM 0 HB2 LEU A 6 0.337 -8.007 0.380 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -0.019 -6.311 0.642 1.00 1.00 H new ATOM 0 HG LEU A 6 1.713 -6.495 2.602 1.00 1.18 H new ATOM 0 HD11 LEU A 6 3.522 -8.152 2.154 1.00 2.08 H new ATOM 0 HD12 LEU A 6 1.975 -8.953 2.517 1.00 2.08 H new ATOM 0 HD13 LEU A 6 2.547 -8.844 0.835 1.00 2.08 H new ATOM 0 HD21 LEU A 6 3.576 -5.964 1.042 1.00 2.15 H new ATOM 0 HD22 LEU A 6 2.606 -6.588 -0.313 1.00 2.15 H new ATOM 0 HD23 LEU A 6 2.070 -5.141 0.572 1.00 2.15 H new ATOM 81 N GLU A 7 -0.547 -6.435 4.416 1.00 0.78 N ATOM 82 CA GLU A 7 -0.549 -5.264 5.267 1.00 0.72 C ATOM 83 C GLU A 7 0.907 -4.893 5.515 1.00 0.74 C ATOM 84 O GLU A 7 1.681 -5.724 5.995 1.00 1.11 O ATOM 85 CB GLU A 7 -1.341 -5.544 6.545 1.00 0.91 C ATOM 86 CG GLU A 7 -1.810 -4.230 7.180 1.00 1.44 C ATOM 87 CD GLU A 7 -2.729 -4.478 8.359 1.00 2.01 C ATOM 88 OE1 GLU A 7 -2.360 -5.324 9.200 1.00 2.68 O ATOM 89 OE2 GLU A 7 -3.806 -3.837 8.369 1.00 2.94 O ATOM 0 H GLU A 7 -0.242 -7.289 4.882 1.00 0.78 H new ATOM 0 HA GLU A 7 -1.048 -4.414 4.801 1.00 0.72 H new ATOM 0 HB2 GLU A 7 -2.202 -6.173 6.317 1.00 0.91 H new ATOM 0 HB3 GLU A 7 -0.721 -6.096 7.251 1.00 0.91 H new ATOM 0 HG2 GLU A 7 -0.944 -3.654 7.507 1.00 1.44 H new ATOM 0 HG3 GLU A 7 -2.329 -3.629 6.433 1.00 1.44 H new ATOM 96 N LEU A 8 1.288 -3.671 5.144 1.00 0.59 N ATOM 97 CA LEU A 8 2.628 -3.152 5.369 1.00 0.67 C ATOM 98 C LEU A 8 2.515 -1.770 6.000 1.00 0.63 C ATOM 99 O LEU A 8 1.568 -1.040 5.706 1.00 0.78 O ATOM 100 CB LEU A 8 3.496 -3.242 4.095 1.00 1.00 C ATOM 101 CG LEU A 8 3.193 -2.337 2.885 1.00 0.80 C ATOM 102 CD1 LEU A 8 4.183 -2.671 1.763 1.00 2.31 C ATOM 103 CD2 LEU A 8 1.772 -2.493 2.347 1.00 2.34 C ATOM 0 H LEU A 8 0.667 -3.011 4.675 1.00 0.59 H new ATOM 0 HA LEU A 8 3.174 -3.771 6.081 1.00 0.67 H new ATOM 0 HB2 LEU A 8 4.527 -3.050 4.392 1.00 1.00 H new ATOM 0 HB3 LEU A 8 3.452 -4.274 3.746 1.00 1.00 H new ATOM 0 HG LEU A 8 3.293 -1.306 3.225 1.00 0.80 H new ATOM 0 HD11 LEU A 8 3.981 -2.038 0.899 1.00 2.31 H new ATOM 0 HD12 LEU A 8 5.201 -2.495 2.111 1.00 2.31 H new ATOM 0 HD13 LEU A 8 4.072 -3.718 1.480 1.00 2.31 H new ATOM 0 HD21 LEU A 8 1.630 -1.826 1.497 1.00 2.34 H new ATOM 0 HD22 LEU A 8 1.614 -3.524 2.030 1.00 2.34 H new ATOM 0 HD23 LEU A 8 1.057 -2.240 3.130 1.00 2.34 H new ATOM 115 N VAL A 9 3.459 -1.421 6.879 1.00 0.58 N ATOM 116 CA VAL A 9 3.562 -0.096 7.449 1.00 0.57 C ATOM 117 C VAL A 9 4.165 0.754 6.338 1.00 0.59 C ATOM 118 O VAL A 9 5.083 0.311 5.647 1.00 0.75 O ATOM 119 CB VAL A 9 4.418 -0.113 8.735 1.00 0.62 C ATOM 120 CG1 VAL A 9 5.295 1.134 8.899 1.00 0.67 C ATOM 121 CG2 VAL A 9 3.517 -0.205 9.972 1.00 0.69 C ATOM 0 H VAL A 9 4.176 -2.066 7.211 1.00 0.58 H new ATOM 0 HA VAL A 9 2.601 0.308 7.767 1.00 0.57 H new ATOM 0 HB VAL A 9 5.067 -0.984 8.642 1.00 0.62 H new ATOM 0 HG11 VAL A 9 5.869 1.056 9.822 1.00 0.67 H new ATOM 0 HG12 VAL A 9 5.977 1.213 8.053 1.00 0.67 H new ATOM 0 HG13 VAL A 9 4.663 2.021 8.939 1.00 0.67 H new ATOM 0 HG21 VAL A 9 4.133 -0.216 10.871 1.00 0.69 H new ATOM 0 HG22 VAL A 9 2.849 0.656 10.001 1.00 0.69 H new ATOM 0 HG23 VAL A 9 2.927 -1.120 9.925 1.00 0.69 H new ATOM 131 N VAL A 10 3.608 1.945 6.135 1.00 0.56 N ATOM 132 CA VAL A 10 3.993 2.893 5.124 1.00 0.61 C ATOM 133 C VAL A 10 4.281 4.184 5.880 1.00 0.61 C ATOM 134 O VAL A 10 3.375 4.722 6.511 1.00 0.82 O ATOM 135 CB VAL A 10 2.838 3.038 4.125 1.00 0.66 C ATOM 136 CG1 VAL A 10 3.233 4.069 3.074 1.00 1.88 C ATOM 137 CG2 VAL A 10 2.524 1.705 3.438 1.00 1.98 C ATOM 0 H VAL A 10 2.835 2.281 6.709 1.00 0.56 H new ATOM 0 HA VAL A 10 4.869 2.595 4.547 1.00 0.61 H new ATOM 0 HB VAL A 10 1.945 3.357 4.663 1.00 0.66 H new ATOM 0 HG11 VAL A 10 2.422 4.185 2.355 1.00 1.88 H new ATOM 0 HG12 VAL A 10 3.428 5.026 3.558 1.00 1.88 H new ATOM 0 HG13 VAL A 10 4.132 3.735 2.556 1.00 1.88 H new ATOM 0 HG21 VAL A 10 1.701 1.842 2.737 1.00 1.98 H new ATOM 0 HG22 VAL A 10 3.405 1.357 2.900 1.00 1.98 H new ATOM 0 HG23 VAL A 10 2.242 0.967 4.188 1.00 1.98 H new ATOM 147 N ARG A 11 5.529 4.660 5.861 1.00 0.67 N ATOM 148 CA ARG A 11 5.924 5.866 6.576 1.00 0.70 C ATOM 149 C ARG A 11 6.189 6.999 5.588 1.00 0.66 C ATOM 150 O ARG A 11 6.503 6.762 4.420 1.00 1.01 O ATOM 151 CB ARG A 11 7.089 5.599 7.544 1.00 0.82 C ATOM 152 CG ARG A 11 8.382 5.129 6.868 1.00 2.13 C ATOM 153 CD ARG A 11 9.499 4.897 7.898 1.00 2.48 C ATOM 154 NE ARG A 11 9.900 6.156 8.557 1.00 3.44 N ATOM 155 CZ ARG A 11 10.835 7.016 8.111 1.00 4.77 C ATOM 156 NH1 ARG A 11 11.690 6.660 7.157 1.00 5.26 N ATOM 157 NH2 ARG A 11 10.914 8.248 8.623 1.00 6.15 N ATOM 0 H ARG A 11 6.291 4.216 5.348 1.00 0.67 H new ATOM 0 HA ARG A 11 5.100 6.190 7.211 1.00 0.70 H new ATOM 0 HB2 ARG A 11 7.297 6.512 8.103 1.00 0.82 H new ATOM 0 HB3 ARG A 11 6.778 4.846 8.268 1.00 0.82 H new ATOM 0 HG2 ARG A 11 8.193 4.206 6.319 1.00 2.13 H new ATOM 0 HG3 ARG A 11 8.705 5.873 6.140 1.00 2.13 H new ATOM 0 HD2 ARG A 11 9.160 4.184 8.650 1.00 2.48 H new ATOM 0 HD3 ARG A 11 10.363 4.452 7.405 1.00 2.48 H new ATOM 0 HE ARG A 11 9.426 6.396 9.428 1.00 3.44 H new ATOM 0 HH11 ARG A 11 11.643 5.725 6.753 1.00 5.26 H new ATOM 0 HH12 ARG A 11 12.393 7.322 6.829 1.00 5.26 H new ATOM 0 HH21 ARG A 11 10.265 8.539 9.354 1.00 6.15 H new ATOM 0 HH22 ARG A 11 11.624 8.897 8.283 1.00 6.15 H new ATOM 171 N GLY A 12 6.010 8.232 6.074 1.00 0.70 N ATOM 172 CA GLY A 12 6.035 9.448 5.275 1.00 0.73 C ATOM 173 C GLY A 12 4.624 9.964 4.971 1.00 0.72 C ATOM 174 O GLY A 12 4.486 11.046 4.404 1.00 1.05 O ATOM 0 H GLY A 12 5.839 8.410 7.064 1.00 0.70 H new ATOM 0 HA2 GLY A 12 6.597 10.218 5.804 1.00 0.73 H new ATOM 0 HA3 GLY A 12 6.560 9.256 4.339 1.00 0.73 H new ATOM 178 N MET A 13 3.575 9.220 5.350 1.00 0.91 N ATOM 179 CA MET A 13 2.186 9.588 5.090 1.00 0.96 C ATOM 180 C MET A 13 1.746 10.726 6.015 1.00 0.83 C ATOM 181 O MET A 13 0.919 10.536 6.903 1.00 1.14 O ATOM 182 CB MET A 13 1.273 8.368 5.265 1.00 1.31 C ATOM 183 CG MET A 13 1.726 7.175 4.425 1.00 1.22 C ATOM 184 SD MET A 13 0.454 5.917 4.152 1.00 1.65 S ATOM 185 CE MET A 13 0.030 5.475 5.842 1.00 1.41 C ATOM 0 H MET A 13 3.674 8.337 5.851 1.00 0.91 H new ATOM 0 HA MET A 13 2.107 9.937 4.061 1.00 0.96 H new ATOM 0 HB2 MET A 13 1.252 8.081 6.316 1.00 1.31 H new ATOM 0 HB3 MET A 13 0.254 8.638 4.988 1.00 1.31 H new ATOM 0 HG2 MET A 13 2.071 7.539 3.457 1.00 1.22 H new ATOM 0 HG3 MET A 13 2.581 6.708 4.913 1.00 1.22 H new ATOM 0 HE1 MET A 13 -0.756 4.720 5.834 1.00 1.41 H new ATOM 0 HE2 MET A 13 0.911 5.076 6.346 1.00 1.41 H new ATOM 0 HE3 MET A 13 -0.322 6.360 6.372 1.00 1.41 H new ATOM 195 N THR A 14 2.326 11.909 5.834 1.00 0.74 N ATOM 196 CA THR A 14 2.240 12.963 6.833 1.00 0.80 C ATOM 197 C THR A 14 0.839 13.565 6.995 1.00 0.80 C ATOM 198 O THR A 14 0.632 14.276 7.980 1.00 1.04 O ATOM 199 CB THR A 14 3.305 14.042 6.578 1.00 0.93 C ATOM 200 OG1 THR A 14 3.350 14.938 7.672 1.00 1.62 O ATOM 201 CG2 THR A 14 3.064 14.833 5.288 1.00 0.90 C ATOM 0 H THR A 14 2.861 12.159 5.002 1.00 0.74 H new ATOM 0 HA THR A 14 2.448 12.488 7.792 1.00 0.80 H new ATOM 0 HB THR A 14 4.256 13.522 6.465 1.00 0.93 H new ATOM 0 HG1 THR A 14 2.496 14.912 8.152 1.00 1.62 H new ATOM 0 HG21 THR A 14 3.850 15.578 5.166 1.00 0.90 H new ATOM 0 HG22 THR A 14 3.074 14.152 4.437 1.00 0.90 H new ATOM 0 HG23 THR A 14 2.096 15.332 5.342 1.00 0.90 H new ATOM 209 N CYS A 15 -0.101 13.349 6.065 1.00 0.68 N ATOM 210 CA CYS A 15 -1.447 13.891 6.181 1.00 0.69 C ATOM 211 C CYS A 15 -2.415 13.116 5.288 1.00 0.66 C ATOM 212 O CYS A 15 -2.008 12.282 4.476 1.00 0.65 O ATOM 213 CB CYS A 15 -1.441 15.387 5.836 1.00 0.72 C ATOM 214 SG CYS A 15 -1.110 15.753 4.097 1.00 0.70 S ATOM 0 H CYS A 15 0.055 12.798 5.221 1.00 0.68 H new ATOM 0 HA CYS A 15 -1.789 13.781 7.210 1.00 0.69 H new ATOM 0 HB2 CYS A 15 -2.407 15.813 6.107 1.00 0.72 H new ATOM 0 HB3 CYS A 15 -0.690 15.885 6.449 1.00 0.72 H new ATOM 0 HG CYS A 15 -1.130 17.040 3.913 1.00 0.70 H new ATOM 219 N ALA A 16 -3.707 13.427 5.417 1.00 0.69 N ATOM 220 CA ALA A 16 -4.766 12.856 4.594 1.00 0.70 C ATOM 221 C ALA A 16 -4.432 12.963 3.104 1.00 0.64 C ATOM 222 O ALA A 16 -4.730 12.047 2.336 1.00 0.61 O ATOM 223 CB ALA A 16 -6.090 13.561 4.899 1.00 0.81 C ATOM 0 H ALA A 16 -4.048 14.094 6.109 1.00 0.69 H new ATOM 0 HA ALA A 16 -4.858 11.797 4.835 1.00 0.70 H new ATOM 0 HB1 ALA A 16 -6.881 13.133 4.283 1.00 0.81 H new ATOM 0 HB2 ALA A 16 -6.339 13.428 5.952 1.00 0.81 H new ATOM 0 HB3 ALA A 16 -5.995 14.624 4.680 1.00 0.81 H new ATOM 229 N SER A 17 -3.803 14.076 2.704 1.00 0.68 N ATOM 230 CA SER A 17 -3.398 14.307 1.326 1.00 0.68 C ATOM 231 C SER A 17 -2.403 13.247 0.848 1.00 0.66 C ATOM 232 O SER A 17 -2.347 12.984 -0.350 1.00 0.81 O ATOM 233 CB SER A 17 -2.817 15.713 1.126 1.00 0.71 C ATOM 234 OG SER A 17 -2.841 16.039 -0.252 1.00 1.87 O ATOM 0 H SER A 17 -3.563 14.840 3.336 1.00 0.68 H new ATOM 0 HA SER A 17 -4.300 14.229 0.719 1.00 0.68 H new ATOM 0 HB2 SER A 17 -3.395 16.442 1.694 1.00 0.71 H new ATOM 0 HB3 SER A 17 -1.795 15.753 1.503 1.00 0.71 H new ATOM 0 HG SER A 17 -2.472 16.937 -0.382 1.00 1.87 H new ATOM 240 N CYS A 18 -1.593 12.672 1.742 1.00 0.61 N ATOM 241 CA CYS A 18 -0.811 11.492 1.415 1.00 0.56 C ATOM 242 C CYS A 18 -1.734 10.284 1.300 1.00 0.47 C ATOM 243 O CYS A 18 -1.762 9.616 0.271 1.00 0.46 O ATOM 244 CB CYS A 18 0.287 11.270 2.455 1.00 0.65 C ATOM 245 SG CYS A 18 1.440 12.657 2.618 1.00 0.85 S ATOM 0 H CYS A 18 -1.467 13.010 2.696 1.00 0.61 H new ATOM 0 HA CYS A 18 -0.318 11.637 0.454 1.00 0.56 H new ATOM 0 HB2 CYS A 18 -0.177 11.081 3.423 1.00 0.65 H new ATOM 0 HB3 CYS A 18 0.848 10.374 2.190 1.00 0.65 H new ATOM 0 HG CYS A 18 0.999 13.485 3.518 1.00 0.85 H new ATOM 250 N VAL A 19 -2.479 10.002 2.369 1.00 0.52 N ATOM 251 CA VAL A 19 -3.292 8.796 2.488 1.00 0.56 C ATOM 252 C VAL A 19 -4.168 8.584 1.244 1.00 0.49 C ATOM 253 O VAL A 19 -4.042 7.572 0.552 1.00 0.44 O ATOM 254 CB VAL A 19 -4.111 8.854 3.791 1.00 0.75 C ATOM 255 CG1 VAL A 19 -5.047 7.651 3.935 1.00 0.89 C ATOM 256 CG2 VAL A 19 -3.177 8.863 5.011 1.00 0.88 C ATOM 0 H VAL A 19 -2.534 10.612 3.184 1.00 0.52 H new ATOM 0 HA VAL A 19 -2.639 7.925 2.542 1.00 0.56 H new ATOM 0 HB VAL A 19 -4.702 9.769 3.744 1.00 0.75 H new ATOM 0 HG11 VAL A 19 -5.605 7.734 4.868 1.00 0.89 H new ATOM 0 HG12 VAL A 19 -5.743 7.629 3.097 1.00 0.89 H new ATOM 0 HG13 VAL A 19 -4.460 6.732 3.943 1.00 0.89 H new ATOM 0 HG21 VAL A 19 -3.771 8.904 5.924 1.00 0.88 H new ATOM 0 HG22 VAL A 19 -2.572 7.956 5.013 1.00 0.88 H new ATOM 0 HG23 VAL A 19 -2.524 9.735 4.963 1.00 0.88 H new ATOM 266 N HIS A 20 -5.056 9.534 0.940 1.00 0.55 N ATOM 267 CA HIS A 20 -5.989 9.360 -0.167 1.00 0.60 C ATOM 268 C HIS A 20 -5.263 9.337 -1.518 1.00 0.54 C ATOM 269 O HIS A 20 -5.723 8.687 -2.454 1.00 0.57 O ATOM 270 CB HIS A 20 -7.135 10.384 -0.105 1.00 0.76 C ATOM 271 CG HIS A 20 -6.885 11.711 -0.779 1.00 0.73 C ATOM 272 ND1 HIS A 20 -5.745 12.465 -0.716 1.00 0.82 N flip ATOM 273 CD2 HIS A 20 -7.771 12.375 -1.598 1.00 0.76 C flip ATOM 274 CE1 HIS A 20 -5.930 13.597 -1.512 1.00 0.81 C flip ATOM 275 NE2 HIS A 20 -7.169 13.500 -2.019 1.00 0.84 N flip ATOM 0 H HIS A 20 -5.146 10.419 1.439 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.457 8.381 -0.064 1.00 0.60 H new ATOM 0 HB2 HIS A 20 -8.020 9.934 -0.554 1.00 0.76 H new ATOM 0 HB3 HIS A 20 -7.370 10.572 0.943 1.00 0.76 H new ATOM 0 HD2 HIS A 20 -8.768 12.050 -1.855 1.00 0.76 H new ATOM 0 HE1 HIS A 20 -5.219 14.391 -1.685 1.00 0.81 H new ATOM 0 HE2 HIS A 20 -7.596 14.187 -2.640 1.00 0.84 H new ATOM 283 N LYS A 21 -4.122 10.027 -1.625 1.00 0.51 N ATOM 284 CA LYS A 21 -3.311 10.018 -2.829 1.00 0.52 C ATOM 285 C LYS A 21 -2.770 8.607 -3.034 1.00 0.46 C ATOM 286 O LYS A 21 -2.882 8.073 -4.134 1.00 0.53 O ATOM 287 CB LYS A 21 -2.198 11.069 -2.727 1.00 0.55 C ATOM 288 CG LYS A 21 -1.212 11.051 -3.903 1.00 0.57 C ATOM 289 CD LYS A 21 -0.212 12.218 -3.828 1.00 0.99 C ATOM 290 CE LYS A 21 0.556 12.235 -2.494 1.00 2.33 C ATOM 291 NZ LYS A 21 1.663 13.213 -2.480 1.00 3.01 N ATOM 0 H LYS A 21 -3.742 10.605 -0.875 1.00 0.51 H new ATOM 0 HA LYS A 21 -3.908 10.286 -3.701 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -2.651 12.058 -2.662 1.00 0.55 H new ATOM 0 HB3 LYS A 21 -1.646 10.910 -1.801 1.00 0.55 H new ATOM 0 HG2 LYS A 21 -0.668 10.106 -3.907 1.00 0.57 H new ATOM 0 HG3 LYS A 21 -1.764 11.105 -4.841 1.00 0.57 H new ATOM 0 HD2 LYS A 21 0.496 12.142 -4.653 1.00 0.99 H new ATOM 0 HD3 LYS A 21 -0.745 13.161 -3.951 1.00 0.99 H new ATOM 0 HE2 LYS A 21 -0.137 12.466 -1.685 1.00 2.33 H new ATOM 0 HE3 LYS A 21 0.955 11.240 -2.297 1.00 2.33 H new ATOM 0 HZ1 LYS A 21 2.144 13.180 -1.558 1.00 3.01 H new ATOM 0 HZ2 LYS A 21 2.342 12.980 -3.233 1.00 3.01 H new ATOM 0 HZ3 LYS A 21 1.284 14.168 -2.639 1.00 3.01 H new ATOM 305 N ILE A 22 -2.205 7.996 -1.989 1.00 0.39 N ATOM 306 CA ILE A 22 -1.758 6.610 -2.043 1.00 0.38 C ATOM 307 C ILE A 22 -2.930 5.736 -2.471 1.00 0.41 C ATOM 308 O ILE A 22 -2.821 5.029 -3.469 1.00 0.45 O ATOM 309 CB ILE A 22 -1.157 6.159 -0.697 1.00 0.41 C ATOM 310 CG1 ILE A 22 0.124 6.956 -0.423 1.00 0.43 C ATOM 311 CG2 ILE A 22 -0.833 4.656 -0.700 1.00 0.50 C ATOM 312 CD1 ILE A 22 0.558 6.863 1.037 1.00 0.65 C ATOM 0 H ILE A 22 -2.047 8.449 -1.089 1.00 0.39 H new ATOM 0 HA ILE A 22 -0.958 6.511 -2.777 1.00 0.38 H new ATOM 0 HB ILE A 22 -1.894 6.344 0.085 1.00 0.41 H new ATOM 0 HG12 ILE A 22 0.925 6.585 -1.063 1.00 0.43 H new ATOM 0 HG13 ILE A 22 -0.037 8.001 -0.687 1.00 0.43 H new ATOM 0 HG21 ILE A 22 -0.411 4.373 0.264 1.00 0.50 H new ATOM 0 HG22 ILE A 22 -1.746 4.087 -0.878 1.00 0.50 H new ATOM 0 HG23 ILE A 22 -0.112 4.441 -1.489 1.00 0.50 H new ATOM 0 HD11 ILE A 22 1.469 7.443 1.183 1.00 0.65 H new ATOM 0 HD12 ILE A 22 -0.231 7.259 1.677 1.00 0.65 H new ATOM 0 HD13 ILE A 22 0.746 5.821 1.295 1.00 0.65 H new ATOM 324 N GLU A 23 -4.050 5.803 -1.747 1.00 0.46 N ATOM 325 CA GLU A 23 -5.200 4.944 -2.003 1.00 0.53 C ATOM 326 C GLU A 23 -5.659 5.065 -3.464 1.00 0.50 C ATOM 327 O GLU A 23 -5.797 4.070 -4.179 1.00 0.61 O ATOM 328 CB GLU A 23 -6.313 5.261 -0.987 1.00 0.64 C ATOM 329 CG GLU A 23 -7.143 4.018 -0.648 1.00 1.25 C ATOM 330 CD GLU A 23 -7.912 4.165 0.660 1.00 2.15 C ATOM 331 OE1 GLU A 23 -9.023 4.732 0.601 1.00 2.74 O ATOM 332 OE2 GLU A 23 -7.369 3.710 1.693 1.00 3.49 O ATOM 0 H GLU A 23 -4.181 6.452 -0.971 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.922 3.899 -1.865 1.00 0.53 H new ATOM 0 HB2 GLU A 23 -5.870 5.662 -0.076 1.00 0.64 H new ATOM 0 HB3 GLU A 23 -6.965 6.035 -1.392 1.00 0.64 H new ATOM 0 HG2 GLU A 23 -7.846 3.823 -1.458 1.00 1.25 H new ATOM 0 HG3 GLU A 23 -6.484 3.152 -0.582 1.00 1.25 H new ATOM 339 N SER A 24 -5.838 6.302 -3.933 1.00 0.44 N ATOM 340 CA SER A 24 -6.166 6.605 -5.318 1.00 0.49 C ATOM 341 C SER A 24 -5.113 6.015 -6.266 1.00 0.51 C ATOM 342 O SER A 24 -5.443 5.342 -7.243 1.00 0.64 O ATOM 343 CB SER A 24 -6.288 8.127 -5.483 1.00 0.58 C ATOM 344 OG SER A 24 -6.699 8.462 -6.794 1.00 0.85 O ATOM 0 H SER A 24 -5.756 7.132 -3.346 1.00 0.44 H new ATOM 0 HA SER A 24 -7.121 6.148 -5.578 1.00 0.49 H new ATOM 0 HB2 SER A 24 -7.005 8.518 -4.762 1.00 0.58 H new ATOM 0 HB3 SER A 24 -5.329 8.598 -5.267 1.00 0.58 H new ATOM 0 HG SER A 24 -6.771 9.436 -6.875 1.00 0.85 H new ATOM 350 N SER A 25 -3.831 6.252 -5.978 1.00 0.49 N ATOM 351 CA SER A 25 -2.741 5.838 -6.844 1.00 0.55 C ATOM 352 C SER A 25 -2.720 4.322 -6.989 1.00 0.56 C ATOM 353 O SER A 25 -2.515 3.816 -8.092 1.00 0.77 O ATOM 354 CB SER A 25 -1.400 6.352 -6.316 1.00 0.62 C ATOM 355 OG SER A 25 -1.383 7.762 -6.368 1.00 2.09 O ATOM 0 H SER A 25 -3.526 6.738 -5.134 1.00 0.49 H new ATOM 0 HA SER A 25 -2.904 6.274 -7.830 1.00 0.55 H new ATOM 0 HB2 SER A 25 -1.247 6.013 -5.291 1.00 0.62 H new ATOM 0 HB3 SER A 25 -0.583 5.946 -6.912 1.00 0.62 H new ATOM 0 HG SER A 25 -1.811 8.124 -5.564 1.00 2.09 H new ATOM 361 N LEU A 26 -2.933 3.627 -5.875 1.00 0.51 N ATOM 362 CA LEU A 26 -3.023 2.185 -5.805 1.00 0.64 C ATOM 363 C LEU A 26 -4.217 1.683 -6.599 1.00 0.62 C ATOM 364 O LEU A 26 -4.073 0.808 -7.446 1.00 0.66 O ATOM 365 CB LEU A 26 -3.184 1.757 -4.347 1.00 0.87 C ATOM 366 CG LEU A 26 -1.921 1.157 -3.736 1.00 0.95 C ATOM 367 CD1 LEU A 26 -1.490 -0.148 -4.398 1.00 2.45 C ATOM 368 CD2 LEU A 26 -0.762 2.155 -3.664 1.00 1.76 C ATOM 0 H LEU A 26 -3.051 4.076 -4.967 1.00 0.51 H new ATOM 0 HA LEU A 26 -2.112 1.760 -6.226 1.00 0.64 H new ATOM 0 HB2 LEU A 26 -3.486 2.622 -3.756 1.00 0.87 H new ATOM 0 HB3 LEU A 26 -3.991 1.027 -4.280 1.00 0.87 H new ATOM 0 HG LEU A 26 -2.197 0.910 -2.711 1.00 0.95 H new ATOM 0 HD11 LEU A 26 -0.586 -0.520 -3.915 1.00 2.45 H new ATOM 0 HD12 LEU A 26 -2.285 -0.887 -4.298 1.00 2.45 H new ATOM 0 HD13 LEU A 26 -1.290 0.029 -5.455 1.00 2.45 H new ATOM 0 HD21 LEU A 26 0.108 1.671 -3.221 1.00 1.76 H new ATOM 0 HD22 LEU A 26 -0.514 2.498 -4.669 1.00 1.76 H new ATOM 0 HD23 LEU A 26 -1.054 3.008 -3.051 1.00 1.76 H new ATOM 380 N THR A 27 -5.411 2.204 -6.310 1.00 0.63 N ATOM 381 CA THR A 27 -6.632 1.685 -6.910 1.00 0.70 C ATOM 382 C THR A 27 -6.607 1.774 -8.445 1.00 0.70 C ATOM 383 O THR A 27 -7.335 1.041 -9.113 1.00 0.99 O ATOM 384 CB THR A 27 -7.877 2.331 -6.287 1.00 0.81 C ATOM 385 OG1 THR A 27 -7.721 3.727 -6.175 1.00 2.03 O ATOM 386 CG2 THR A 27 -8.149 1.757 -4.892 1.00 1.62 C ATOM 0 H THR A 27 -5.554 2.982 -5.666 1.00 0.63 H new ATOM 0 HA THR A 27 -6.688 0.621 -6.680 1.00 0.70 H new ATOM 0 HB THR A 27 -8.717 2.111 -6.946 1.00 0.81 H new ATOM 0 HG1 THR A 27 -7.167 3.933 -5.393 1.00 2.03 H new ATOM 0 HG21 THR A 27 -9.036 2.230 -4.471 1.00 1.62 H new ATOM 0 HG22 THR A 27 -8.312 0.682 -4.966 1.00 1.62 H new ATOM 0 HG23 THR A 27 -7.293 1.950 -4.246 1.00 1.62 H new ATOM 394 N LYS A 28 -5.730 2.611 -9.018 1.00 0.83 N ATOM 395 CA LYS A 28 -5.439 2.562 -10.444 1.00 0.78 C ATOM 396 C LYS A 28 -5.103 1.150 -10.939 1.00 0.80 C ATOM 397 O LYS A 28 -5.527 0.802 -12.043 1.00 1.02 O ATOM 398 CB LYS A 28 -4.282 3.491 -10.830 1.00 0.85 C ATOM 399 CG LYS A 28 -4.561 4.974 -10.544 1.00 2.06 C ATOM 400 CD LYS A 28 -3.648 5.913 -11.352 1.00 2.80 C ATOM 401 CE LYS A 28 -2.246 6.149 -10.762 1.00 3.93 C ATOM 402 NZ LYS A 28 -1.551 4.905 -10.374 1.00 4.65 N ATOM 0 H LYS A 28 -5.213 3.328 -8.509 1.00 0.83 H new ATOM 0 HA LYS A 28 -6.358 2.896 -10.925 1.00 0.78 H new ATOM 0 HB2 LYS A 28 -3.387 3.187 -10.287 1.00 0.85 H new ATOM 0 HB3 LYS A 28 -4.068 3.369 -11.892 1.00 0.85 H new ATOM 0 HG2 LYS A 28 -5.602 5.196 -10.777 1.00 2.06 H new ATOM 0 HG3 LYS A 28 -4.425 5.167 -9.480 1.00 2.06 H new ATOM 0 HD2 LYS A 28 -3.536 5.505 -12.357 1.00 2.80 H new ATOM 0 HD3 LYS A 28 -4.147 6.877 -11.453 1.00 2.80 H new ATOM 0 HE2 LYS A 28 -1.638 6.682 -11.493 1.00 3.93 H new ATOM 0 HE3 LYS A 28 -2.333 6.795 -9.888 1.00 3.93 H new ATOM 0 HZ1 LYS A 28 -0.573 5.126 -10.097 1.00 4.65 H new ATOM 0 HZ2 LYS A 28 -2.047 4.466 -9.573 1.00 4.65 H new ATOM 0 HZ3 LYS A 28 -1.542 4.247 -11.179 1.00 4.65 H new ATOM 416 N HIS A 29 -4.311 0.363 -10.194 1.00 0.71 N ATOM 417 CA HIS A 29 -3.809 -0.908 -10.718 1.00 0.82 C ATOM 418 C HIS A 29 -4.940 -1.926 -10.914 1.00 1.06 C ATOM 419 O HIS A 29 -6.043 -1.755 -10.392 1.00 2.26 O ATOM 420 CB HIS A 29 -2.728 -1.487 -9.801 1.00 0.90 C ATOM 421 CG HIS A 29 -1.631 -0.523 -9.426 1.00 0.94 C ATOM 422 ND1 HIS A 29 -1.365 -0.089 -8.159 1.00 1.54 N flip ATOM 423 CD2 HIS A 29 -0.727 0.084 -10.269 1.00 1.34 C flip ATOM 424 CE1 HIS A 29 -0.312 0.822 -8.222 1.00 1.46 C flip ATOM 425 NE2 HIS A 29 0.051 0.880 -9.512 1.00 1.33 N flip ATOM 0 H HIS A 29 -4.011 0.582 -9.244 1.00 0.71 H new ATOM 0 HA HIS A 29 -3.369 -0.704 -11.694 1.00 0.82 H new ATOM 0 HB2 HIS A 29 -3.202 -1.849 -8.888 1.00 0.90 H new ATOM 0 HB3 HIS A 29 -2.280 -2.351 -10.292 1.00 0.90 H new ATOM 0 HD2 HIS A 29 -0.656 -0.053 -11.338 1.00 1.34 H new ATOM 0 HE1 HIS A 29 0.123 1.370 -7.399 1.00 1.46 H new ATOM 0 HE2 HIS A 29 0.815 1.452 -9.872 1.00 1.33 H new ATOM 433 N ARG A 30 -4.678 -2.987 -11.686 1.00 0.80 N ATOM 434 CA ARG A 30 -5.665 -4.022 -11.994 1.00 0.97 C ATOM 435 C ARG A 30 -5.421 -5.304 -11.194 1.00 0.98 C ATOM 436 O ARG A 30 -6.369 -6.019 -10.891 1.00 1.75 O ATOM 437 CB ARG A 30 -5.702 -4.283 -13.510 1.00 1.32 C ATOM 438 CG ARG A 30 -7.078 -4.778 -13.990 1.00 2.12 C ATOM 439 CD ARG A 30 -8.016 -3.627 -14.396 1.00 2.66 C ATOM 440 NE ARG A 30 -8.203 -2.657 -13.301 1.00 3.63 N ATOM 441 CZ ARG A 30 -7.835 -1.364 -13.307 1.00 4.90 C ATOM 442 NH1 ARG A 30 -7.612 -0.719 -14.457 1.00 5.46 N ATOM 443 NH2 ARG A 30 -7.660 -0.719 -12.156 1.00 6.42 N ATOM 0 H ARG A 30 -3.768 -3.150 -12.116 1.00 0.80 H new ATOM 0 HA ARG A 30 -6.646 -3.659 -11.689 1.00 0.97 H new ATOM 0 HB2 ARG A 30 -5.445 -3.366 -14.040 1.00 1.32 H new ATOM 0 HB3 ARG A 30 -4.944 -5.023 -13.767 1.00 1.32 H new ATOM 0 HG2 ARG A 30 -6.942 -5.447 -14.840 1.00 2.12 H new ATOM 0 HG3 ARG A 30 -7.547 -5.360 -13.197 1.00 2.12 H new ATOM 0 HD2 ARG A 30 -7.607 -3.116 -15.268 1.00 2.66 H new ATOM 0 HD3 ARG A 30 -8.984 -4.034 -14.690 1.00 2.66 H new ATOM 0 HE ARG A 30 -8.657 -3.001 -12.455 1.00 3.63 H new ATOM 0 HH11 ARG A 30 -7.721 -1.208 -15.345 1.00 5.46 H new ATOM 0 HH12 ARG A 30 -7.333 0.262 -14.446 1.00 5.46 H new ATOM 0 HH21 ARG A 30 -7.805 -1.206 -11.271 1.00 6.42 H new ATOM 0 HH22 ARG A 30 -7.381 0.262 -12.158 1.00 6.42 H new ATOM 457 N GLY A 31 -4.166 -5.590 -10.834 1.00 0.85 N ATOM 458 CA GLY A 31 -3.849 -6.735 -9.991 1.00 0.83 C ATOM 459 C GLY A 31 -4.271 -6.526 -8.540 1.00 0.86 C ATOM 460 O GLY A 31 -4.327 -7.486 -7.773 1.00 1.16 O ATOM 0 H GLY A 31 -3.355 -5.040 -11.117 1.00 0.85 H new ATOM 0 HA2 GLY A 31 -4.345 -7.622 -10.386 1.00 0.83 H new ATOM 0 HA3 GLY A 31 -2.776 -6.925 -10.030 1.00 0.83 H new ATOM 464 N ILE A 32 -4.574 -5.283 -8.152 1.00 0.84 N ATOM 465 CA ILE A 32 -5.068 -5.001 -6.817 1.00 0.85 C ATOM 466 C ILE A 32 -6.542 -5.380 -6.740 1.00 0.92 C ATOM 467 O ILE A 32 -7.275 -5.302 -7.724 1.00 1.32 O ATOM 468 CB ILE A 32 -4.821 -3.542 -6.398 1.00 1.02 C ATOM 469 CG1 ILE A 32 -5.613 -2.533 -7.246 1.00 2.04 C ATOM 470 CG2 ILE A 32 -3.316 -3.249 -6.427 1.00 1.44 C ATOM 471 CD1 ILE A 32 -6.961 -2.172 -6.612 1.00 2.91 C ATOM 0 H ILE A 32 -4.483 -4.462 -8.750 1.00 0.84 H new ATOM 0 HA ILE A 32 -4.510 -5.606 -6.102 1.00 0.85 H new ATOM 0 HB ILE A 32 -5.190 -3.419 -5.380 1.00 1.02 H new ATOM 0 HG12 ILE A 32 -5.021 -1.627 -7.376 1.00 2.04 H new ATOM 0 HG13 ILE A 32 -5.781 -2.949 -8.239 1.00 2.04 H new ATOM 0 HG21 ILE A 32 -3.141 -2.215 -6.130 1.00 1.44 H new ATOM 0 HG22 ILE A 32 -2.802 -3.917 -5.736 1.00 1.44 H new ATOM 0 HG23 ILE A 32 -2.934 -3.406 -7.436 1.00 1.44 H new ATOM 0 HD11 ILE A 32 -7.482 -1.457 -7.248 1.00 2.91 H new ATOM 0 HD12 ILE A 32 -7.566 -3.072 -6.506 1.00 2.91 H new ATOM 0 HD13 ILE A 32 -6.794 -1.730 -5.630 1.00 2.91 H new ATOM 483 N LEU A 33 -6.956 -5.772 -5.541 1.00 0.63 N ATOM 484 CA LEU A 33 -8.317 -6.084 -5.159 1.00 0.67 C ATOM 485 C LEU A 33 -8.832 -4.980 -4.230 1.00 0.64 C ATOM 486 O LEU A 33 -9.964 -4.531 -4.392 1.00 0.74 O ATOM 487 CB LEU A 33 -8.325 -7.469 -4.497 1.00 0.71 C ATOM 488 CG LEU A 33 -9.723 -8.030 -4.198 1.00 2.23 C ATOM 489 CD1 LEU A 33 -10.541 -8.246 -5.478 1.00 2.91 C ATOM 490 CD2 LEU A 33 -9.557 -9.376 -3.484 1.00 3.55 C ATOM 0 H LEU A 33 -6.304 -5.886 -4.765 1.00 0.63 H new ATOM 0 HA LEU A 33 -8.984 -6.122 -6.020 1.00 0.67 H new ATOM 0 HB2 LEU A 33 -7.798 -8.169 -5.145 1.00 0.71 H new ATOM 0 HB3 LEU A 33 -7.763 -7.414 -3.564 1.00 0.71 H new ATOM 0 HG LEU A 33 -10.258 -7.310 -3.578 1.00 2.23 H new ATOM 0 HD11 LEU A 33 -11.522 -8.644 -5.220 1.00 2.91 H new ATOM 0 HD12 LEU A 33 -10.660 -7.296 -5.999 1.00 2.91 H new ATOM 0 HD13 LEU A 33 -10.022 -8.952 -6.126 1.00 2.91 H new ATOM 0 HD21 LEU A 33 -10.539 -9.793 -3.262 1.00 3.55 H new ATOM 0 HD22 LEU A 33 -9.008 -10.064 -4.127 1.00 3.55 H new ATOM 0 HD23 LEU A 33 -9.006 -9.230 -2.555 1.00 3.55 H new ATOM 502 N TYR A 34 -8.011 -4.523 -3.271 1.00 0.55 N ATOM 503 CA TYR A 34 -8.356 -3.394 -2.415 1.00 0.57 C ATOM 504 C TYR A 34 -7.095 -2.720 -1.862 1.00 0.54 C ATOM 505 O TYR A 34 -6.014 -3.306 -1.894 1.00 0.58 O ATOM 506 CB TYR A 34 -9.288 -3.862 -1.284 1.00 0.58 C ATOM 507 CG TYR A 34 -9.915 -2.757 -0.450 1.00 0.67 C ATOM 508 CD1 TYR A 34 -10.444 -1.604 -1.061 1.00 1.93 C ATOM 509 CD2 TYR A 34 -9.897 -2.845 0.955 1.00 1.48 C ATOM 510 CE1 TYR A 34 -10.676 -0.451 -0.292 1.00 2.14 C ATOM 511 CE2 TYR A 34 -10.270 -1.734 1.728 1.00 1.50 C ATOM 512 CZ TYR A 34 -10.526 -0.503 1.104 1.00 1.20 C ATOM 513 OH TYR A 34 -10.527 0.641 1.845 1.00 1.68 O ATOM 0 H TYR A 34 -7.096 -4.928 -3.074 1.00 0.55 H new ATOM 0 HA TYR A 34 -8.885 -2.649 -3.009 1.00 0.57 H new ATOM 0 HB2 TYR A 34 -10.087 -4.461 -1.721 1.00 0.58 H new ATOM 0 HB3 TYR A 34 -8.724 -4.518 -0.621 1.00 0.58 H new ATOM 0 HD1 TYR A 34 -10.671 -1.606 -2.117 1.00 1.93 H new ATOM 0 HD2 TYR A 34 -9.597 -3.764 1.437 1.00 1.48 H new ATOM 0 HE1 TYR A 34 -10.968 0.471 -0.772 1.00 2.14 H new ATOM 0 HE2 TYR A 34 -10.360 -1.826 2.800 1.00 1.50 H new ATOM 0 HH TYR A 34 -10.030 0.493 2.676 1.00 1.68 H new ATOM 523 N CYS A 35 -7.250 -1.497 -1.347 1.00 0.55 N ATOM 524 CA CYS A 35 -6.241 -0.696 -0.666 1.00 0.55 C ATOM 525 C CYS A 35 -6.959 0.071 0.443 1.00 0.61 C ATOM 526 O CYS A 35 -7.899 0.805 0.145 1.00 1.03 O ATOM 527 CB CYS A 35 -5.610 0.280 -1.659 1.00 0.65 C ATOM 528 SG CYS A 35 -4.422 1.296 -0.761 1.00 2.14 S ATOM 0 H CYS A 35 -8.146 -1.012 -1.401 1.00 0.55 H new ATOM 0 HA CYS A 35 -5.449 -1.320 -0.253 1.00 0.55 H new ATOM 0 HB2 CYS A 35 -5.116 -0.262 -2.465 1.00 0.65 H new ATOM 0 HB3 CYS A 35 -6.376 0.905 -2.118 1.00 0.65 H new ATOM 0 HG CYS A 35 -3.255 0.723 -0.785 1.00 2.14 H new ATOM 534 N SER A 36 -6.580 -0.158 1.703 1.00 0.47 N ATOM 535 CA SER A 36 -7.086 0.552 2.870 1.00 0.58 C ATOM 536 C SER A 36 -5.881 1.165 3.584 1.00 0.51 C ATOM 537 O SER A 36 -5.192 0.455 4.323 1.00 0.65 O ATOM 538 CB SER A 36 -7.860 -0.419 3.780 1.00 0.80 C ATOM 539 OG SER A 36 -9.092 0.140 4.192 1.00 1.63 O ATOM 0 H SER A 36 -5.888 -0.868 1.942 1.00 0.47 H new ATOM 0 HA SER A 36 -7.782 1.341 2.587 1.00 0.58 H new ATOM 0 HB2 SER A 36 -8.041 -1.354 3.249 1.00 0.80 H new ATOM 0 HB3 SER A 36 -7.257 -0.661 4.655 1.00 0.80 H new ATOM 0 HG SER A 36 -9.564 -0.497 4.767 1.00 1.63 H new ATOM 545 N VAL A 37 -5.581 2.440 3.336 1.00 0.52 N ATOM 546 CA VAL A 37 -4.392 3.100 3.867 1.00 0.56 C ATOM 547 C VAL A 37 -4.756 4.098 4.972 1.00 0.67 C ATOM 548 O VAL A 37 -5.794 4.752 4.910 1.00 0.90 O ATOM 549 CB VAL A 37 -3.527 3.644 2.711 1.00 0.87 C ATOM 550 CG1 VAL A 37 -4.301 4.521 1.732 1.00 1.74 C ATOM 551 CG2 VAL A 37 -2.278 4.364 3.207 1.00 2.23 C ATOM 0 H VAL A 37 -6.161 3.047 2.757 1.00 0.52 H new ATOM 0 HA VAL A 37 -3.752 2.381 4.378 1.00 0.56 H new ATOM 0 HB VAL A 37 -3.210 2.759 2.160 1.00 0.87 H new ATOM 0 HG11 VAL A 37 -3.630 4.868 0.946 1.00 1.74 H new ATOM 0 HG12 VAL A 37 -5.112 3.943 1.288 1.00 1.74 H new ATOM 0 HG13 VAL A 37 -4.715 5.379 2.261 1.00 1.74 H new ATOM 0 HG21 VAL A 37 -1.705 4.727 2.354 1.00 2.23 H new ATOM 0 HG22 VAL A 37 -2.569 5.207 3.834 1.00 2.23 H new ATOM 0 HG23 VAL A 37 -1.666 3.673 3.788 1.00 2.23 H new ATOM 561 N ALA A 38 -3.930 4.175 6.028 1.00 0.61 N ATOM 562 CA ALA A 38 -4.210 4.969 7.219 1.00 0.65 C ATOM 563 C ALA A 38 -2.920 5.438 7.892 1.00 0.63 C ATOM 564 O ALA A 38 -2.084 4.613 8.272 1.00 0.68 O ATOM 565 CB ALA A 38 -5.018 4.139 8.218 1.00 0.76 C ATOM 0 H ALA A 38 -3.040 3.679 6.072 1.00 0.61 H new ATOM 0 HA ALA A 38 -4.780 5.845 6.908 1.00 0.65 H new ATOM 0 HB1 ALA A 38 -5.224 4.737 9.106 1.00 0.76 H new ATOM 0 HB2 ALA A 38 -5.959 3.833 7.760 1.00 0.76 H new ATOM 0 HB3 ALA A 38 -4.448 3.254 8.501 1.00 0.76 H new ATOM 571 N LEU A 39 -2.799 6.753 8.108 1.00 0.71 N ATOM 572 CA LEU A 39 -1.719 7.371 8.878 1.00 0.74 C ATOM 573 C LEU A 39 -1.899 7.179 10.384 1.00 0.67 C ATOM 574 O LEU A 39 -0.959 7.379 11.149 1.00 0.72 O ATOM 575 CB LEU A 39 -1.528 8.846 8.484 1.00 1.03 C ATOM 576 CG LEU A 39 -2.699 9.810 8.761 1.00 0.70 C ATOM 577 CD1 LEU A 39 -2.873 10.172 10.243 1.00 1.45 C ATOM 578 CD2 LEU A 39 -2.420 11.113 8.007 1.00 1.03 C ATOM 0 H LEU A 39 -3.467 7.431 7.742 1.00 0.71 H new ATOM 0 HA LEU A 39 -0.795 6.852 8.622 1.00 0.74 H new ATOM 0 HB2 LEU A 39 -0.649 9.224 9.007 1.00 1.03 H new ATOM 0 HB3 LEU A 39 -1.305 8.884 7.418 1.00 1.03 H new ATOM 0 HG LEU A 39 -3.609 9.303 8.439 1.00 0.70 H new ATOM 0 HD11 LEU A 39 -3.717 10.853 10.355 1.00 1.45 H new ATOM 0 HD12 LEU A 39 -3.060 9.266 10.819 1.00 1.45 H new ATOM 0 HD13 LEU A 39 -1.966 10.654 10.609 1.00 1.45 H new ATOM 0 HD21 LEU A 39 -3.233 11.817 8.184 1.00 1.03 H new ATOM 0 HD22 LEU A 39 -1.483 11.544 8.360 1.00 1.03 H new ATOM 0 HD23 LEU A 39 -2.345 10.907 6.939 1.00 1.03 H new ATOM 590 N ALA A 40 -3.101 6.782 10.818 1.00 0.82 N ATOM 591 CA ALA A 40 -3.367 6.479 12.217 1.00 0.96 C ATOM 592 C ALA A 40 -2.420 5.373 12.675 1.00 0.91 C ATOM 593 O ALA A 40 -1.720 5.514 13.674 1.00 1.12 O ATOM 594 CB ALA A 40 -4.833 6.073 12.393 1.00 1.24 C ATOM 0 H ALA A 40 -3.909 6.664 10.207 1.00 0.82 H new ATOM 0 HA ALA A 40 -3.193 7.361 12.833 1.00 0.96 H new ATOM 0 HB1 ALA A 40 -5.025 5.848 13.442 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -5.478 6.892 12.074 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -5.041 5.190 11.788 1.00 1.24 H new ATOM 600 N THR A 41 -2.380 4.275 11.916 1.00 0.81 N ATOM 601 CA THR A 41 -1.404 3.221 12.105 1.00 0.85 C ATOM 602 C THR A 41 -0.087 3.653 11.458 1.00 0.85 C ATOM 603 O THR A 41 0.976 3.506 12.055 1.00 1.61 O ATOM 604 CB THR A 41 -1.939 1.930 11.460 1.00 1.31 C ATOM 605 OG1 THR A 41 -3.305 2.070 11.105 1.00 2.03 O ATOM 606 CG2 THR A 41 -1.770 0.734 12.396 1.00 1.70 C ATOM 0 H THR A 41 -3.032 4.100 11.151 1.00 0.81 H new ATOM 0 HA THR A 41 -1.229 3.035 13.165 1.00 0.85 H new ATOM 0 HB THR A 41 -1.355 1.751 10.557 1.00 1.31 H new ATOM 0 HG1 THR A 41 -3.813 1.306 11.450 1.00 2.03 H new ATOM 0 HG21 THR A 41 -2.157 -0.163 11.913 1.00 1.70 H new ATOM 0 HG22 THR A 41 -0.713 0.597 12.624 1.00 1.70 H new ATOM 0 HG23 THR A 41 -2.320 0.914 13.320 1.00 1.70 H new ATOM 614 N ASN A 42 -0.180 4.191 10.236 1.00 0.67 N ATOM 615 CA ASN A 42 0.890 4.378 9.258 1.00 0.70 C ATOM 616 C ASN A 42 1.045 3.075 8.502 1.00 0.76 C ATOM 617 O ASN A 42 2.140 2.526 8.430 1.00 1.01 O ATOM 618 CB ASN A 42 2.222 4.911 9.816 1.00 0.86 C ATOM 619 CG ASN A 42 1.996 6.272 10.443 1.00 0.85 C ATOM 620 OD1 ASN A 42 2.146 7.301 9.791 1.00 2.48 O ATOM 621 ND2 ASN A 42 1.546 6.271 11.688 1.00 1.68 N ATOM 0 H ASN A 42 -1.074 4.531 9.882 1.00 0.67 H new ATOM 0 HA ASN A 42 0.594 5.186 8.588 1.00 0.70 H new ATOM 0 HB2 ASN A 42 2.622 4.219 10.557 1.00 0.86 H new ATOM 0 HB3 ASN A 42 2.960 4.984 9.017 1.00 0.86 H new ATOM 0 HD21 ASN A 42 1.308 7.151 12.145 1.00 1.68 H new ATOM 0 HD22 ASN A 42 1.438 5.390 12.190 1.00 1.68 H new ATOM 628 N LYS A 43 -0.062 2.566 7.954 1.00 0.65 N ATOM 629 CA LYS A 43 -0.068 1.304 7.237 1.00 0.75 C ATOM 630 C LYS A 43 -0.981 1.377 6.034 1.00 0.54 C ATOM 631 O LYS A 43 -1.873 2.225 5.978 1.00 0.52 O ATOM 632 CB LYS A 43 -0.382 0.118 8.179 1.00 1.06 C ATOM 633 CG LYS A 43 -1.760 -0.570 8.080 1.00 1.62 C ATOM 634 CD LYS A 43 -2.963 0.378 8.224 1.00 1.14 C ATOM 635 CE LYS A 43 -4.090 -0.215 9.083 1.00 1.56 C ATOM 636 NZ LYS A 43 -4.715 -1.409 8.476 1.00 2.36 N ATOM 0 H LYS A 43 -0.973 3.022 7.999 1.00 0.65 H new ATOM 0 HA LYS A 43 0.935 1.115 6.853 1.00 0.75 H new ATOM 0 HB2 LYS A 43 0.379 -0.644 8.014 1.00 1.06 H new ATOM 0 HB3 LYS A 43 -0.263 0.471 9.203 1.00 1.06 H new ATOM 0 HG2 LYS A 43 -1.829 -1.079 7.119 1.00 1.62 H new ATOM 0 HG3 LYS A 43 -1.824 -1.337 8.852 1.00 1.62 H new ATOM 0 HD2 LYS A 43 -2.629 1.316 8.668 1.00 1.14 H new ATOM 0 HD3 LYS A 43 -3.353 0.615 7.234 1.00 1.14 H new ATOM 0 HE2 LYS A 43 -3.691 -0.479 10.062 1.00 1.56 H new ATOM 0 HE3 LYS A 43 -4.854 0.545 9.244 1.00 1.56 H new ATOM 0 HZ1 LYS A 43 -5.631 -1.592 8.934 1.00 2.36 H new ATOM 0 HZ2 LYS A 43 -4.863 -1.245 7.460 1.00 2.36 H new ATOM 0 HZ3 LYS A 43 -4.092 -2.231 8.607 1.00 2.36 H new ATOM 650 N ALA A 44 -0.753 0.457 5.102 1.00 0.64 N ATOM 651 CA ALA A 44 -1.625 0.185 3.987 1.00 0.53 C ATOM 652 C ALA A 44 -1.961 -1.296 4.017 1.00 0.50 C ATOM 653 O ALA A 44 -1.076 -2.148 3.999 1.00 0.59 O ATOM 654 CB ALA A 44 -0.969 0.644 2.689 1.00 0.63 C ATOM 0 H ALA A 44 0.077 -0.136 5.112 1.00 0.64 H new ATOM 0 HA ALA A 44 -2.559 0.742 4.053 1.00 0.53 H new ATOM 0 HB1 ALA A 44 -1.634 0.435 1.851 1.00 0.63 H new ATOM 0 HB2 ALA A 44 -0.774 1.715 2.739 1.00 0.63 H new ATOM 0 HB3 ALA A 44 -0.029 0.110 2.548 1.00 0.63 H new ATOM 660 N HIS A 45 -3.254 -1.577 4.134 1.00 0.52 N ATOM 661 CA HIS A 45 -3.834 -2.892 4.026 1.00 0.50 C ATOM 662 C HIS A 45 -4.262 -3.039 2.577 1.00 0.47 C ATOM 663 O HIS A 45 -5.338 -2.592 2.185 1.00 0.61 O ATOM 664 CB HIS A 45 -4.964 -3.002 5.051 1.00 0.59 C ATOM 665 CG HIS A 45 -5.387 -4.421 5.282 1.00 0.71 C ATOM 666 ND1 HIS A 45 -5.249 -5.135 6.449 1.00 0.98 N ATOM 667 CD2 HIS A 45 -5.810 -5.274 4.310 1.00 0.81 C ATOM 668 CE1 HIS A 45 -5.617 -6.402 6.180 1.00 1.18 C ATOM 669 NE2 HIS A 45 -5.968 -6.537 4.888 1.00 1.12 N ATOM 0 H HIS A 45 -3.951 -0.854 4.315 1.00 0.52 H new ATOM 0 HA HIS A 45 -3.153 -3.711 4.257 1.00 0.50 H new ATOM 0 HB2 HIS A 45 -4.639 -2.564 5.995 1.00 0.59 H new ATOM 0 HB3 HIS A 45 -5.820 -2.421 4.708 1.00 0.59 H new ATOM 0 HD1 HIS A 45 -4.929 -4.774 7.347 1.00 0.98 H new ATOM 0 HD2 HIS A 45 -5.991 -5.020 3.276 1.00 0.81 H new ATOM 0 HE1 HIS A 45 -5.629 -7.203 6.904 1.00 1.18 H new ATOM 677 N ILE A 46 -3.376 -3.632 1.784 1.00 0.47 N ATOM 678 CA ILE A 46 -3.621 -3.970 0.406 1.00 0.47 C ATOM 679 C ILE A 46 -4.215 -5.369 0.375 1.00 0.52 C ATOM 680 O ILE A 46 -3.921 -6.220 1.218 1.00 0.94 O ATOM 681 CB ILE A 46 -2.336 -3.946 -0.446 1.00 0.64 C ATOM 682 CG1 ILE A 46 -1.162 -3.127 0.108 1.00 1.57 C ATOM 683 CG2 ILE A 46 -2.685 -3.498 -1.874 1.00 1.24 C ATOM 684 CD1 ILE A 46 -1.434 -1.634 0.186 1.00 1.47 C ATOM 0 H ILE A 46 -2.443 -3.894 2.102 1.00 0.47 H new ATOM 0 HA ILE A 46 -4.299 -3.229 -0.019 1.00 0.47 H new ATOM 0 HB ILE A 46 -1.962 -4.970 -0.426 1.00 0.64 H new ATOM 0 HG12 ILE A 46 -0.914 -3.494 1.104 1.00 1.57 H new ATOM 0 HG13 ILE A 46 -0.287 -3.294 -0.520 1.00 1.57 H new ATOM 0 HG21 ILE A 46 -1.780 -3.479 -2.481 1.00 1.24 H new ATOM 0 HG22 ILE A 46 -3.400 -4.196 -2.310 1.00 1.24 H new ATOM 0 HG23 ILE A 46 -3.123 -2.500 -1.845 1.00 1.24 H new ATOM 0 HD11 ILE A 46 -0.558 -1.125 0.587 1.00 1.47 H new ATOM 0 HD12 ILE A 46 -1.651 -1.251 -0.811 1.00 1.47 H new ATOM 0 HD13 ILE A 46 -2.289 -1.453 0.838 1.00 1.47 H new ATOM 696 N LYS A 47 -5.005 -5.621 -0.655 1.00 0.50 N ATOM 697 CA LYS A 47 -5.325 -6.950 -1.108 1.00 0.53 C ATOM 698 C LYS A 47 -5.103 -6.901 -2.614 1.00 0.54 C ATOM 699 O LYS A 47 -5.487 -5.913 -3.237 1.00 0.61 O ATOM 700 CB LYS A 47 -6.766 -7.264 -0.705 1.00 0.60 C ATOM 701 CG LYS A 47 -6.900 -7.430 0.815 1.00 0.69 C ATOM 702 CD LYS A 47 -8.242 -8.053 1.222 1.00 1.01 C ATOM 703 CE LYS A 47 -8.274 -9.559 0.912 1.00 1.78 C ATOM 704 NZ LYS A 47 -9.521 -10.202 1.374 1.00 2.23 N ATOM 0 H LYS A 47 -5.448 -4.886 -1.207 1.00 0.50 H new ATOM 0 HA LYS A 47 -4.717 -7.743 -0.673 1.00 0.53 H new ATOM 0 HB2 LYS A 47 -7.423 -6.463 -1.044 1.00 0.60 H new ATOM 0 HB3 LYS A 47 -7.094 -8.177 -1.202 1.00 0.60 H new ATOM 0 HG2 LYS A 47 -6.086 -8.056 1.182 1.00 0.69 H new ATOM 0 HG3 LYS A 47 -6.795 -6.457 1.294 1.00 0.69 H new ATOM 0 HD2 LYS A 47 -8.411 -7.895 2.287 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -9.053 -7.553 0.693 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -8.168 -9.708 -0.162 1.00 1.78 H new ATOM 0 HE3 LYS A 47 -7.421 -10.043 1.387 1.00 1.78 H new ATOM 0 HZ1 LYS A 47 -9.495 -11.216 1.143 1.00 2.23 H new ATOM 0 HZ2 LYS A 47 -9.612 -10.084 2.403 1.00 2.23 H new ATOM 0 HZ3 LYS A 47 -10.335 -9.760 0.902 1.00 2.23 H new ATOM 718 N TYR A 48 -4.426 -7.899 -3.183 1.00 0.76 N ATOM 719 CA TYR A 48 -3.988 -7.928 -4.571 1.00 0.84 C ATOM 720 C TYR A 48 -3.682 -9.373 -4.920 1.00 0.67 C ATOM 721 O TYR A 48 -3.329 -10.125 -4.016 1.00 0.79 O ATOM 722 CB TYR A 48 -2.725 -7.070 -4.741 1.00 1.07 C ATOM 723 CG TYR A 48 -1.525 -7.512 -3.920 1.00 1.08 C ATOM 724 CD1 TYR A 48 -0.696 -8.555 -4.370 1.00 1.65 C ATOM 725 CD2 TYR A 48 -1.153 -6.787 -2.779 1.00 2.04 C ATOM 726 CE1 TYR A 48 0.485 -8.874 -3.682 1.00 1.70 C ATOM 727 CE2 TYR A 48 0.092 -7.019 -2.174 1.00 2.49 C ATOM 728 CZ TYR A 48 0.893 -8.089 -2.599 1.00 1.80 C ATOM 729 OH TYR A 48 2.081 -8.347 -1.987 1.00 2.31 O ATOM 0 H TYR A 48 -4.160 -8.738 -2.668 1.00 0.76 H new ATOM 0 HA TYR A 48 -4.761 -7.528 -5.227 1.00 0.84 H new ATOM 0 HB2 TYR A 48 -2.444 -7.071 -5.794 1.00 1.07 H new ATOM 0 HB3 TYR A 48 -2.967 -6.041 -4.476 1.00 1.07 H new ATOM 0 HD1 TYR A 48 -0.970 -9.115 -5.252 1.00 1.65 H new ATOM 0 HD2 TYR A 48 -1.825 -6.050 -2.365 1.00 2.04 H new ATOM 0 HE1 TYR A 48 1.077 -9.724 -3.988 1.00 1.70 H new ATOM 0 HE2 TYR A 48 0.434 -6.372 -1.380 1.00 2.49 H new ATOM 0 HH TYR A 48 2.709 -8.724 -2.638 1.00 2.31 H new ATOM 739 N ASP A 49 -3.777 -9.766 -6.190 1.00 0.70 N ATOM 740 CA ASP A 49 -3.295 -11.083 -6.588 1.00 0.69 C ATOM 741 C ASP A 49 -1.768 -11.041 -6.782 1.00 0.63 C ATOM 742 O ASP A 49 -1.295 -10.206 -7.556 1.00 0.67 O ATOM 743 CB ASP A 49 -3.977 -11.584 -7.860 1.00 1.01 C ATOM 744 CG ASP A 49 -3.268 -12.864 -8.274 1.00 2.22 C ATOM 745 OD1 ASP A 49 -2.251 -12.732 -8.989 1.00 3.41 O ATOM 746 OD2 ASP A 49 -3.671 -13.931 -7.755 1.00 3.07 O ATOM 0 H ASP A 49 -4.174 -9.205 -6.943 1.00 0.70 H new ATOM 0 HA ASP A 49 -3.544 -11.784 -5.791 1.00 0.69 H new ATOM 0 HB2 ASP A 49 -5.036 -11.771 -7.681 1.00 1.01 H new ATOM 0 HB3 ASP A 49 -3.914 -10.836 -8.651 1.00 1.01 H new ATOM 751 N PRO A 50 -0.996 -11.901 -6.091 1.00 0.68 N ATOM 752 CA PRO A 50 0.457 -11.862 -6.123 1.00 0.76 C ATOM 753 C PRO A 50 1.093 -12.141 -7.487 1.00 0.98 C ATOM 754 O PRO A 50 2.240 -11.741 -7.687 1.00 1.80 O ATOM 755 CB PRO A 50 0.960 -12.806 -5.028 1.00 0.90 C ATOM 756 CG PRO A 50 -0.240 -13.681 -4.688 1.00 0.98 C ATOM 757 CD PRO A 50 -1.455 -12.845 -5.085 1.00 0.84 C ATOM 0 HA PRO A 50 0.774 -10.837 -5.932 1.00 0.76 H new ATOM 0 HB2 PRO A 50 1.800 -13.406 -5.378 1.00 0.90 H new ATOM 0 HB3 PRO A 50 1.305 -12.252 -4.155 1.00 0.90 H new ATOM 0 HG2 PRO A 50 -0.211 -14.623 -5.236 1.00 0.98 H new ATOM 0 HG3 PRO A 50 -0.260 -13.930 -3.627 1.00 0.98 H new ATOM 0 HD2 PRO A 50 -2.249 -13.478 -5.481 1.00 0.84 H new ATOM 0 HD3 PRO A 50 -1.865 -12.322 -4.221 1.00 0.84 H new ATOM 765 N GLU A 51 0.402 -12.797 -8.425 1.00 0.82 N ATOM 766 CA GLU A 51 0.932 -12.966 -9.767 1.00 0.93 C ATOM 767 C GLU A 51 0.715 -11.672 -10.547 1.00 0.86 C ATOM 768 O GLU A 51 1.622 -11.210 -11.238 1.00 1.42 O ATOM 769 CB GLU A 51 0.298 -14.169 -10.480 1.00 1.23 C ATOM 770 CG GLU A 51 0.638 -15.508 -9.806 1.00 2.21 C ATOM 771 CD GLU A 51 -0.388 -15.908 -8.757 1.00 2.52 C ATOM 772 OE1 GLU A 51 -1.370 -16.582 -9.124 1.00 2.81 O ATOM 773 OE2 GLU A 51 -0.197 -15.582 -7.566 1.00 3.67 O ATOM 0 H GLU A 51 -0.517 -13.214 -8.275 1.00 0.82 H new ATOM 0 HA GLU A 51 2.000 -13.176 -9.707 1.00 0.93 H new ATOM 0 HB2 GLU A 51 -0.784 -14.043 -10.502 1.00 1.23 H new ATOM 0 HB3 GLU A 51 0.638 -14.192 -11.516 1.00 1.23 H new ATOM 0 HG2 GLU A 51 0.700 -16.288 -10.565 1.00 2.21 H new ATOM 0 HG3 GLU A 51 1.621 -15.438 -9.340 1.00 2.21 H new ATOM 780 N ILE A 52 -0.485 -11.088 -10.462 1.00 0.63 N ATOM 781 CA ILE A 52 -0.792 -9.893 -11.248 1.00 0.73 C ATOM 782 C ILE A 52 -0.044 -8.659 -10.713 1.00 0.73 C ATOM 783 O ILE A 52 0.395 -7.828 -11.505 1.00 0.93 O ATOM 784 CB ILE A 52 -2.311 -9.661 -11.383 1.00 0.87 C ATOM 785 CG1 ILE A 52 -3.035 -10.932 -11.869 1.00 2.15 C ATOM 786 CG2 ILE A 52 -2.567 -8.533 -12.401 1.00 1.88 C ATOM 787 CD1 ILE A 52 -4.558 -10.767 -11.928 1.00 3.15 C ATOM 0 H ILE A 52 -1.246 -11.417 -9.868 1.00 0.63 H new ATOM 0 HA ILE A 52 -0.425 -10.065 -12.260 1.00 0.73 H new ATOM 0 HB ILE A 52 -2.697 -9.392 -10.400 1.00 0.87 H new ATOM 0 HG12 ILE A 52 -2.665 -11.198 -12.859 1.00 2.15 H new ATOM 0 HG13 ILE A 52 -2.790 -11.760 -11.204 1.00 2.15 H new ATOM 0 HG21 ILE A 52 -3.640 -8.367 -12.498 1.00 1.88 H new ATOM 0 HG22 ILE A 52 -2.088 -7.616 -12.057 1.00 1.88 H new ATOM 0 HG23 ILE A 52 -2.155 -8.816 -13.369 1.00 1.88 H new ATOM 0 HD11 ILE A 52 -5.011 -11.695 -12.277 1.00 3.15 H new ATOM 0 HD12 ILE A 52 -4.937 -10.530 -10.934 1.00 3.15 H new ATOM 0 HD13 ILE A 52 -4.810 -9.959 -12.615 1.00 3.15 H new ATOM 799 N ILE A 53 0.086 -8.506 -9.389 1.00 0.64 N ATOM 800 CA ILE A 53 0.780 -7.403 -8.738 1.00 0.72 C ATOM 801 C ILE A 53 1.669 -8.035 -7.673 1.00 0.74 C ATOM 802 O ILE A 53 1.171 -8.730 -6.796 1.00 1.19 O ATOM 803 CB ILE A 53 -0.261 -6.435 -8.129 1.00 0.85 C ATOM 804 CG1 ILE A 53 -0.639 -5.300 -9.091 1.00 1.56 C ATOM 805 CG2 ILE A 53 0.167 -5.817 -6.795 1.00 0.93 C ATOM 806 CD1 ILE A 53 0.400 -4.178 -9.180 1.00 0.88 C ATOM 0 H ILE A 53 -0.305 -9.174 -8.724 1.00 0.64 H new ATOM 0 HA ILE A 53 1.387 -6.818 -9.429 1.00 0.72 H new ATOM 0 HB ILE A 53 -1.128 -7.070 -7.946 1.00 0.85 H new ATOM 0 HG12 ILE A 53 -0.791 -5.718 -10.086 1.00 1.56 H new ATOM 0 HG13 ILE A 53 -1.591 -4.874 -8.775 1.00 1.56 H new ATOM 0 HG21 ILE A 53 -0.617 -5.151 -6.434 1.00 0.93 H new ATOM 0 HG22 ILE A 53 0.335 -6.608 -6.065 1.00 0.93 H new ATOM 0 HG23 ILE A 53 1.088 -5.251 -6.935 1.00 0.93 H new ATOM 0 HD11 ILE A 53 0.055 -3.417 -9.881 1.00 0.88 H new ATOM 0 HD12 ILE A 53 0.537 -3.730 -8.196 1.00 0.88 H new ATOM 0 HD13 ILE A 53 1.349 -4.587 -9.527 1.00 0.88 H new ATOM 818 N GLY A 54 2.975 -7.793 -7.719 1.00 0.75 N ATOM 819 CA GLY A 54 3.874 -8.208 -6.662 1.00 0.80 C ATOM 820 C GLY A 54 3.879 -7.172 -5.536 1.00 0.74 C ATOM 821 O GLY A 54 3.397 -6.049 -5.701 1.00 0.80 O ATOM 0 H GLY A 54 3.433 -7.305 -8.489 1.00 0.75 H new ATOM 0 HA2 GLY A 54 3.566 -9.178 -6.272 1.00 0.80 H new ATOM 0 HA3 GLY A 54 4.882 -8.330 -7.059 1.00 0.80 H new ATOM 825 N PRO A 55 4.467 -7.508 -4.378 1.00 0.78 N ATOM 826 CA PRO A 55 4.697 -6.540 -3.319 1.00 0.88 C ATOM 827 C PRO A 55 5.586 -5.408 -3.843 1.00 0.86 C ATOM 828 O PRO A 55 5.323 -4.236 -3.586 1.00 0.95 O ATOM 829 CB PRO A 55 5.356 -7.327 -2.181 1.00 1.08 C ATOM 830 CG PRO A 55 5.999 -8.530 -2.873 1.00 1.04 C ATOM 831 CD PRO A 55 5.081 -8.791 -4.069 1.00 0.88 C ATOM 0 HA PRO A 55 3.781 -6.066 -2.966 1.00 0.88 H new ATOM 0 HB2 PRO A 55 6.100 -6.724 -1.660 1.00 1.08 H new ATOM 0 HB3 PRO A 55 4.623 -7.641 -1.438 1.00 1.08 H new ATOM 0 HG2 PRO A 55 7.019 -8.312 -3.190 1.00 1.04 H new ATOM 0 HG3 PRO A 55 6.049 -9.394 -2.210 1.00 1.04 H new ATOM 0 HD2 PRO A 55 5.645 -9.171 -4.921 1.00 0.88 H new ATOM 0 HD3 PRO A 55 4.326 -9.539 -3.828 1.00 0.88 H new ATOM 839 N ARG A 56 6.633 -5.768 -4.597 1.00 0.86 N ATOM 840 CA ARG A 56 7.566 -4.844 -5.229 1.00 1.03 C ATOM 841 C ARG A 56 6.857 -3.724 -5.980 1.00 0.93 C ATOM 842 O ARG A 56 7.257 -2.575 -5.805 1.00 0.94 O ATOM 843 CB ARG A 56 8.573 -5.610 -6.109 1.00 1.29 C ATOM 844 CG ARG A 56 9.981 -5.539 -5.498 1.00 1.65 C ATOM 845 CD ARG A 56 10.620 -4.165 -5.761 1.00 2.67 C ATOM 846 NE ARG A 56 11.371 -3.654 -4.595 1.00 3.50 N ATOM 847 CZ ARG A 56 11.198 -2.446 -4.026 1.00 4.75 C ATOM 848 NH1 ARG A 56 10.121 -1.710 -4.278 1.00 5.67 N ATOM 849 NH2 ARG A 56 12.104 -1.933 -3.193 1.00 5.75 N ATOM 0 H ARG A 56 6.856 -6.745 -4.786 1.00 0.86 H new ATOM 0 HA ARG A 56 8.132 -4.348 -4.440 1.00 1.03 H new ATOM 0 HB2 ARG A 56 8.264 -6.651 -6.205 1.00 1.29 H new ATOM 0 HB3 ARG A 56 8.584 -5.187 -7.113 1.00 1.29 H new ATOM 0 HG2 ARG A 56 9.926 -5.721 -4.425 1.00 1.65 H new ATOM 0 HG3 ARG A 56 10.607 -6.324 -5.923 1.00 1.65 H new ATOM 0 HD2 ARG A 56 11.291 -4.239 -6.617 1.00 2.67 H new ATOM 0 HD3 ARG A 56 9.841 -3.451 -6.028 1.00 2.67 H new ATOM 0 HE ARG A 56 12.078 -4.266 -4.188 1.00 3.50 H new ATOM 0 HH11 ARG A 56 9.403 -2.057 -4.914 1.00 5.67 H new ATOM 0 HH12 ARG A 56 10.012 -0.798 -3.835 1.00 5.67 H new ATOM 0 HH21 ARG A 56 12.951 -2.458 -2.974 1.00 5.75 H new ATOM 0 HH22 ARG A 56 11.950 -1.016 -2.774 1.00 5.75 H new ATOM 863 N ASP A 57 5.831 -4.032 -6.780 1.00 0.87 N ATOM 864 CA ASP A 57 5.071 -3.027 -7.513 1.00 0.84 C ATOM 865 C ASP A 57 4.511 -1.985 -6.549 1.00 0.67 C ATOM 866 O ASP A 57 4.738 -0.784 -6.697 1.00 0.65 O ATOM 867 CB ASP A 57 3.919 -3.694 -8.278 1.00 0.96 C ATOM 868 CG ASP A 57 4.404 -4.763 -9.239 1.00 1.40 C ATOM 869 OD1 ASP A 57 4.560 -5.908 -8.758 1.00 2.27 O ATOM 870 OD2 ASP A 57 4.615 -4.418 -10.418 1.00 2.46 O ATOM 0 H ASP A 57 5.508 -4.987 -6.934 1.00 0.87 H new ATOM 0 HA ASP A 57 5.736 -2.535 -8.223 1.00 0.84 H new ATOM 0 HB2 ASP A 57 3.223 -4.138 -7.566 1.00 0.96 H new ATOM 0 HB3 ASP A 57 3.367 -2.935 -8.832 1.00 0.96 H new ATOM 875 N ILE A 58 3.761 -2.452 -5.551 1.00 0.62 N ATOM 876 CA ILE A 58 3.067 -1.584 -4.612 1.00 0.60 C ATOM 877 C ILE A 58 4.081 -0.767 -3.820 1.00 0.51 C ATOM 878 O ILE A 58 4.012 0.462 -3.799 1.00 0.51 O ATOM 879 CB ILE A 58 2.162 -2.416 -3.695 1.00 0.65 C ATOM 880 CG1 ILE A 58 1.044 -3.065 -4.523 1.00 0.65 C ATOM 881 CG2 ILE A 58 1.581 -1.528 -2.584 1.00 0.78 C ATOM 882 CD1 ILE A 58 0.548 -4.328 -3.827 1.00 0.76 C ATOM 0 H ILE A 58 3.620 -3.447 -5.374 1.00 0.62 H new ATOM 0 HA ILE A 58 2.430 -0.888 -5.157 1.00 0.60 H new ATOM 0 HB ILE A 58 2.747 -3.207 -3.226 1.00 0.65 H new ATOM 0 HG12 ILE A 58 0.220 -2.363 -4.651 1.00 0.65 H new ATOM 0 HG13 ILE A 58 1.413 -3.309 -5.519 1.00 0.65 H new ATOM 0 HG21 ILE A 58 0.940 -2.127 -1.938 1.00 0.78 H new ATOM 0 HG22 ILE A 58 2.394 -1.103 -1.995 1.00 0.78 H new ATOM 0 HG23 ILE A 58 0.997 -0.723 -3.030 1.00 0.78 H new ATOM 0 HD11 ILE A 58 -0.245 -4.783 -4.420 1.00 0.76 H new ATOM 0 HD12 ILE A 58 1.372 -5.033 -3.722 1.00 0.76 H new ATOM 0 HD13 ILE A 58 0.162 -4.072 -2.840 1.00 0.76 H new ATOM 894 N ILE A 59 5.035 -1.450 -3.183 1.00 0.49 N ATOM 895 CA ILE A 59 6.115 -0.812 -2.455 1.00 0.46 C ATOM 896 C ILE A 59 6.756 0.253 -3.339 1.00 0.46 C ATOM 897 O ILE A 59 6.951 1.387 -2.921 1.00 0.47 O ATOM 898 CB ILE A 59 7.129 -1.888 -2.039 1.00 0.56 C ATOM 899 CG1 ILE A 59 6.530 -2.762 -0.926 1.00 0.67 C ATOM 900 CG2 ILE A 59 8.442 -1.247 -1.580 1.00 0.63 C ATOM 901 CD1 ILE A 59 7.279 -4.085 -0.795 1.00 1.26 C ATOM 0 H ILE A 59 5.073 -2.469 -3.163 1.00 0.49 H new ATOM 0 HA ILE A 59 5.743 -0.321 -1.556 1.00 0.46 H new ATOM 0 HB ILE A 59 7.349 -2.518 -2.901 1.00 0.56 H new ATOM 0 HG12 ILE A 59 6.569 -2.225 0.022 1.00 0.67 H new ATOM 0 HG13 ILE A 59 5.479 -2.956 -1.140 1.00 0.67 H new ATOM 0 HG21 ILE A 59 9.146 -2.027 -1.290 1.00 0.63 H new ATOM 0 HG22 ILE A 59 8.866 -0.661 -2.396 1.00 0.63 H new ATOM 0 HG23 ILE A 59 8.250 -0.596 -0.727 1.00 0.63 H new ATOM 0 HD11 ILE A 59 6.831 -4.680 0.001 1.00 1.26 H new ATOM 0 HD12 ILE A 59 7.218 -4.632 -1.736 1.00 1.26 H new ATOM 0 HD13 ILE A 59 8.324 -3.889 -0.556 1.00 1.26 H new ATOM 913 N HIS A 60 7.105 -0.105 -4.568 1.00 0.51 N ATOM 914 CA HIS A 60 7.809 0.808 -5.440 1.00 0.57 C ATOM 915 C HIS A 60 6.913 1.961 -5.899 1.00 0.51 C ATOM 916 O HIS A 60 7.398 3.066 -6.126 1.00 0.56 O ATOM 917 CB HIS A 60 8.393 0.025 -6.599 1.00 0.81 C ATOM 918 CG HIS A 60 9.216 0.869 -7.508 1.00 1.80 C ATOM 919 ND1 HIS A 60 10.260 1.709 -7.199 1.00 3.59 N ATOM 920 CD2 HIS A 60 8.982 0.945 -8.836 1.00 3.02 C ATOM 921 CE1 HIS A 60 10.640 2.289 -8.352 1.00 4.41 C ATOM 922 NE2 HIS A 60 9.890 1.854 -9.384 1.00 4.25 N ATOM 0 H HIS A 60 6.910 -1.019 -4.977 1.00 0.51 H new ATOM 0 HA HIS A 60 8.626 1.277 -4.892 1.00 0.57 H new ATOM 0 HB2 HIS A 60 9.007 -0.788 -6.210 1.00 0.81 H new ATOM 0 HB3 HIS A 60 7.583 -0.431 -7.168 1.00 0.81 H new ATOM 0 HD1 HIS A 60 10.667 1.862 -6.276 1.00 3.59 H new ATOM 0 HD2 HIS A 60 8.225 0.399 -9.379 1.00 3.02 H new ATOM 0 HE1 HIS A 60 11.441 3.009 -8.439 1.00 4.41 H new ATOM 930 N THR A 61 5.601 1.746 -6.002 1.00 0.51 N ATOM 931 CA THR A 61 4.672 2.846 -6.222 1.00 0.55 C ATOM 932 C THR A 61 4.765 3.801 -5.027 1.00 0.54 C ATOM 933 O THR A 61 4.910 5.010 -5.196 1.00 0.60 O ATOM 934 CB THR A 61 3.253 2.307 -6.462 1.00 0.61 C ATOM 935 OG1 THR A 61 3.275 1.412 -7.556 1.00 0.76 O ATOM 936 CG2 THR A 61 2.267 3.429 -6.797 1.00 0.79 C ATOM 0 H THR A 61 5.164 0.827 -5.937 1.00 0.51 H new ATOM 0 HA THR A 61 4.933 3.406 -7.120 1.00 0.55 H new ATOM 0 HB THR A 61 2.930 1.813 -5.545 1.00 0.61 H new ATOM 0 HG1 THR A 61 3.742 0.590 -7.297 1.00 0.76 H new ATOM 0 HG21 THR A 61 1.276 3.006 -6.959 1.00 0.79 H new ATOM 0 HG22 THR A 61 2.228 4.138 -5.970 1.00 0.79 H new ATOM 0 HG23 THR A 61 2.594 3.943 -7.701 1.00 0.79 H new ATOM 944 N ILE A 62 4.731 3.248 -3.815 1.00 0.52 N ATOM 945 CA ILE A 62 4.894 3.989 -2.571 1.00 0.57 C ATOM 946 C ILE A 62 6.240 4.749 -2.551 1.00 0.63 C ATOM 947 O ILE A 62 6.258 5.927 -2.177 1.00 0.75 O ATOM 948 CB ILE A 62 4.649 3.018 -1.396 1.00 0.48 C ATOM 949 CG1 ILE A 62 3.158 2.635 -1.345 1.00 0.56 C ATOM 950 CG2 ILE A 62 5.072 3.579 -0.038 1.00 0.51 C ATOM 951 CD1 ILE A 62 2.886 1.423 -0.449 1.00 1.22 C ATOM 0 H ILE A 62 4.586 2.249 -3.671 1.00 0.52 H new ATOM 0 HA ILE A 62 4.155 4.784 -2.473 1.00 0.57 H new ATOM 0 HB ILE A 62 5.272 2.144 -1.583 1.00 0.48 H new ATOM 0 HG12 ILE A 62 2.581 3.486 -0.982 1.00 0.56 H new ATOM 0 HG13 ILE A 62 2.808 2.420 -2.355 1.00 0.56 H new ATOM 0 HG21 ILE A 62 4.870 2.842 0.739 1.00 0.51 H new ATOM 0 HG22 ILE A 62 6.138 3.806 -0.054 1.00 0.51 H new ATOM 0 HG23 ILE A 62 4.510 4.489 0.171 1.00 0.51 H new ATOM 0 HD11 ILE A 62 1.819 1.200 -0.452 1.00 1.22 H new ATOM 0 HD12 ILE A 62 3.438 0.561 -0.825 1.00 1.22 H new ATOM 0 HD13 ILE A 62 3.207 1.644 0.569 1.00 1.22 H new ATOM 963 N GLU A 63 7.338 4.115 -2.994 1.00 0.65 N ATOM 964 CA GLU A 63 8.637 4.773 -3.151 1.00 0.80 C ATOM 965 C GLU A 63 8.484 5.970 -4.094 1.00 0.66 C ATOM 966 O GLU A 63 8.805 7.103 -3.746 1.00 0.69 O ATOM 967 CB GLU A 63 9.692 3.803 -3.719 1.00 1.06 C ATOM 968 CG GLU A 63 10.094 2.640 -2.792 1.00 1.15 C ATOM 969 CD GLU A 63 10.864 1.552 -3.538 1.00 1.43 C ATOM 970 OE1 GLU A 63 11.263 1.800 -4.694 1.00 2.61 O ATOM 971 OE2 GLU A 63 10.977 0.429 -2.995 1.00 1.74 O ATOM 0 H GLU A 63 7.345 3.128 -3.253 1.00 0.65 H new ATOM 0 HA GLU A 63 8.976 5.105 -2.170 1.00 0.80 H new ATOM 0 HB2 GLU A 63 9.311 3.386 -4.651 1.00 1.06 H new ATOM 0 HB3 GLU A 63 10.588 4.373 -3.967 1.00 1.06 H new ATOM 0 HG2 GLU A 63 10.707 3.023 -1.976 1.00 1.15 H new ATOM 0 HG3 GLU A 63 9.199 2.208 -2.344 1.00 1.15 H new ATOM 978 N SER A 64 7.996 5.686 -5.304 1.00 0.62 N ATOM 979 CA SER A 64 7.863 6.635 -6.397 1.00 0.62 C ATOM 980 C SER A 64 7.043 7.855 -5.972 1.00 0.55 C ATOM 981 O SER A 64 7.398 8.983 -6.306 1.00 0.75 O ATOM 982 CB SER A 64 7.250 5.912 -7.605 1.00 0.66 C ATOM 983 OG SER A 64 7.258 6.738 -8.753 1.00 1.40 O ATOM 0 H SER A 64 7.672 4.751 -5.552 1.00 0.62 H new ATOM 0 HA SER A 64 8.845 7.015 -6.680 1.00 0.62 H new ATOM 0 HB2 SER A 64 7.809 4.998 -7.807 1.00 0.66 H new ATOM 0 HB3 SER A 64 6.227 5.616 -7.374 1.00 0.66 H new ATOM 0 HG SER A 64 6.864 6.253 -9.508 1.00 1.40 H new ATOM 989 N LEU A 65 5.946 7.636 -5.238 1.00 0.46 N ATOM 990 CA LEU A 65 5.091 8.715 -4.766 1.00 0.49 C ATOM 991 C LEU A 65 5.856 9.663 -3.834 1.00 0.59 C ATOM 992 O LEU A 65 6.223 10.761 -4.246 1.00 0.92 O ATOM 993 CB LEU A 65 3.832 8.148 -4.095 1.00 0.59 C ATOM 994 CG LEU A 65 2.831 7.531 -5.086 1.00 0.73 C ATOM 995 CD1 LEU A 65 1.831 6.668 -4.309 1.00 2.17 C ATOM 996 CD2 LEU A 65 2.062 8.604 -5.865 1.00 1.44 C ATOM 0 H LEU A 65 5.632 6.706 -4.959 1.00 0.46 H new ATOM 0 HA LEU A 65 4.773 9.304 -5.627 1.00 0.49 H new ATOM 0 HB2 LEU A 65 4.127 7.389 -3.370 1.00 0.59 H new ATOM 0 HB3 LEU A 65 3.337 8.944 -3.539 1.00 0.59 H new ATOM 0 HG LEU A 65 3.392 6.931 -5.803 1.00 0.73 H new ATOM 0 HD11 LEU A 65 1.116 6.226 -5.003 1.00 2.17 H new ATOM 0 HD12 LEU A 65 2.365 5.876 -3.784 1.00 2.17 H new ATOM 0 HD13 LEU A 65 1.300 7.288 -3.587 1.00 2.17 H new ATOM 0 HD21 LEU A 65 1.366 8.125 -6.554 1.00 1.44 H new ATOM 0 HD22 LEU A 65 1.508 9.233 -5.168 1.00 1.44 H new ATOM 0 HD23 LEU A 65 2.764 9.218 -6.428 1.00 1.44 H new ATOM 1008 N GLY A 66 5.995 9.320 -2.549 1.00 0.55 N ATOM 1009 CA GLY A 66 6.782 10.148 -1.641 1.00 0.65 C ATOM 1010 C GLY A 66 7.222 9.445 -0.359 1.00 0.56 C ATOM 1011 O GLY A 66 7.490 10.135 0.623 1.00 0.74 O ATOM 0 H GLY A 66 5.580 8.491 -2.124 1.00 0.55 H new ATOM 0 HA2 GLY A 66 7.668 10.501 -2.168 1.00 0.65 H new ATOM 0 HA3 GLY A 66 6.197 11.029 -1.375 1.00 0.65 H new ATOM 1015 N PHE A 67 7.199 8.110 -0.303 1.00 0.50 N ATOM 1016 CA PHE A 67 7.043 7.409 0.969 1.00 0.47 C ATOM 1017 C PHE A 67 7.991 6.214 1.053 1.00 0.59 C ATOM 1018 O PHE A 67 8.656 5.885 0.077 1.00 0.85 O ATOM 1019 CB PHE A 67 5.585 6.950 1.062 1.00 0.50 C ATOM 1020 CG PHE A 67 4.558 8.030 0.781 1.00 0.49 C ATOM 1021 CD1 PHE A 67 4.560 9.204 1.551 1.00 2.12 C ATOM 1022 CD2 PHE A 67 3.702 7.929 -0.332 1.00 1.93 C ATOM 1023 CE1 PHE A 67 3.694 10.261 1.234 1.00 2.17 C ATOM 1024 CE2 PHE A 67 2.829 8.986 -0.647 1.00 1.89 C ATOM 1025 CZ PHE A 67 2.812 10.144 0.147 1.00 0.58 C ATOM 0 H PHE A 67 7.286 7.501 -1.116 1.00 0.50 H new ATOM 0 HA PHE A 67 7.290 8.071 1.799 1.00 0.47 H new ATOM 0 HB2 PHE A 67 5.431 6.131 0.359 1.00 0.50 H new ATOM 0 HB3 PHE A 67 5.408 6.551 2.061 1.00 0.50 H new ATOM 0 HD1 PHE A 67 5.232 9.294 2.392 1.00 2.12 H new ATOM 0 HD2 PHE A 67 3.716 7.039 -0.944 1.00 1.93 H new ATOM 0 HE1 PHE A 67 3.705 11.165 1.826 1.00 2.17 H new ATOM 0 HE2 PHE A 67 2.171 8.907 -1.500 1.00 1.89 H new ATOM 0 HZ PHE A 67 2.122 10.944 -0.078 1.00 0.58 H new ATOM 1035 N GLU A 68 8.021 5.545 2.207 1.00 0.60 N ATOM 1036 CA GLU A 68 8.751 4.296 2.404 1.00 0.77 C ATOM 1037 C GLU A 68 7.769 3.269 2.962 1.00 0.67 C ATOM 1038 O GLU A 68 6.745 3.664 3.521 1.00 0.77 O ATOM 1039 CB GLU A 68 9.871 4.498 3.426 1.00 1.09 C ATOM 1040 CG GLU A 68 10.827 5.669 3.155 1.00 2.07 C ATOM 1041 CD GLU A 68 11.656 5.944 4.399 1.00 2.53 C ATOM 1042 OE1 GLU A 68 11.821 4.999 5.207 1.00 2.94 O ATOM 1043 OE2 GLU A 68 12.013 7.121 4.640 1.00 3.34 O ATOM 0 H GLU A 68 7.530 5.863 3.043 1.00 0.60 H new ATOM 0 HA GLU A 68 9.183 3.965 1.460 1.00 0.77 H new ATOM 0 HB2 GLU A 68 9.419 4.644 4.407 1.00 1.09 H new ATOM 0 HB3 GLU A 68 10.458 3.581 3.479 1.00 1.09 H new ATOM 0 HG2 GLU A 68 11.480 5.433 2.315 1.00 2.07 H new ATOM 0 HG3 GLU A 68 10.261 6.558 2.878 1.00 2.07 H new ATOM 1050 N ALA A 69 8.087 1.973 2.870 1.00 0.67 N ATOM 1051 CA ALA A 69 7.276 0.919 3.465 1.00 0.65 C ATOM 1052 C ALA A 69 8.126 -0.192 4.075 1.00 0.72 C ATOM 1053 O ALA A 69 9.300 -0.340 3.742 1.00 0.88 O ATOM 1054 CB ALA A 69 6.313 0.348 2.423 1.00 0.91 C ATOM 0 H ALA A 69 8.914 1.631 2.380 1.00 0.67 H new ATOM 0 HA ALA A 69 6.705 1.365 4.279 1.00 0.65 H new ATOM 0 HB1 ALA A 69 5.711 -0.439 2.877 1.00 0.91 H new ATOM 0 HB2 ALA A 69 5.659 1.141 2.059 1.00 0.91 H new ATOM 0 HB3 ALA A 69 6.882 -0.065 1.590 1.00 0.91 H new ATOM 1060 N SER A 70 7.529 -0.971 4.982 1.00 0.72 N ATOM 1061 CA SER A 70 8.091 -2.181 5.571 1.00 0.87 C ATOM 1062 C SER A 70 6.925 -3.050 6.044 1.00 0.76 C ATOM 1063 O SER A 70 5.896 -2.510 6.434 1.00 0.76 O ATOM 1064 CB SER A 70 9.015 -1.815 6.738 1.00 1.09 C ATOM 1065 OG SER A 70 10.192 -1.194 6.256 1.00 1.96 O ATOM 0 H SER A 70 6.597 -0.762 5.340 1.00 0.72 H new ATOM 0 HA SER A 70 8.688 -2.728 4.841 1.00 0.87 H new ATOM 0 HB2 SER A 70 8.497 -1.145 7.425 1.00 1.09 H new ATOM 0 HB3 SER A 70 9.273 -2.712 7.301 1.00 1.09 H new ATOM 0 HG SER A 70 10.066 -0.937 5.319 1.00 1.96 H new ATOM 1071 N LEU A 71 7.048 -4.378 5.985 1.00 0.95 N ATOM 1072 CA LEU A 71 5.966 -5.285 6.369 1.00 0.91 C ATOM 1073 C LEU A 71 5.552 -5.067 7.830 1.00 1.15 C ATOM 1074 O LEU A 71 6.381 -4.653 8.639 1.00 1.88 O ATOM 1075 CB LEU A 71 6.405 -6.741 6.149 1.00 1.44 C ATOM 1076 CG LEU A 71 6.805 -7.065 4.699 1.00 1.35 C ATOM 1077 CD1 LEU A 71 7.294 -8.517 4.626 1.00 2.12 C ATOM 1078 CD2 LEU A 71 5.635 -6.875 3.727 1.00 2.50 C ATOM 0 H LEU A 71 7.895 -4.852 5.672 1.00 0.95 H new ATOM 0 HA LEU A 71 5.100 -5.072 5.742 1.00 0.91 H new ATOM 0 HB2 LEU A 71 7.249 -6.958 6.804 1.00 1.44 H new ATOM 0 HB3 LEU A 71 5.592 -7.403 6.447 1.00 1.44 H new ATOM 0 HG LEU A 71 7.597 -6.376 4.406 1.00 1.35 H new ATOM 0 HD11 LEU A 71 7.579 -8.754 3.601 1.00 2.12 H new ATOM 0 HD12 LEU A 71 8.156 -8.644 5.281 1.00 2.12 H new ATOM 0 HD13 LEU A 71 6.495 -9.187 4.944 1.00 2.12 H new ATOM 0 HD21 LEU A 71 5.960 -7.114 2.715 1.00 2.50 H new ATOM 0 HD22 LEU A 71 4.816 -7.536 4.010 1.00 2.50 H new ATOM 0 HD23 LEU A 71 5.296 -5.840 3.764 1.00 2.50 H new