USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 HIS : no HE2:sc= -0.0896 K(o=0.74,f=-5.2!) USER MOD Set 1.2: A 61 THR OG1 : rot 76:sc= 0.832 USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= 0.786 USER MOD Set 2.2: A 17 SER OG : rot -85:sc= 1.19 USER MOD Set 2.3: A 18 CYS SG : rot 180:sc= 0.717 USER MOD Set 2.4: A 21 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0.216) USER MOD Set 3.1: A 13 MET CE :methyl -168:sc= -0.171 (180deg=-0.427) USER MOD Set 3.2: A 42 ASN : amide:sc= 0.878 K(o=0.71,f=-5.9!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.042) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 82:sc= 0.426 USER MOD Single : A 27 THR OG1 : rot 79:sc= 0.913 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 180:sc=-0.00282 USER MOD Single : A 36 SER OG : rot 50:sc= 1.26 USER MOD Single : A 41 THR OG1 : rot -34:sc= 0.918 USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 1.06 (180deg=1.04) USER MOD Single : A 45 HIS : no HE2:sc= 0.688 K(o=0.69,f=-5.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.24) USER MOD Single : A 64 SER OG : rot -21:sc= 0.159 USER MOD Single : A 70 SER OG : rot -1:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 4.123 4.670 -12.788 1.00 1.60 N ATOM 40 CA GLY A 4 4.821 3.658 -12.013 1.00 1.36 C ATOM 41 C GLY A 4 3.852 2.790 -11.209 1.00 1.27 C ATOM 42 O GLY A 4 2.692 3.146 -10.986 1.00 1.82 O ATOM 0 HA2 GLY A 4 5.405 3.026 -12.682 1.00 1.36 H new ATOM 0 HA3 GLY A 4 5.525 4.141 -11.335 1.00 1.36 H new ATOM 46 N VAL A 5 4.336 1.629 -10.756 1.00 0.90 N ATOM 47 CA VAL A 5 3.540 0.684 -9.996 1.00 0.89 C ATOM 48 C VAL A 5 4.444 -0.169 -9.110 1.00 0.86 C ATOM 49 O VAL A 5 5.602 -0.413 -9.449 1.00 1.22 O ATOM 50 CB VAL A 5 2.653 -0.147 -10.944 1.00 1.13 C ATOM 51 CG1 VAL A 5 3.468 -0.947 -11.968 1.00 1.68 C ATOM 52 CG2 VAL A 5 1.729 -1.100 -10.176 1.00 2.02 C ATOM 0 H VAL A 5 5.297 1.325 -10.912 1.00 0.90 H new ATOM 0 HA VAL A 5 2.864 1.218 -9.328 1.00 0.89 H new ATOM 0 HB VAL A 5 2.046 0.580 -11.484 1.00 1.13 H new ATOM 0 HG11 VAL A 5 2.792 -1.513 -12.609 1.00 1.68 H new ATOM 0 HG12 VAL A 5 4.058 -0.263 -12.578 1.00 1.68 H new ATOM 0 HG13 VAL A 5 4.134 -1.634 -11.446 1.00 1.68 H new ATOM 0 HG21 VAL A 5 1.122 -1.666 -10.882 1.00 2.02 H new ATOM 0 HG22 VAL A 5 2.329 -1.788 -9.581 1.00 2.02 H new ATOM 0 HG23 VAL A 5 1.078 -0.524 -9.518 1.00 2.02 H new ATOM 62 N LEU A 6 3.906 -0.597 -7.970 1.00 0.71 N ATOM 63 CA LEU A 6 4.492 -1.544 -7.045 1.00 0.95 C ATOM 64 C LEU A 6 3.327 -2.272 -6.380 1.00 0.75 C ATOM 65 O LEU A 6 2.210 -1.753 -6.356 1.00 1.23 O ATOM 66 CB LEU A 6 5.368 -0.780 -6.038 1.00 1.35 C ATOM 67 CG LEU A 6 6.104 -1.644 -5.001 1.00 1.83 C ATOM 68 CD1 LEU A 6 7.074 -2.627 -5.672 1.00 2.76 C ATOM 69 CD2 LEU A 6 6.887 -0.719 -4.062 1.00 2.31 C ATOM 0 H LEU A 6 2.994 -0.267 -7.655 1.00 0.71 H new ATOM 0 HA LEU A 6 5.139 -2.273 -7.533 1.00 0.95 H new ATOM 0 HB2 LEU A 6 6.108 -0.203 -6.593 1.00 1.35 H new ATOM 0 HB3 LEU A 6 4.739 -0.065 -5.507 1.00 1.35 H new ATOM 0 HG LEU A 6 5.368 -2.227 -4.447 1.00 1.83 H new ATOM 0 HD11 LEU A 6 7.576 -3.221 -4.908 1.00 2.76 H new ATOM 0 HD12 LEU A 6 6.519 -3.287 -6.339 1.00 2.76 H new ATOM 0 HD13 LEU A 6 7.816 -2.072 -6.246 1.00 2.76 H new ATOM 0 HD21 LEU A 6 7.415 -1.317 -3.319 1.00 2.31 H new ATOM 0 HD22 LEU A 6 7.607 -0.139 -4.640 1.00 2.31 H new ATOM 0 HD23 LEU A 6 6.196 -0.043 -3.558 1.00 2.31 H new ATOM 81 N GLU A 7 3.577 -3.462 -5.835 1.00 0.61 N ATOM 82 CA GLU A 7 2.673 -4.078 -4.887 1.00 0.83 C ATOM 83 C GLU A 7 3.472 -4.485 -3.677 1.00 0.87 C ATOM 84 O GLU A 7 4.673 -4.745 -3.778 1.00 1.13 O ATOM 85 CB GLU A 7 1.990 -5.322 -5.433 1.00 1.21 C ATOM 86 CG GLU A 7 1.384 -5.058 -6.796 1.00 1.00 C ATOM 87 CD GLU A 7 0.413 -6.160 -7.166 1.00 1.09 C ATOM 88 OE1 GLU A 7 0.671 -7.322 -6.780 1.00 2.62 O ATOM 89 OE2 GLU A 7 -0.676 -5.856 -7.705 1.00 1.87 O ATOM 0 H GLU A 7 4.408 -4.016 -6.042 1.00 0.61 H new ATOM 0 HA GLU A 7 1.897 -3.349 -4.655 1.00 0.83 H new ATOM 0 HB2 GLU A 7 2.712 -6.135 -5.504 1.00 1.21 H new ATOM 0 HB3 GLU A 7 1.212 -5.646 -4.742 1.00 1.21 H new ATOM 0 HG2 GLU A 7 0.869 -4.097 -6.792 1.00 1.00 H new ATOM 0 HG3 GLU A 7 2.173 -4.993 -7.545 1.00 1.00 H new ATOM 96 N LEU A 8 2.768 -4.622 -2.562 1.00 0.68 N ATOM 97 CA LEU A 8 3.279 -5.348 -1.430 1.00 0.66 C ATOM 98 C LEU A 8 2.219 -6.317 -0.946 1.00 0.53 C ATOM 99 O LEU A 8 1.033 -6.001 -0.996 1.00 0.53 O ATOM 100 CB LEU A 8 3.876 -4.397 -0.371 1.00 0.93 C ATOM 101 CG LEU A 8 3.041 -3.302 0.301 1.00 1.17 C ATOM 102 CD1 LEU A 8 2.618 -2.182 -0.650 1.00 1.85 C ATOM 103 CD2 LEU A 8 1.874 -3.854 1.114 1.00 2.98 C ATOM 0 H LEU A 8 1.835 -4.233 -2.426 1.00 0.68 H new ATOM 0 HA LEU A 8 4.134 -5.964 -1.710 1.00 0.66 H new ATOM 0 HB2 LEU A 8 4.272 -5.025 0.427 1.00 0.93 H new ATOM 0 HB3 LEU A 8 4.727 -3.901 -0.838 1.00 0.93 H new ATOM 0 HG LEU A 8 3.716 -2.835 1.018 1.00 1.17 H new ATOM 0 HD11 LEU A 8 2.031 -1.444 -0.104 1.00 1.85 H new ATOM 0 HD12 LEU A 8 3.505 -1.704 -1.067 1.00 1.85 H new ATOM 0 HD13 LEU A 8 2.017 -2.599 -1.458 1.00 1.85 H new ATOM 0 HD21 LEU A 8 1.322 -3.029 1.564 1.00 2.98 H new ATOM 0 HD22 LEU A 8 1.211 -4.420 0.460 1.00 2.98 H new ATOM 0 HD23 LEU A 8 2.254 -4.508 1.899 1.00 2.98 H new ATOM 115 N VAL A 9 2.649 -7.503 -0.509 1.00 0.50 N ATOM 116 CA VAL A 9 1.783 -8.386 0.250 1.00 0.46 C ATOM 117 C VAL A 9 1.732 -7.806 1.661 1.00 0.51 C ATOM 118 O VAL A 9 2.777 -7.485 2.233 1.00 0.71 O ATOM 119 CB VAL A 9 2.319 -9.827 0.210 1.00 0.54 C ATOM 120 CG1 VAL A 9 1.600 -10.732 1.221 1.00 1.86 C ATOM 121 CG2 VAL A 9 2.111 -10.408 -1.194 1.00 1.78 C ATOM 0 H VAL A 9 3.588 -7.866 -0.671 1.00 0.50 H new ATOM 0 HA VAL A 9 0.776 -8.443 -0.164 1.00 0.46 H new ATOM 0 HB VAL A 9 3.378 -9.792 0.467 1.00 0.54 H new ATOM 0 HG11 VAL A 9 2.008 -11.741 1.161 1.00 1.86 H new ATOM 0 HG12 VAL A 9 1.746 -10.341 2.228 1.00 1.86 H new ATOM 0 HG13 VAL A 9 0.534 -10.757 0.993 1.00 1.86 H new ATOM 0 HG21 VAL A 9 2.490 -11.429 -1.225 1.00 1.78 H new ATOM 0 HG22 VAL A 9 1.048 -10.408 -1.434 1.00 1.78 H new ATOM 0 HG23 VAL A 9 2.647 -9.800 -1.923 1.00 1.78 H new ATOM 131 N VAL A 10 0.522 -7.617 2.189 1.00 0.47 N ATOM 132 CA VAL A 10 0.304 -7.129 3.540 1.00 0.53 C ATOM 133 C VAL A 10 0.065 -8.340 4.427 1.00 0.70 C ATOM 134 O VAL A 10 -0.544 -9.317 3.992 1.00 1.25 O ATOM 135 CB VAL A 10 -0.912 -6.189 3.603 1.00 0.81 C ATOM 136 CG1 VAL A 10 -1.087 -5.635 5.021 1.00 1.99 C ATOM 137 CG2 VAL A 10 -0.770 -5.001 2.661 1.00 1.34 C ATOM 0 H VAL A 10 -0.342 -7.803 1.679 1.00 0.47 H new ATOM 0 HA VAL A 10 1.173 -6.561 3.873 1.00 0.53 H new ATOM 0 HB VAL A 10 -1.775 -6.784 3.305 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -1.952 -4.972 5.048 1.00 1.99 H new ATOM 0 HG12 VAL A 10 -1.240 -6.459 5.717 1.00 1.99 H new ATOM 0 HG13 VAL A 10 -0.194 -5.079 5.307 1.00 1.99 H new ATOM 0 HG21 VAL A 10 -1.652 -4.366 2.741 1.00 1.34 H new ATOM 0 HG22 VAL A 10 0.116 -4.426 2.931 1.00 1.34 H new ATOM 0 HG23 VAL A 10 -0.672 -5.359 1.636 1.00 1.34 H new ATOM 147 N ARG A 11 0.520 -8.266 5.675 1.00 0.57 N ATOM 148 CA ARG A 11 0.128 -9.206 6.702 1.00 0.68 C ATOM 149 C ARG A 11 -0.699 -8.432 7.727 1.00 0.50 C ATOM 150 O ARG A 11 -0.432 -7.263 7.992 1.00 0.82 O ATOM 151 CB ARG A 11 1.363 -9.828 7.358 1.00 1.08 C ATOM 152 CG ARG A 11 2.481 -10.299 6.411 1.00 1.19 C ATOM 153 CD ARG A 11 3.428 -9.144 6.040 1.00 2.46 C ATOM 154 NE ARG A 11 4.750 -9.592 5.589 1.00 3.30 N ATOM 155 CZ ARG A 11 5.746 -10.014 6.384 1.00 3.84 C ATOM 156 NH1 ARG A 11 5.585 -10.136 7.707 1.00 3.87 N ATOM 157 NH2 ARG A 11 6.920 -10.304 5.819 1.00 5.01 N ATOM 0 H ARG A 11 1.171 -7.549 5.995 1.00 0.57 H new ATOM 0 HA ARG A 11 -0.456 -10.023 6.278 1.00 0.68 H new ATOM 0 HB2 ARG A 11 1.786 -9.099 8.049 1.00 1.08 H new ATOM 0 HB3 ARG A 11 1.039 -10.681 7.954 1.00 1.08 H new ATOM 0 HG2 ARG A 11 3.049 -11.099 6.886 1.00 1.19 H new ATOM 0 HG3 ARG A 11 2.041 -10.716 5.505 1.00 1.19 H new ATOM 0 HD2 ARG A 11 2.968 -8.546 5.253 1.00 2.46 H new ATOM 0 HD3 ARG A 11 3.550 -8.493 6.905 1.00 2.46 H new ATOM 0 HE ARG A 11 4.928 -9.582 4.585 1.00 3.30 H new ATOM 0 HH11 ARG A 11 4.688 -9.906 8.135 1.00 3.87 H new ATOM 0 HH12 ARG A 11 6.359 -10.459 8.287 1.00 3.87 H new ATOM 0 HH21 ARG A 11 7.040 -10.202 4.811 1.00 5.01 H new ATOM 0 HH22 ARG A 11 7.697 -10.627 6.395 1.00 5.01 H new ATOM 171 N GLY A 12 -1.737 -9.058 8.277 1.00 0.72 N ATOM 172 CA GLY A 12 -2.445 -8.553 9.443 1.00 0.81 C ATOM 173 C GLY A 12 -3.720 -7.834 9.029 1.00 0.86 C ATOM 174 O GLY A 12 -4.783 -8.086 9.593 1.00 1.49 O ATOM 0 H GLY A 12 -2.111 -9.937 7.920 1.00 0.72 H new ATOM 0 HA2 GLY A 12 -2.688 -9.378 10.112 1.00 0.81 H new ATOM 0 HA3 GLY A 12 -1.801 -7.871 9.998 1.00 0.81 H new ATOM 178 N MET A 13 -3.627 -6.944 8.037 1.00 0.89 N ATOM 179 CA MET A 13 -4.807 -6.255 7.535 1.00 1.08 C ATOM 180 C MET A 13 -5.797 -7.287 6.981 1.00 1.26 C ATOM 181 O MET A 13 -5.381 -8.303 6.420 1.00 1.80 O ATOM 182 CB MET A 13 -4.415 -5.140 6.547 1.00 1.95 C ATOM 183 CG MET A 13 -4.613 -5.501 5.072 1.00 0.84 C ATOM 184 SD MET A 13 -6.309 -5.251 4.492 1.00 2.05 S ATOM 185 CE MET A 13 -6.404 -6.559 3.261 1.00 1.43 C ATOM 0 H MET A 13 -2.755 -6.689 7.573 1.00 0.89 H new ATOM 0 HA MET A 13 -5.322 -5.736 8.343 1.00 1.08 H new ATOM 0 HB2 MET A 13 -5.002 -4.249 6.772 1.00 1.95 H new ATOM 0 HB3 MET A 13 -3.368 -4.881 6.707 1.00 1.95 H new ATOM 0 HG2 MET A 13 -3.937 -4.899 4.465 1.00 0.84 H new ATOM 0 HG3 MET A 13 -4.335 -6.544 4.920 1.00 0.84 H new ATOM 0 HE1 MET A 13 -7.299 -6.423 2.653 1.00 1.43 H new ATOM 0 HE2 MET A 13 -5.522 -6.522 2.622 1.00 1.43 H new ATOM 0 HE3 MET A 13 -6.449 -7.527 3.761 1.00 1.43 H new ATOM 195 N THR A 14 -7.100 -7.055 7.163 1.00 1.25 N ATOM 196 CA THR A 14 -8.116 -8.034 6.803 1.00 1.79 C ATOM 197 C THR A 14 -9.494 -7.375 6.682 1.00 1.73 C ATOM 198 O THR A 14 -10.054 -7.303 5.593 1.00 3.33 O ATOM 199 CB THR A 14 -8.059 -9.228 7.782 1.00 2.15 C ATOM 200 OG1 THR A 14 -9.088 -10.153 7.500 1.00 2.97 O ATOM 201 CG2 THR A 14 -8.128 -8.853 9.270 1.00 1.79 C ATOM 0 H THR A 14 -7.472 -6.192 7.560 1.00 1.25 H new ATOM 0 HA THR A 14 -7.913 -8.441 5.813 1.00 1.79 H new ATOM 0 HB THR A 14 -7.075 -9.667 7.618 1.00 2.15 H new ATOM 0 HG1 THR A 14 -9.035 -10.903 8.129 1.00 2.97 H new ATOM 0 HG21 THR A 14 -8.081 -9.758 9.876 1.00 1.79 H new ATOM 0 HG22 THR A 14 -7.289 -8.204 9.521 1.00 1.79 H new ATOM 0 HG23 THR A 14 -9.063 -8.330 9.471 1.00 1.79 H new ATOM 209 N CYS A 15 -10.054 -6.887 7.791 1.00 0.91 N ATOM 210 CA CYS A 15 -11.427 -6.396 7.826 1.00 0.99 C ATOM 211 C CYS A 15 -11.594 -5.169 6.924 1.00 0.76 C ATOM 212 O CYS A 15 -10.666 -4.369 6.819 1.00 1.04 O ATOM 213 CB CYS A 15 -11.789 -6.058 9.276 1.00 1.46 C ATOM 214 SG CYS A 15 -13.453 -5.351 9.335 1.00 2.29 S ATOM 0 H CYS A 15 -9.568 -6.823 8.685 1.00 0.91 H new ATOM 0 HA CYS A 15 -12.099 -7.168 7.450 1.00 0.99 H new ATOM 0 HB2 CYS A 15 -11.742 -6.956 9.892 1.00 1.46 H new ATOM 0 HB3 CYS A 15 -11.068 -5.351 9.687 1.00 1.46 H new ATOM 0 HG CYS A 15 -13.760 -5.066 10.566 1.00 2.29 H new ATOM 220 N ALA A 16 -12.783 -4.990 6.327 1.00 0.67 N ATOM 221 CA ALA A 16 -13.209 -3.802 5.581 1.00 0.64 C ATOM 222 C ALA A 16 -12.633 -2.503 6.165 1.00 0.69 C ATOM 223 O ALA A 16 -12.101 -1.654 5.452 1.00 1.17 O ATOM 224 CB ALA A 16 -14.740 -3.741 5.579 1.00 0.81 C ATOM 0 H ALA A 16 -13.507 -5.708 6.355 1.00 0.67 H new ATOM 0 HA ALA A 16 -12.827 -3.888 4.564 1.00 0.64 H new ATOM 0 HB1 ALA A 16 -15.068 -2.861 5.027 1.00 0.81 H new ATOM 0 HB2 ALA A 16 -15.139 -4.637 5.104 1.00 0.81 H new ATOM 0 HB3 ALA A 16 -15.103 -3.682 6.605 1.00 0.81 H new ATOM 230 N SER A 17 -12.736 -2.370 7.486 1.00 0.61 N ATOM 231 CA SER A 17 -12.271 -1.228 8.261 1.00 0.69 C ATOM 232 C SER A 17 -10.765 -0.975 8.139 1.00 0.78 C ATOM 233 O SER A 17 -10.291 0.151 8.265 1.00 1.29 O ATOM 234 CB SER A 17 -12.601 -1.527 9.717 1.00 0.86 C ATOM 235 OG SER A 17 -11.878 -2.676 10.125 1.00 0.97 O ATOM 0 H SER A 17 -13.165 -3.089 8.068 1.00 0.61 H new ATOM 0 HA SER A 17 -12.762 -0.332 7.882 1.00 0.69 H new ATOM 0 HB2 SER A 17 -12.341 -0.675 10.345 1.00 0.86 H new ATOM 0 HB3 SER A 17 -13.672 -1.694 9.834 1.00 0.86 H new ATOM 0 HG SER A 17 -12.377 -3.482 9.876 1.00 0.97 H new ATOM 241 N CYS A 18 -9.971 -2.042 8.079 1.00 0.65 N ATOM 242 CA CYS A 18 -8.548 -1.977 7.804 1.00 0.68 C ATOM 243 C CYS A 18 -8.323 -1.717 6.329 1.00 0.71 C ATOM 244 O CYS A 18 -7.565 -0.819 5.976 1.00 0.90 O ATOM 245 CB CYS A 18 -7.834 -3.192 8.387 1.00 0.82 C ATOM 246 SG CYS A 18 -7.891 -2.980 10.189 1.00 1.49 S ATOM 0 H CYS A 18 -10.311 -2.993 8.224 1.00 0.65 H new ATOM 0 HA CYS A 18 -8.088 -1.130 8.312 1.00 0.68 H new ATOM 0 HB2 CYS A 18 -8.326 -4.117 8.086 1.00 0.82 H new ATOM 0 HB3 CYS A 18 -6.805 -3.249 8.032 1.00 0.82 H new ATOM 0 HG CYS A 18 -7.299 -3.985 10.763 1.00 1.49 H new ATOM 252 N VAL A 19 -9.034 -2.468 5.492 1.00 0.63 N ATOM 253 CA VAL A 19 -9.005 -2.334 4.049 1.00 0.67 C ATOM 254 C VAL A 19 -9.082 -0.857 3.627 1.00 0.70 C ATOM 255 O VAL A 19 -8.103 -0.294 3.134 1.00 0.78 O ATOM 256 CB VAL A 19 -10.094 -3.242 3.439 1.00 0.68 C ATOM 257 CG1 VAL A 19 -10.716 -2.735 2.135 1.00 0.88 C ATOM 258 CG2 VAL A 19 -9.583 -4.672 3.250 1.00 0.76 C ATOM 0 H VAL A 19 -9.662 -3.205 5.814 1.00 0.63 H new ATOM 0 HA VAL A 19 -8.051 -2.678 3.648 1.00 0.67 H new ATOM 0 HB VAL A 19 -10.898 -3.223 4.175 1.00 0.68 H new ATOM 0 HG11 VAL A 19 -11.468 -3.445 1.791 1.00 0.88 H new ATOM 0 HG12 VAL A 19 -11.184 -1.766 2.308 1.00 0.88 H new ATOM 0 HG13 VAL A 19 -9.939 -2.633 1.377 1.00 0.88 H new ATOM 0 HG21 VAL A 19 -10.373 -5.287 2.819 1.00 0.76 H new ATOM 0 HG22 VAL A 19 -8.722 -4.665 2.581 1.00 0.76 H new ATOM 0 HG23 VAL A 19 -9.289 -5.084 4.215 1.00 0.76 H new ATOM 268 N HIS A 20 -10.225 -0.205 3.862 1.00 0.65 N ATOM 269 CA HIS A 20 -10.426 1.151 3.361 1.00 0.74 C ATOM 270 C HIS A 20 -9.541 2.154 4.109 1.00 0.74 C ATOM 271 O HIS A 20 -9.172 3.192 3.559 1.00 0.75 O ATOM 272 CB HIS A 20 -11.912 1.543 3.349 1.00 0.79 C ATOM 273 CG HIS A 20 -12.489 2.029 4.656 1.00 0.71 C ATOM 274 ND1 HIS A 20 -13.357 3.087 4.808 1.00 1.01 N ATOM 275 CD2 HIS A 20 -12.257 1.513 5.901 1.00 0.75 C ATOM 276 CE1 HIS A 20 -13.634 3.200 6.119 1.00 0.92 C ATOM 277 NE2 HIS A 20 -12.984 2.263 6.828 1.00 0.77 N ATOM 0 H HIS A 20 -11.011 -0.589 4.387 1.00 0.65 H new ATOM 0 HA HIS A 20 -10.107 1.176 2.319 1.00 0.74 H new ATOM 0 HB2 HIS A 20 -12.053 2.324 2.602 1.00 0.79 H new ATOM 0 HB3 HIS A 20 -12.490 0.679 3.020 1.00 0.79 H new ATOM 0 HD2 HIS A 20 -11.621 0.670 6.128 1.00 0.75 H new ATOM 0 HE1 HIS A 20 -14.291 3.944 6.544 1.00 0.92 H new ATOM 0 HE2 HIS A 20 -13.015 2.127 7.838 1.00 0.77 H new ATOM 285 N LYS A 21 -9.189 1.843 5.362 1.00 0.77 N ATOM 286 CA LYS A 21 -8.285 2.663 6.146 1.00 0.77 C ATOM 287 C LYS A 21 -6.936 2.727 5.441 1.00 0.65 C ATOM 288 O LYS A 21 -6.470 3.826 5.187 1.00 0.72 O ATOM 289 CB LYS A 21 -8.199 2.152 7.589 1.00 0.96 C ATOM 290 CG LYS A 21 -7.153 2.884 8.436 1.00 0.86 C ATOM 291 CD LYS A 21 -7.269 2.546 9.933 1.00 1.52 C ATOM 292 CE LYS A 21 -7.144 1.043 10.242 1.00 2.85 C ATOM 293 NZ LYS A 21 -8.446 0.334 10.261 1.00 4.56 N ATOM 0 H LYS A 21 -9.527 1.015 5.852 1.00 0.77 H new ATOM 0 HA LYS A 21 -8.664 3.682 6.220 1.00 0.77 H new ATOM 0 HB2 LYS A 21 -9.176 2.257 8.062 1.00 0.96 H new ATOM 0 HB3 LYS A 21 -7.964 1.088 7.576 1.00 0.96 H new ATOM 0 HG2 LYS A 21 -6.156 2.622 8.083 1.00 0.86 H new ATOM 0 HG3 LYS A 21 -7.267 3.959 8.299 1.00 0.86 H new ATOM 0 HD2 LYS A 21 -6.495 3.085 10.479 1.00 1.52 H new ATOM 0 HD3 LYS A 21 -8.229 2.905 10.304 1.00 1.52 H new ATOM 0 HE2 LYS A 21 -6.497 0.579 9.497 1.00 2.85 H new ATOM 0 HE3 LYS A 21 -6.657 0.918 11.209 1.00 2.85 H new ATOM 0 HZ1 LYS A 21 -8.282 -0.691 10.322 1.00 4.56 H new ATOM 0 HZ2 LYS A 21 -8.999 0.646 11.085 1.00 4.56 H new ATOM 0 HZ3 LYS A 21 -8.971 0.549 9.390 1.00 4.56 H new ATOM 307 N ILE A 22 -6.321 1.591 5.095 1.00 0.58 N ATOM 308 CA ILE A 22 -5.084 1.582 4.313 1.00 0.57 C ATOM 309 C ILE A 22 -5.251 2.450 3.068 1.00 0.56 C ATOM 310 O ILE A 22 -4.469 3.377 2.865 1.00 0.56 O ATOM 311 CB ILE A 22 -4.665 0.140 3.978 1.00 0.63 C ATOM 312 CG1 ILE A 22 -4.224 -0.561 5.272 1.00 0.64 C ATOM 313 CG2 ILE A 22 -3.537 0.086 2.933 1.00 0.71 C ATOM 314 CD1 ILE A 22 -3.593 -1.923 5.008 1.00 0.66 C ATOM 0 H ILE A 22 -6.663 0.663 5.346 1.00 0.58 H new ATOM 0 HA ILE A 22 -4.275 2.012 4.904 1.00 0.57 H new ATOM 0 HB ILE A 22 -5.523 -0.371 3.541 1.00 0.63 H new ATOM 0 HG12 ILE A 22 -3.510 0.071 5.799 1.00 0.64 H new ATOM 0 HG13 ILE A 22 -5.086 -0.684 5.928 1.00 0.64 H new ATOM 0 HG21 ILE A 22 -3.278 -0.953 2.731 1.00 0.71 H new ATOM 0 HG22 ILE A 22 -3.872 0.562 2.011 1.00 0.71 H new ATOM 0 HG23 ILE A 22 -2.661 0.611 3.315 1.00 0.71 H new ATOM 0 HD11 ILE A 22 -3.299 -2.377 5.954 1.00 0.66 H new ATOM 0 HD12 ILE A 22 -4.315 -2.567 4.505 1.00 0.66 H new ATOM 0 HD13 ILE A 22 -2.714 -1.800 4.375 1.00 0.66 H new ATOM 326 N GLU A 23 -6.262 2.170 2.247 1.00 0.62 N ATOM 327 CA GLU A 23 -6.466 2.905 1.007 1.00 0.64 C ATOM 328 C GLU A 23 -6.472 4.416 1.279 1.00 0.51 C ATOM 329 O GLU A 23 -5.592 5.138 0.808 1.00 0.60 O ATOM 330 CB GLU A 23 -7.722 2.377 0.302 1.00 0.78 C ATOM 331 CG GLU A 23 -7.496 0.899 -0.064 1.00 1.22 C ATOM 332 CD GLU A 23 -8.704 0.216 -0.695 1.00 2.00 C ATOM 333 OE1 GLU A 23 -9.826 0.725 -0.487 1.00 2.45 O ATOM 334 OE2 GLU A 23 -8.477 -0.823 -1.360 1.00 3.16 O ATOM 0 H GLU A 23 -6.951 1.438 2.421 1.00 0.62 H new ATOM 0 HA GLU A 23 -5.638 2.741 0.317 1.00 0.64 H new ATOM 0 HB2 GLU A 23 -8.591 2.477 0.952 1.00 0.78 H new ATOM 0 HB3 GLU A 23 -7.926 2.962 -0.595 1.00 0.78 H new ATOM 0 HG2 GLU A 23 -6.655 0.832 -0.754 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -7.214 0.353 0.836 1.00 1.22 H new ATOM 341 N SER A 24 -7.396 4.871 2.126 1.00 0.48 N ATOM 342 CA SER A 24 -7.495 6.266 2.537 1.00 0.53 C ATOM 343 C SER A 24 -6.164 6.792 3.098 1.00 0.56 C ATOM 344 O SER A 24 -5.763 7.918 2.804 1.00 0.74 O ATOM 345 CB SER A 24 -8.622 6.405 3.570 1.00 0.63 C ATOM 346 OG SER A 24 -8.934 7.765 3.803 1.00 1.07 O ATOM 0 H SER A 24 -8.104 4.271 2.549 1.00 0.48 H new ATOM 0 HA SER A 24 -7.726 6.873 1.662 1.00 0.53 H new ATOM 0 HB2 SER A 24 -9.510 5.880 3.217 1.00 0.63 H new ATOM 0 HB3 SER A 24 -8.323 5.932 4.505 1.00 0.63 H new ATOM 0 HG SER A 24 -9.656 7.827 4.463 1.00 1.07 H new ATOM 352 N SER A 25 -5.495 5.993 3.933 1.00 0.49 N ATOM 353 CA SER A 25 -4.266 6.362 4.607 1.00 0.56 C ATOM 354 C SER A 25 -3.206 6.684 3.570 1.00 0.60 C ATOM 355 O SER A 25 -2.573 7.729 3.670 1.00 0.82 O ATOM 356 CB SER A 25 -3.794 5.243 5.554 1.00 0.70 C ATOM 357 OG SER A 25 -4.535 5.250 6.762 1.00 2.24 O ATOM 0 H SER A 25 -5.808 5.049 4.159 1.00 0.49 H new ATOM 0 HA SER A 25 -4.446 7.245 5.220 1.00 0.56 H new ATOM 0 HB2 SER A 25 -3.903 4.276 5.062 1.00 0.70 H new ATOM 0 HB3 SER A 25 -2.734 5.371 5.773 1.00 0.70 H new ATOM 0 HG SER A 25 -5.384 4.779 6.628 1.00 2.24 H new ATOM 363 N LEU A 26 -2.992 5.807 2.590 1.00 0.53 N ATOM 364 CA LEU A 26 -1.998 6.085 1.569 1.00 0.55 C ATOM 365 C LEU A 26 -2.446 7.195 0.617 1.00 0.55 C ATOM 366 O LEU A 26 -1.630 8.020 0.219 1.00 0.64 O ATOM 367 CB LEU A 26 -1.543 4.831 0.833 1.00 0.59 C ATOM 368 CG LEU A 26 -0.719 3.834 1.657 1.00 0.63 C ATOM 369 CD1 LEU A 26 0.395 4.480 2.486 1.00 2.24 C ATOM 370 CD2 LEU A 26 -1.568 2.939 2.550 1.00 2.14 C ATOM 0 H LEU A 26 -3.484 4.919 2.486 1.00 0.53 H new ATOM 0 HA LEU A 26 -1.117 6.460 2.091 1.00 0.55 H new ATOM 0 HB2 LEU A 26 -2.425 4.316 0.452 1.00 0.59 H new ATOM 0 HB3 LEU A 26 -0.952 5.134 -0.031 1.00 0.59 H new ATOM 0 HG LEU A 26 -0.246 3.211 0.898 1.00 0.63 H new ATOM 0 HD11 LEU A 26 0.931 3.709 3.039 1.00 2.24 H new ATOM 0 HD12 LEU A 26 1.088 4.998 1.823 1.00 2.24 H new ATOM 0 HD13 LEU A 26 -0.040 5.193 3.186 1.00 2.24 H new ATOM 0 HD21 LEU A 26 -0.921 2.259 3.104 1.00 2.14 H new ATOM 0 HD22 LEU A 26 -2.132 3.554 3.251 1.00 2.14 H new ATOM 0 HD23 LEU A 26 -2.259 2.362 1.935 1.00 2.14 H new ATOM 382 N THR A 27 -3.730 7.269 0.259 1.00 0.51 N ATOM 383 CA THR A 27 -4.224 8.332 -0.612 1.00 0.57 C ATOM 384 C THR A 27 -3.875 9.746 -0.112 1.00 0.70 C ATOM 385 O THR A 27 -3.801 10.668 -0.921 1.00 1.30 O ATOM 386 CB THR A 27 -5.731 8.134 -0.825 1.00 0.62 C ATOM 387 OG1 THR A 27 -5.953 6.867 -1.407 1.00 1.34 O ATOM 388 CG2 THR A 27 -6.366 9.185 -1.741 1.00 1.49 C ATOM 0 H THR A 27 -4.444 6.605 0.560 1.00 0.51 H new ATOM 0 HA THR A 27 -3.713 8.257 -1.572 1.00 0.57 H new ATOM 0 HB THR A 27 -6.194 8.227 0.158 1.00 0.62 H new ATOM 0 HG1 THR A 27 -5.899 6.175 -0.715 1.00 1.34 H new ATOM 0 HG21 THR A 27 -7.432 8.981 -1.845 1.00 1.49 H new ATOM 0 HG22 THR A 27 -6.227 10.176 -1.309 1.00 1.49 H new ATOM 0 HG23 THR A 27 -5.892 9.147 -2.722 1.00 1.49 H new ATOM 396 N LYS A 28 -3.632 9.950 1.190 1.00 0.69 N ATOM 397 CA LYS A 28 -3.187 11.258 1.669 1.00 0.68 C ATOM 398 C LYS A 28 -1.851 11.689 1.029 1.00 0.65 C ATOM 399 O LYS A 28 -1.610 12.891 0.914 1.00 0.77 O ATOM 400 CB LYS A 28 -3.127 11.308 3.212 1.00 0.77 C ATOM 401 CG LYS A 28 -1.805 10.722 3.715 1.00 2.43 C ATOM 402 CD LYS A 28 -1.732 10.387 5.209 1.00 3.62 C ATOM 403 CE LYS A 28 -0.432 9.587 5.424 1.00 5.09 C ATOM 404 NZ LYS A 28 -0.159 9.259 6.836 1.00 6.52 N ATOM 0 H LYS A 28 -3.734 9.239 1.915 1.00 0.69 H new ATOM 0 HA LYS A 28 -3.935 11.984 1.350 1.00 0.68 H new ATOM 0 HB2 LYS A 28 -3.228 12.338 3.553 1.00 0.77 H new ATOM 0 HB3 LYS A 28 -3.963 10.749 3.633 1.00 0.77 H new ATOM 0 HG2 LYS A 28 -1.598 9.813 3.151 1.00 2.43 H new ATOM 0 HG3 LYS A 28 -1.008 11.429 3.484 1.00 2.43 H new ATOM 0 HD2 LYS A 28 -1.730 11.297 5.809 1.00 3.62 H new ATOM 0 HD3 LYS A 28 -2.600 9.804 5.517 1.00 3.62 H new ATOM 0 HE2 LYS A 28 -0.487 8.662 4.850 1.00 5.09 H new ATOM 0 HE3 LYS A 28 0.406 10.160 5.026 1.00 5.09 H new ATOM 0 HZ1 LYS A 28 0.729 8.722 6.902 1.00 6.52 H new ATOM 0 HZ2 LYS A 28 -0.074 10.137 7.386 1.00 6.52 H new ATOM 0 HZ3 LYS A 28 -0.939 8.686 7.216 1.00 6.52 H new ATOM 418 N HIS A 29 -0.958 10.742 0.690 1.00 0.64 N ATOM 419 CA HIS A 29 0.373 11.060 0.170 1.00 0.75 C ATOM 420 C HIS A 29 0.234 11.629 -1.245 1.00 0.93 C ATOM 421 O HIS A 29 -0.677 11.252 -1.978 1.00 2.25 O ATOM 422 CB HIS A 29 1.291 9.822 0.148 1.00 0.83 C ATOM 423 CG HIS A 29 1.576 9.152 1.474 1.00 0.62 C ATOM 424 ND1 HIS A 29 2.810 8.741 1.930 1.00 1.31 N ATOM 425 CD2 HIS A 29 0.653 8.531 2.268 1.00 0.74 C ATOM 426 CE1 HIS A 29 2.614 7.898 2.956 1.00 1.05 C ATOM 427 NE2 HIS A 29 1.308 7.748 3.213 1.00 0.69 N ATOM 0 H HIS A 29 -1.142 9.742 0.770 1.00 0.64 H new ATOM 0 HA HIS A 29 0.831 11.796 0.831 1.00 0.75 H new ATOM 0 HB2 HIS A 29 0.845 9.082 -0.516 1.00 0.83 H new ATOM 0 HB3 HIS A 29 2.243 10.115 -0.295 1.00 0.83 H new ATOM 0 HD1 HIS A 29 3.714 9.027 1.554 1.00 1.31 H new ATOM 0 HD2 HIS A 29 -0.418 8.632 2.176 1.00 0.74 H new ATOM 0 HE1 HIS A 29 3.405 7.406 3.502 1.00 1.05 H new ATOM 435 N ARG A 30 1.133 12.533 -1.647 1.00 1.40 N ATOM 436 CA ARG A 30 1.007 13.272 -2.902 1.00 1.43 C ATOM 437 C ARG A 30 1.974 12.757 -3.966 1.00 1.35 C ATOM 438 O ARG A 30 2.492 13.535 -4.762 1.00 1.97 O ATOM 439 CB ARG A 30 1.177 14.779 -2.647 1.00 1.68 C ATOM 440 CG ARG A 30 0.325 15.302 -1.481 1.00 2.55 C ATOM 441 CD ARG A 30 -1.178 15.053 -1.674 1.00 2.77 C ATOM 442 NE ARG A 30 -1.904 15.234 -0.411 1.00 4.29 N ATOM 443 CZ ARG A 30 -2.422 16.374 0.062 1.00 5.05 C ATOM 444 NH1 ARG A 30 -2.270 17.513 -0.622 1.00 4.54 N ATOM 445 NH2 ARG A 30 -3.084 16.364 1.225 1.00 6.73 N ATOM 0 H ARG A 30 1.967 12.771 -1.110 1.00 1.40 H new ATOM 0 HA ARG A 30 0.005 13.106 -3.298 1.00 1.43 H new ATOM 0 HB2 ARG A 30 2.227 14.989 -2.442 1.00 1.68 H new ATOM 0 HB3 ARG A 30 0.913 15.325 -3.553 1.00 1.68 H new ATOM 0 HG2 ARG A 30 0.651 14.823 -0.558 1.00 2.55 H new ATOM 0 HG3 ARG A 30 0.498 16.372 -1.364 1.00 2.55 H new ATOM 0 HD2 ARG A 30 -1.571 15.738 -2.426 1.00 2.77 H new ATOM 0 HD3 ARG A 30 -1.338 14.042 -2.049 1.00 2.77 H new ATOM 0 HE ARG A 30 -2.027 14.403 0.167 1.00 4.29 H new ATOM 0 HH11 ARG A 30 -1.759 17.513 -1.505 1.00 4.54 H new ATOM 0 HH12 ARG A 30 -2.665 18.381 -0.261 1.00 4.54 H new ATOM 0 HH21 ARG A 30 -3.191 15.492 1.744 1.00 6.73 H new ATOM 0 HH22 ARG A 30 -3.482 17.228 1.593 1.00 6.73 H new ATOM 459 N GLY A 31 2.178 11.439 -4.007 1.00 0.90 N ATOM 460 CA GLY A 31 2.907 10.798 -5.092 1.00 0.97 C ATOM 461 C GLY A 31 2.510 9.332 -5.265 1.00 0.84 C ATOM 462 O GLY A 31 3.270 8.534 -5.813 1.00 1.04 O ATOM 0 H GLY A 31 1.843 10.793 -3.292 1.00 0.90 H new ATOM 0 HA2 GLY A 31 2.720 11.336 -6.021 1.00 0.97 H new ATOM 0 HA3 GLY A 31 3.977 10.863 -4.897 1.00 0.97 H new ATOM 466 N ILE A 32 1.295 8.997 -4.824 1.00 0.83 N ATOM 467 CA ILE A 32 0.627 7.741 -5.101 1.00 0.75 C ATOM 468 C ILE A 32 -0.582 8.086 -5.960 1.00 0.67 C ATOM 469 O ILE A 32 -1.282 9.057 -5.684 1.00 0.85 O ATOM 470 CB ILE A 32 0.265 7.014 -3.796 1.00 0.82 C ATOM 471 CG1 ILE A 32 -0.496 5.715 -4.103 1.00 1.98 C ATOM 472 CG2 ILE A 32 -0.540 7.884 -2.827 1.00 1.91 C ATOM 473 CD1 ILE A 32 -0.642 4.828 -2.869 1.00 2.63 C ATOM 0 H ILE A 32 0.736 9.622 -4.243 1.00 0.83 H new ATOM 0 HA ILE A 32 1.268 7.042 -5.638 1.00 0.75 H new ATOM 0 HB ILE A 32 1.206 6.780 -3.298 1.00 0.82 H new ATOM 0 HG12 ILE A 32 -1.484 5.958 -4.493 1.00 1.98 H new ATOM 0 HG13 ILE A 32 0.028 5.165 -4.884 1.00 1.98 H new ATOM 0 HG21 ILE A 32 -0.764 7.313 -1.926 1.00 1.91 H new ATOM 0 HG22 ILE A 32 0.041 8.767 -2.562 1.00 1.91 H new ATOM 0 HG23 ILE A 32 -1.471 8.192 -3.302 1.00 1.91 H new ATOM 0 HD11 ILE A 32 -1.186 3.922 -3.135 1.00 2.63 H new ATOM 0 HD12 ILE A 32 0.346 4.561 -2.494 1.00 2.63 H new ATOM 0 HD13 ILE A 32 -1.190 5.367 -2.096 1.00 2.63 H new ATOM 485 N LEU A 33 -0.783 7.319 -7.026 1.00 0.56 N ATOM 486 CA LEU A 33 -1.855 7.507 -7.984 1.00 0.60 C ATOM 487 C LEU A 33 -3.041 6.648 -7.577 1.00 0.54 C ATOM 488 O LEU A 33 -4.181 7.097 -7.675 1.00 0.63 O ATOM 489 CB LEU A 33 -1.353 7.156 -9.391 1.00 0.77 C ATOM 490 CG LEU A 33 -0.085 7.936 -9.784 1.00 0.90 C ATOM 491 CD1 LEU A 33 0.416 7.432 -11.137 1.00 1.62 C ATOM 492 CD2 LEU A 33 -0.339 9.447 -9.860 1.00 1.24 C ATOM 0 H LEU A 33 -0.183 6.525 -7.250 1.00 0.56 H new ATOM 0 HA LEU A 33 -2.178 8.548 -7.997 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -1.147 6.087 -9.442 1.00 0.77 H new ATOM 0 HB3 LEU A 33 -2.141 7.364 -10.115 1.00 0.77 H new ATOM 0 HG LEU A 33 0.666 7.767 -9.012 1.00 0.90 H new ATOM 0 HD11 LEU A 33 1.314 7.981 -11.420 1.00 1.62 H new ATOM 0 HD12 LEU A 33 0.648 6.369 -11.066 1.00 1.62 H new ATOM 0 HD13 LEU A 33 -0.356 7.586 -11.891 1.00 1.62 H new ATOM 0 HD21 LEU A 33 0.583 9.957 -10.140 1.00 1.24 H new ATOM 0 HD22 LEU A 33 -1.107 9.650 -10.606 1.00 1.24 H new ATOM 0 HD23 LEU A 33 -0.673 9.809 -8.888 1.00 1.24 H new ATOM 504 N TYR A 34 -2.789 5.421 -7.113 1.00 0.49 N ATOM 505 CA TYR A 34 -3.858 4.557 -6.672 1.00 0.54 C ATOM 506 C TYR A 34 -3.330 3.534 -5.675 1.00 0.48 C ATOM 507 O TYR A 34 -2.271 2.957 -5.902 1.00 0.67 O ATOM 508 CB TYR A 34 -4.483 3.883 -7.897 1.00 0.75 C ATOM 509 CG TYR A 34 -5.807 3.248 -7.587 1.00 0.95 C ATOM 510 CD1 TYR A 34 -6.861 4.061 -7.144 1.00 2.01 C ATOM 511 CD2 TYR A 34 -5.957 1.853 -7.631 1.00 1.90 C ATOM 512 CE1 TYR A 34 -8.040 3.477 -6.667 1.00 2.19 C ATOM 513 CE2 TYR A 34 -7.172 1.275 -7.241 1.00 2.06 C ATOM 514 CZ TYR A 34 -8.202 2.080 -6.722 1.00 1.54 C ATOM 515 OH TYR A 34 -9.358 1.503 -6.294 1.00 1.85 O ATOM 0 H TYR A 34 -1.856 5.016 -7.038 1.00 0.49 H new ATOM 0 HA TYR A 34 -4.627 5.138 -6.162 1.00 0.54 H new ATOM 0 HB2 TYR A 34 -4.614 4.622 -8.688 1.00 0.75 H new ATOM 0 HB3 TYR A 34 -3.800 3.124 -8.279 1.00 0.75 H new ATOM 0 HD1 TYR A 34 -6.763 5.136 -7.171 1.00 2.01 H new ATOM 0 HD2 TYR A 34 -5.141 1.229 -7.964 1.00 1.90 H new ATOM 0 HE1 TYR A 34 -8.824 4.097 -6.258 1.00 2.19 H new ATOM 0 HE2 TYR A 34 -7.318 0.209 -7.339 1.00 2.06 H new ATOM 0 HH TYR A 34 -9.299 0.531 -6.405 1.00 1.85 H new ATOM 525 N CYS A 35 -4.082 3.305 -4.598 1.00 0.77 N ATOM 526 CA CYS A 35 -3.948 2.174 -3.699 1.00 0.60 C ATOM 527 C CYS A 35 -5.242 1.409 -3.879 1.00 0.63 C ATOM 528 O CYS A 35 -6.305 2.030 -3.846 1.00 1.19 O ATOM 529 CB CYS A 35 -3.830 2.645 -2.249 1.00 0.79 C ATOM 530 SG CYS A 35 -3.677 1.166 -1.219 1.00 2.21 S ATOM 0 H CYS A 35 -4.834 3.936 -4.322 1.00 0.77 H new ATOM 0 HA CYS A 35 -3.060 1.580 -3.913 1.00 0.60 H new ATOM 0 HB2 CYS A 35 -2.962 3.293 -2.124 1.00 0.79 H new ATOM 0 HB3 CYS A 35 -4.706 3.226 -1.960 1.00 0.79 H new ATOM 0 HG CYS A 35 -3.571 1.515 0.029 1.00 2.21 H new ATOM 536 N SER A 36 -5.182 0.091 -4.058 1.00 0.57 N ATOM 537 CA SER A 36 -6.257 -0.718 -3.519 1.00 1.01 C ATOM 538 C SER A 36 -5.671 -1.964 -2.888 1.00 0.69 C ATOM 539 O SER A 36 -4.723 -2.543 -3.425 1.00 0.71 O ATOM 540 CB SER A 36 -7.372 -1.014 -4.521 1.00 1.70 C ATOM 541 OG SER A 36 -8.405 -1.738 -3.876 1.00 2.84 O ATOM 0 H SER A 36 -4.441 -0.413 -4.545 1.00 0.57 H new ATOM 0 HA SER A 36 -6.762 -0.138 -2.746 1.00 1.01 H new ATOM 0 HB2 SER A 36 -7.766 -0.083 -4.929 1.00 1.70 H new ATOM 0 HB3 SER A 36 -6.979 -1.589 -5.360 1.00 1.70 H new ATOM 0 HG SER A 36 -8.652 -1.284 -3.043 1.00 2.84 H new ATOM 547 N VAL A 37 -6.210 -2.326 -1.724 1.00 0.63 N ATOM 548 CA VAL A 37 -5.715 -3.425 -0.916 1.00 0.55 C ATOM 549 C VAL A 37 -6.659 -4.627 -1.009 1.00 0.57 C ATOM 550 O VAL A 37 -7.667 -4.735 -0.311 1.00 0.77 O ATOM 551 CB VAL A 37 -5.297 -2.924 0.476 1.00 0.77 C ATOM 552 CG1 VAL A 37 -6.457 -2.592 1.412 1.00 1.08 C ATOM 553 CG2 VAL A 37 -4.342 -3.918 1.131 1.00 2.08 C ATOM 0 H VAL A 37 -7.015 -1.852 -1.315 1.00 0.63 H new ATOM 0 HA VAL A 37 -4.782 -3.831 -1.308 1.00 0.55 H new ATOM 0 HB VAL A 37 -4.790 -1.974 0.305 1.00 0.77 H new ATOM 0 HG11 VAL A 37 -6.065 -2.247 2.369 1.00 1.08 H new ATOM 0 HG12 VAL A 37 -7.070 -1.808 0.967 1.00 1.08 H new ATOM 0 HG13 VAL A 37 -7.065 -3.483 1.569 1.00 1.08 H new ATOM 0 HG21 VAL A 37 -4.054 -3.551 2.116 1.00 2.08 H new ATOM 0 HG22 VAL A 37 -4.837 -4.884 1.234 1.00 2.08 H new ATOM 0 HG23 VAL A 37 -3.452 -4.030 0.511 1.00 2.08 H new ATOM 563 N ALA A 38 -6.342 -5.541 -1.930 1.00 0.51 N ATOM 564 CA ALA A 38 -7.233 -6.608 -2.316 1.00 0.57 C ATOM 565 C ALA A 38 -7.089 -7.744 -1.313 1.00 0.58 C ATOM 566 O ALA A 38 -6.292 -8.657 -1.520 1.00 0.62 O ATOM 567 CB ALA A 38 -6.912 -7.037 -3.748 1.00 0.68 C ATOM 0 H ALA A 38 -5.450 -5.550 -2.425 1.00 0.51 H new ATOM 0 HA ALA A 38 -8.274 -6.284 -2.305 1.00 0.57 H new ATOM 0 HB1 ALA A 38 -7.582 -7.843 -4.045 1.00 0.68 H new ATOM 0 HB2 ALA A 38 -7.044 -6.189 -4.420 1.00 0.68 H new ATOM 0 HB3 ALA A 38 -5.880 -7.385 -3.801 1.00 0.68 H new ATOM 573 N LEU A 39 -7.886 -7.678 -0.242 1.00 0.59 N ATOM 574 CA LEU A 39 -8.071 -8.705 0.784 1.00 0.66 C ATOM 575 C LEU A 39 -7.889 -10.120 0.220 1.00 0.60 C ATOM 576 O LEU A 39 -7.116 -10.911 0.755 1.00 0.58 O ATOM 577 CB LEU A 39 -9.474 -8.526 1.395 1.00 0.95 C ATOM 578 CG LEU A 39 -9.660 -9.074 2.821 1.00 0.97 C ATOM 579 CD1 LEU A 39 -11.131 -8.888 3.216 1.00 1.95 C ATOM 580 CD2 LEU A 39 -9.293 -10.552 2.988 1.00 1.72 C ATOM 0 H LEU A 39 -8.455 -6.852 -0.058 1.00 0.59 H new ATOM 0 HA LEU A 39 -7.309 -8.585 1.554 1.00 0.66 H new ATOM 0 HB2 LEU A 39 -9.714 -7.463 1.401 1.00 0.95 H new ATOM 0 HB3 LEU A 39 -10.199 -9.013 0.742 1.00 0.95 H new ATOM 0 HG LEU A 39 -8.976 -8.517 3.461 1.00 0.97 H new ATOM 0 HD11 LEU A 39 -11.288 -9.270 4.225 1.00 1.95 H new ATOM 0 HD12 LEU A 39 -11.385 -7.828 3.185 1.00 1.95 H new ATOM 0 HD13 LEU A 39 -11.767 -9.434 2.519 1.00 1.95 H new ATOM 0 HD21 LEU A 39 -9.455 -10.852 4.023 1.00 1.72 H new ATOM 0 HD22 LEU A 39 -9.918 -11.158 2.332 1.00 1.72 H new ATOM 0 HD23 LEU A 39 -8.245 -10.698 2.727 1.00 1.72 H new ATOM 592 N ALA A 40 -8.567 -10.422 -0.893 1.00 0.67 N ATOM 593 CA ALA A 40 -8.590 -11.748 -1.506 1.00 0.73 C ATOM 594 C ALA A 40 -7.187 -12.298 -1.781 1.00 0.70 C ATOM 595 O ALA A 40 -6.974 -13.506 -1.737 1.00 0.79 O ATOM 596 CB ALA A 40 -9.389 -11.684 -2.810 1.00 0.84 C ATOM 0 H ALA A 40 -9.125 -9.735 -1.400 1.00 0.67 H new ATOM 0 HA ALA A 40 -9.063 -12.430 -0.799 1.00 0.73 H new ATOM 0 HB1 ALA A 40 -9.410 -12.671 -3.273 1.00 0.84 H new ATOM 0 HB2 ALA A 40 -10.408 -11.361 -2.597 1.00 0.84 H new ATOM 0 HB3 ALA A 40 -8.919 -10.974 -3.490 1.00 0.84 H new ATOM 602 N THR A 41 -6.245 -11.407 -2.089 1.00 0.62 N ATOM 603 CA THR A 41 -4.853 -11.711 -2.386 1.00 0.61 C ATOM 604 C THR A 41 -3.931 -11.024 -1.368 1.00 0.55 C ATOM 605 O THR A 41 -2.733 -10.904 -1.623 1.00 0.65 O ATOM 606 CB THR A 41 -4.578 -11.277 -3.838 1.00 0.68 C ATOM 607 OG1 THR A 41 -3.228 -11.463 -4.216 1.00 1.40 O ATOM 608 CG2 THR A 41 -4.986 -9.833 -4.123 1.00 1.29 C ATOM 0 H THR A 41 -6.445 -10.408 -2.140 1.00 0.62 H new ATOM 0 HA THR A 41 -4.651 -12.779 -2.300 1.00 0.61 H new ATOM 0 HB THR A 41 -5.206 -11.933 -4.441 1.00 0.68 H new ATOM 0 HG1 THR A 41 -2.647 -11.310 -3.441 1.00 1.40 H new ATOM 0 HG21 THR A 41 -4.766 -9.591 -5.163 1.00 1.29 H new ATOM 0 HG22 THR A 41 -6.054 -9.714 -3.941 1.00 1.29 H new ATOM 0 HG23 THR A 41 -4.430 -9.162 -3.469 1.00 1.29 H new ATOM 616 N ASN A 42 -4.500 -10.559 -0.249 1.00 0.51 N ATOM 617 CA ASN A 42 -3.946 -9.658 0.756 1.00 0.53 C ATOM 618 C ASN A 42 -2.711 -8.877 0.300 1.00 0.44 C ATOM 619 O ASN A 42 -1.641 -8.964 0.903 1.00 0.49 O ATOM 620 CB ASN A 42 -3.750 -10.402 2.085 1.00 0.79 C ATOM 621 CG ASN A 42 -3.903 -9.452 3.267 1.00 1.39 C ATOM 622 OD1 ASN A 42 -3.723 -8.246 3.140 1.00 3.31 O ATOM 623 ND2 ASN A 42 -4.330 -9.975 4.412 1.00 1.04 N ATOM 0 H ASN A 42 -5.452 -10.834 -0.006 1.00 0.51 H new ATOM 0 HA ASN A 42 -4.683 -8.871 0.917 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -4.478 -11.209 2.165 1.00 0.79 H new ATOM 0 HB3 ASN A 42 -2.761 -10.861 2.107 1.00 0.79 H new ATOM 0 HD21 ASN A 42 -4.516 -9.369 5.211 1.00 1.04 H new ATOM 0 HD22 ASN A 42 -4.472 -10.982 4.491 1.00 1.04 H new ATOM 630 N LYS A 43 -2.871 -8.096 -0.773 1.00 0.45 N ATOM 631 CA LYS A 43 -1.821 -7.258 -1.329 1.00 0.44 C ATOM 632 C LYS A 43 -2.375 -5.856 -1.525 1.00 0.38 C ATOM 633 O LYS A 43 -3.564 -5.710 -1.806 1.00 0.41 O ATOM 634 CB LYS A 43 -1.224 -7.895 -2.607 1.00 0.62 C ATOM 635 CG LYS A 43 -1.033 -7.001 -3.841 1.00 0.57 C ATOM 636 CD LYS A 43 -2.325 -6.778 -4.653 1.00 0.66 C ATOM 637 CE LYS A 43 -2.671 -7.923 -5.616 1.00 0.68 C ATOM 638 NZ LYS A 43 -1.768 -8.022 -6.778 1.00 0.99 N ATOM 0 H LYS A 43 -3.752 -8.032 -1.283 1.00 0.45 H new ATOM 0 HA LYS A 43 -0.979 -7.179 -0.641 1.00 0.44 H new ATOM 0 HB2 LYS A 43 -0.253 -8.316 -2.347 1.00 0.62 H new ATOM 0 HB3 LYS A 43 -1.865 -8.728 -2.895 1.00 0.62 H new ATOM 0 HG2 LYS A 43 -0.644 -6.034 -3.521 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -0.280 -7.449 -4.490 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -3.155 -6.637 -3.961 1.00 0.66 H new ATOM 0 HD3 LYS A 43 -2.226 -5.855 -5.225 1.00 0.66 H new ATOM 0 HE2 LYS A 43 -2.646 -8.865 -5.068 1.00 0.68 H new ATOM 0 HE3 LYS A 43 -3.692 -7.788 -5.973 1.00 0.68 H new ATOM 0 HZ1 LYS A 43 -2.054 -8.826 -7.372 1.00 0.99 H new ATOM 0 HZ2 LYS A 43 -1.821 -7.145 -7.334 1.00 0.99 H new ATOM 0 HZ3 LYS A 43 -0.792 -8.165 -6.448 1.00 0.99 H new ATOM 652 N ALA A 44 -1.508 -4.850 -1.395 1.00 0.38 N ATOM 653 CA ALA A 44 -1.803 -3.477 -1.752 1.00 0.37 C ATOM 654 C ALA A 44 -1.194 -3.285 -3.120 1.00 0.37 C ATOM 655 O ALA A 44 0.026 -3.337 -3.246 1.00 0.40 O ATOM 656 CB ALA A 44 -1.240 -2.490 -0.725 1.00 0.43 C ATOM 0 H ALA A 44 -0.564 -4.978 -1.030 1.00 0.38 H new ATOM 0 HA ALA A 44 -2.876 -3.283 -1.764 1.00 0.37 H new ATOM 0 HB1 ALA A 44 -1.482 -1.471 -1.028 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -1.679 -2.692 0.252 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -0.157 -2.604 -0.667 1.00 0.43 H new ATOM 662 N HIS A 45 -2.045 -3.120 -4.131 1.00 0.39 N ATOM 663 CA HIS A 45 -1.642 -2.663 -5.439 1.00 0.39 C ATOM 664 C HIS A 45 -1.492 -1.160 -5.344 1.00 0.38 C ATOM 665 O HIS A 45 -2.450 -0.475 -4.986 1.00 0.72 O ATOM 666 CB HIS A 45 -2.701 -3.046 -6.468 1.00 0.50 C ATOM 667 CG HIS A 45 -2.260 -2.707 -7.857 1.00 0.56 C ATOM 668 ND1 HIS A 45 -1.618 -3.556 -8.723 1.00 0.75 N ATOM 669 CD2 HIS A 45 -2.249 -1.454 -8.400 1.00 0.68 C ATOM 670 CE1 HIS A 45 -1.279 -2.837 -9.804 1.00 0.78 C ATOM 671 NE2 HIS A 45 -1.638 -1.548 -9.655 1.00 0.74 N ATOM 0 H HIS A 45 -3.045 -3.305 -4.053 1.00 0.39 H new ATOM 0 HA HIS A 45 -0.704 -3.119 -5.755 1.00 0.39 H new ATOM 0 HB2 HIS A 45 -2.907 -4.114 -6.400 1.00 0.50 H new ATOM 0 HB3 HIS A 45 -3.633 -2.527 -6.244 1.00 0.50 H new ATOM 0 HD1 HIS A 45 -1.433 -4.548 -8.573 1.00 0.75 H new ATOM 0 HD2 HIS A 45 -2.640 -0.556 -7.945 1.00 0.68 H new ATOM 0 HE1 HIS A 45 -0.785 -3.238 -10.676 1.00 0.78 H new ATOM 679 N ILE A 46 -0.284 -0.679 -5.631 1.00 0.55 N ATOM 680 CA ILE A 46 0.117 0.693 -5.434 1.00 0.54 C ATOM 681 C ILE A 46 0.650 1.218 -6.757 1.00 0.54 C ATOM 682 O ILE A 46 1.809 1.010 -7.108 1.00 0.93 O ATOM 683 CB ILE A 46 1.117 0.748 -4.275 1.00 0.74 C ATOM 684 CG1 ILE A 46 0.327 0.364 -3.013 1.00 0.91 C ATOM 685 CG2 ILE A 46 1.780 2.126 -4.157 1.00 0.98 C ATOM 686 CD1 ILE A 46 1.101 0.664 -1.745 1.00 1.05 C ATOM 0 H ILE A 46 0.459 -1.260 -6.019 1.00 0.55 H new ATOM 0 HA ILE A 46 -0.710 1.342 -5.149 1.00 0.54 H new ATOM 0 HB ILE A 46 1.945 0.057 -4.434 1.00 0.74 H new ATOM 0 HG12 ILE A 46 -0.618 0.907 -2.998 1.00 0.91 H new ATOM 0 HG13 ILE A 46 0.084 -0.698 -3.047 1.00 0.91 H new ATOM 0 HG21 ILE A 46 2.482 2.122 -3.323 1.00 0.98 H new ATOM 0 HG22 ILE A 46 2.314 2.353 -5.080 1.00 0.98 H new ATOM 0 HG23 ILE A 46 1.016 2.884 -3.984 1.00 0.98 H new ATOM 0 HD11 ILE A 46 0.505 0.377 -0.879 1.00 1.05 H new ATOM 0 HD12 ILE A 46 2.034 0.101 -1.746 1.00 1.05 H new ATOM 0 HD13 ILE A 46 1.321 1.730 -1.697 1.00 1.05 H new ATOM 698 N LYS A 47 -0.211 1.913 -7.491 1.00 0.60 N ATOM 699 CA LYS A 47 0.215 2.716 -8.614 1.00 0.63 C ATOM 700 C LYS A 47 0.742 4.029 -8.042 1.00 0.59 C ATOM 701 O LYS A 47 0.016 4.712 -7.320 1.00 0.61 O ATOM 702 CB LYS A 47 -0.961 2.927 -9.552 1.00 0.70 C ATOM 703 CG LYS A 47 -1.429 1.611 -10.187 1.00 0.77 C ATOM 704 CD LYS A 47 -1.921 1.861 -11.614 1.00 1.20 C ATOM 705 CE LYS A 47 -0.732 1.915 -12.583 1.00 1.85 C ATOM 706 NZ LYS A 47 -1.075 2.649 -13.813 1.00 2.54 N ATOM 0 H LYS A 47 -1.216 1.931 -7.320 1.00 0.60 H new ATOM 0 HA LYS A 47 1.001 2.234 -9.195 1.00 0.63 H new ATOM 0 HB2 LYS A 47 -1.787 3.379 -9.003 1.00 0.70 H new ATOM 0 HB3 LYS A 47 -0.678 3.629 -10.337 1.00 0.70 H new ATOM 0 HG2 LYS A 47 -0.610 0.892 -10.197 1.00 0.77 H new ATOM 0 HG3 LYS A 47 -2.229 1.174 -9.589 1.00 0.77 H new ATOM 0 HD2 LYS A 47 -2.608 1.069 -11.914 1.00 1.20 H new ATOM 0 HD3 LYS A 47 -2.477 2.798 -11.656 1.00 1.20 H new ATOM 0 HE2 LYS A 47 0.116 2.396 -12.095 1.00 1.85 H new ATOM 0 HE3 LYS A 47 -0.421 0.902 -12.837 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 -0.251 2.668 -14.447 1.00 2.54 H new ATOM 0 HZ2 LYS A 47 -1.868 2.175 -14.290 1.00 2.54 H new ATOM 0 HZ3 LYS A 47 -1.348 3.623 -13.571 1.00 2.54 H new ATOM 720 N TYR A 48 2.005 4.354 -8.305 1.00 0.77 N ATOM 721 CA TYR A 48 2.767 5.395 -7.626 1.00 0.69 C ATOM 722 C TYR A 48 4.025 5.632 -8.454 1.00 0.75 C ATOM 723 O TYR A 48 4.366 4.766 -9.254 1.00 0.98 O ATOM 724 CB TYR A 48 3.114 4.967 -6.186 1.00 0.81 C ATOM 725 CG TYR A 48 4.325 4.060 -5.996 1.00 0.91 C ATOM 726 CD1 TYR A 48 4.628 3.024 -6.901 1.00 2.59 C ATOM 727 CD2 TYR A 48 5.242 4.357 -4.971 1.00 1.65 C ATOM 728 CE1 TYR A 48 5.928 2.490 -6.945 1.00 2.59 C ATOM 729 CE2 TYR A 48 6.526 3.794 -4.985 1.00 1.77 C ATOM 730 CZ TYR A 48 6.882 2.887 -5.995 1.00 1.09 C ATOM 731 OH TYR A 48 8.149 2.385 -6.036 1.00 1.22 O ATOM 0 H TYR A 48 2.547 3.879 -9.027 1.00 0.77 H new ATOM 0 HA TYR A 48 2.187 6.314 -7.544 1.00 0.69 H new ATOM 0 HB2 TYR A 48 3.273 5.869 -5.596 1.00 0.81 H new ATOM 0 HB3 TYR A 48 2.245 4.461 -5.766 1.00 0.81 H new ATOM 0 HD1 TYR A 48 3.863 2.640 -7.560 1.00 2.59 H new ATOM 0 HD2 TYR A 48 4.955 5.022 -4.170 1.00 1.65 H new ATOM 0 HE1 TYR A 48 6.192 1.775 -7.710 1.00 2.59 H new ATOM 0 HE2 TYR A 48 7.240 4.058 -4.219 1.00 1.77 H new ATOM 0 HH TYR A 48 8.677 2.769 -5.305 1.00 1.22 H new ATOM 741 N ASP A 49 4.739 6.737 -8.242 1.00 0.81 N ATOM 742 CA ASP A 49 6.033 6.939 -8.889 1.00 1.08 C ATOM 743 C ASP A 49 7.056 7.292 -7.812 1.00 0.79 C ATOM 744 O ASP A 49 6.748 8.089 -6.931 1.00 0.78 O ATOM 745 CB ASP A 49 5.930 7.972 -10.020 1.00 1.64 C ATOM 746 CG ASP A 49 5.684 7.270 -11.351 1.00 2.88 C ATOM 747 OD1 ASP A 49 6.686 6.785 -11.918 1.00 4.03 O ATOM 748 OD2 ASP A 49 4.508 7.180 -11.767 1.00 3.55 O ATOM 0 H ASP A 49 4.446 7.500 -7.632 1.00 0.81 H new ATOM 0 HA ASP A 49 6.370 6.026 -9.380 1.00 1.08 H new ATOM 0 HB2 ASP A 49 5.119 8.670 -9.813 1.00 1.64 H new ATOM 0 HB3 ASP A 49 6.848 8.557 -10.073 1.00 1.64 H new ATOM 753 N PRO A 50 8.239 6.656 -7.808 1.00 0.82 N ATOM 754 CA PRO A 50 9.106 6.605 -6.643 1.00 0.93 C ATOM 755 C PRO A 50 9.611 7.985 -6.231 1.00 1.23 C ATOM 756 O PRO A 50 9.482 8.360 -5.069 1.00 2.42 O ATOM 757 CB PRO A 50 10.243 5.642 -7.007 1.00 1.05 C ATOM 758 CG PRO A 50 10.240 5.620 -8.536 1.00 1.17 C ATOM 759 CD PRO A 50 8.764 5.818 -8.870 1.00 1.05 C ATOM 0 HA PRO A 50 8.564 6.250 -5.766 1.00 0.93 H new ATOM 0 HB2 PRO A 50 11.199 5.989 -6.615 1.00 1.05 H new ATOM 0 HB3 PRO A 50 10.071 4.648 -6.594 1.00 1.05 H new ATOM 0 HG2 PRO A 50 10.860 6.413 -8.954 1.00 1.17 H new ATOM 0 HG3 PRO A 50 10.621 4.677 -8.928 1.00 1.17 H new ATOM 0 HD2 PRO A 50 8.642 6.294 -9.843 1.00 1.05 H new ATOM 0 HD3 PRO A 50 8.239 4.864 -8.913 1.00 1.05 H new ATOM 767 N GLU A 51 10.199 8.735 -7.162 1.00 1.09 N ATOM 768 CA GLU A 51 10.862 10.001 -6.873 1.00 1.31 C ATOM 769 C GLU A 51 9.975 10.987 -6.099 1.00 1.12 C ATOM 770 O GLU A 51 10.478 11.749 -5.276 1.00 1.51 O ATOM 771 CB GLU A 51 11.419 10.603 -8.170 1.00 1.70 C ATOM 772 CG GLU A 51 10.418 10.633 -9.335 1.00 1.58 C ATOM 773 CD GLU A 51 11.013 11.375 -10.522 1.00 2.28 C ATOM 774 OE1 GLU A 51 11.943 10.802 -11.129 1.00 2.98 O ATOM 775 OE2 GLU A 51 10.546 12.505 -10.779 1.00 3.13 O ATOM 0 H GLU A 51 10.227 8.476 -8.148 1.00 1.09 H new ATOM 0 HA GLU A 51 11.695 9.794 -6.202 1.00 1.31 H new ATOM 0 HB2 GLU A 51 11.755 11.620 -7.969 1.00 1.70 H new ATOM 0 HB3 GLU A 51 12.296 10.032 -8.475 1.00 1.70 H new ATOM 0 HG2 GLU A 51 10.158 9.615 -9.627 1.00 1.58 H new ATOM 0 HG3 GLU A 51 9.495 11.119 -9.018 1.00 1.58 H new ATOM 782 N ILE A 52 8.660 10.961 -6.339 1.00 0.92 N ATOM 783 CA ILE A 52 7.708 11.873 -5.712 1.00 1.01 C ATOM 784 C ILE A 52 7.165 11.358 -4.375 1.00 0.97 C ATOM 785 O ILE A 52 6.269 11.989 -3.816 1.00 1.70 O ATOM 786 CB ILE A 52 6.573 12.223 -6.695 1.00 1.31 C ATOM 787 CG1 ILE A 52 5.884 10.977 -7.274 1.00 2.23 C ATOM 788 CG2 ILE A 52 7.122 13.097 -7.827 1.00 1.76 C ATOM 789 CD1 ILE A 52 4.647 11.322 -8.106 1.00 2.89 C ATOM 0 H ILE A 52 8.226 10.298 -6.981 1.00 0.92 H new ATOM 0 HA ILE A 52 8.253 12.785 -5.470 1.00 1.01 H new ATOM 0 HB ILE A 52 5.815 12.771 -6.135 1.00 1.31 H new ATOM 0 HG12 ILE A 52 6.593 10.429 -7.894 1.00 2.23 H new ATOM 0 HG13 ILE A 52 5.595 10.314 -6.458 1.00 2.23 H new ATOM 0 HG21 ILE A 52 6.317 13.343 -8.520 1.00 1.76 H new ATOM 0 HG22 ILE A 52 7.535 14.016 -7.410 1.00 1.76 H new ATOM 0 HG23 ILE A 52 7.905 12.556 -8.358 1.00 1.76 H new ATOM 0 HD11 ILE A 52 4.200 10.405 -8.490 1.00 2.89 H new ATOM 0 HD12 ILE A 52 3.923 11.845 -7.481 1.00 2.89 H new ATOM 0 HD13 ILE A 52 4.936 11.962 -8.940 1.00 2.89 H new ATOM 801 N ILE A 53 7.661 10.231 -3.852 1.00 0.70 N ATOM 802 CA ILE A 53 7.050 9.626 -2.669 1.00 0.64 C ATOM 803 C ILE A 53 8.071 8.821 -1.856 1.00 1.22 C ATOM 804 O ILE A 53 8.234 9.048 -0.661 1.00 3.04 O ATOM 805 CB ILE A 53 5.808 8.833 -3.134 1.00 0.82 C ATOM 806 CG1 ILE A 53 4.676 8.695 -2.115 1.00 1.48 C ATOM 807 CG2 ILE A 53 6.131 7.528 -3.860 1.00 1.25 C ATOM 808 CD1 ILE A 53 5.058 7.888 -0.889 1.00 1.76 C ATOM 0 H ILE A 53 8.468 9.729 -4.222 1.00 0.70 H new ATOM 0 HA ILE A 53 6.710 10.385 -1.964 1.00 0.64 H new ATOM 0 HB ILE A 53 5.386 9.495 -3.890 1.00 0.82 H new ATOM 0 HG12 ILE A 53 4.358 9.689 -1.801 1.00 1.48 H new ATOM 0 HG13 ILE A 53 3.820 8.224 -2.597 1.00 1.48 H new ATOM 0 HG21 ILE A 53 5.204 7.035 -4.152 1.00 1.25 H new ATOM 0 HG22 ILE A 53 6.723 7.743 -4.750 1.00 1.25 H new ATOM 0 HG23 ILE A 53 6.697 6.873 -3.197 1.00 1.25 H new ATOM 0 HD11 ILE A 53 4.207 7.832 -0.211 1.00 1.76 H new ATOM 0 HD12 ILE A 53 5.348 6.882 -1.192 1.00 1.76 H new ATOM 0 HD13 ILE A 53 5.895 8.370 -0.383 1.00 1.76 H new ATOM 820 N GLY A 54 8.781 7.896 -2.501 1.00 0.62 N ATOM 821 CA GLY A 54 9.648 6.936 -1.847 1.00 0.79 C ATOM 822 C GLY A 54 8.799 5.774 -1.324 1.00 0.77 C ATOM 823 O GLY A 54 8.000 5.974 -0.410 1.00 0.99 O ATOM 0 H GLY A 54 8.764 7.797 -3.516 1.00 0.62 H new ATOM 0 HA2 GLY A 54 10.399 6.569 -2.547 1.00 0.79 H new ATOM 0 HA3 GLY A 54 10.184 7.411 -1.025 1.00 0.79 H new ATOM 827 N PRO A 55 8.947 4.544 -1.848 1.00 0.68 N ATOM 828 CA PRO A 55 8.134 3.417 -1.403 1.00 0.76 C ATOM 829 C PRO A 55 8.271 3.197 0.106 1.00 0.68 C ATOM 830 O PRO A 55 7.318 2.788 0.764 1.00 0.63 O ATOM 831 CB PRO A 55 8.602 2.205 -2.216 1.00 0.89 C ATOM 832 CG PRO A 55 10.011 2.587 -2.672 1.00 0.80 C ATOM 833 CD PRO A 55 9.953 4.109 -2.805 1.00 0.69 C ATOM 0 HA PRO A 55 7.072 3.598 -1.570 1.00 0.76 H new ATOM 0 HB2 PRO A 55 8.610 1.298 -1.612 1.00 0.89 H new ATOM 0 HB3 PRO A 55 7.945 2.016 -3.065 1.00 0.89 H new ATOM 0 HG2 PRO A 55 10.764 2.278 -1.947 1.00 0.80 H new ATOM 0 HG3 PRO A 55 10.267 2.112 -3.619 1.00 0.80 H new ATOM 0 HD2 PRO A 55 10.922 4.559 -2.588 1.00 0.69 H new ATOM 0 HD3 PRO A 55 9.684 4.405 -3.819 1.00 0.69 H new ATOM 841 N ARG A 56 9.448 3.504 0.662 1.00 0.75 N ATOM 842 CA ARG A 56 9.686 3.427 2.093 1.00 0.82 C ATOM 843 C ARG A 56 8.655 4.237 2.893 1.00 0.75 C ATOM 844 O ARG A 56 8.268 3.804 3.970 1.00 0.73 O ATOM 845 CB ARG A 56 11.124 3.854 2.422 1.00 1.08 C ATOM 846 CG ARG A 56 11.537 3.276 3.783 1.00 2.22 C ATOM 847 CD ARG A 56 12.851 3.868 4.302 1.00 3.17 C ATOM 848 NE ARG A 56 13.992 3.500 3.449 1.00 3.91 N ATOM 849 CZ ARG A 56 15.265 3.852 3.694 1.00 5.34 C ATOM 850 NH1 ARG A 56 15.556 4.579 4.778 1.00 6.07 N ATOM 851 NH2 ARG A 56 16.238 3.474 2.856 1.00 6.61 N ATOM 0 H ARG A 56 10.258 3.812 0.125 1.00 0.75 H new ATOM 0 HA ARG A 56 9.563 2.387 2.396 1.00 0.82 H new ATOM 0 HB2 ARG A 56 11.804 3.504 1.646 1.00 1.08 H new ATOM 0 HB3 ARG A 56 11.195 4.941 2.441 1.00 1.08 H new ATOM 0 HG2 ARG A 56 10.746 3.465 4.509 1.00 2.22 H new ATOM 0 HG3 ARG A 56 11.639 2.194 3.698 1.00 2.22 H new ATOM 0 HD2 ARG A 56 12.767 4.954 4.348 1.00 3.17 H new ATOM 0 HD3 ARG A 56 13.030 3.519 5.319 1.00 3.17 H new ATOM 0 HE ARG A 56 13.804 2.941 2.617 1.00 3.91 H new ATOM 0 HH11 ARG A 56 14.813 4.864 5.415 1.00 6.07 H new ATOM 0 HH12 ARG A 56 16.521 4.848 4.967 1.00 6.07 H new ATOM 0 HH21 ARG A 56 16.013 2.918 2.031 1.00 6.61 H new ATOM 0 HH22 ARG A 56 17.204 3.742 3.043 1.00 6.61 H new ATOM 865 N ASP A 57 8.208 5.397 2.402 1.00 0.76 N ATOM 866 CA ASP A 57 7.241 6.232 3.115 1.00 0.77 C ATOM 867 C ASP A 57 5.880 5.527 3.190 1.00 0.69 C ATOM 868 O ASP A 57 5.259 5.405 4.253 1.00 0.69 O ATOM 869 CB ASP A 57 7.149 7.585 2.403 1.00 0.88 C ATOM 870 CG ASP A 57 6.053 8.473 2.966 1.00 2.77 C ATOM 871 OD1 ASP A 57 5.887 8.467 4.203 1.00 4.20 O ATOM 872 OD2 ASP A 57 5.376 9.126 2.142 1.00 3.67 O ATOM 0 H ASP A 57 8.505 5.780 1.505 1.00 0.76 H new ATOM 0 HA ASP A 57 7.566 6.399 4.142 1.00 0.77 H new ATOM 0 HB2 ASP A 57 8.106 8.100 2.486 1.00 0.88 H new ATOM 0 HB3 ASP A 57 6.967 7.420 1.341 1.00 0.88 H new ATOM 877 N ILE A 58 5.431 4.994 2.051 1.00 0.62 N ATOM 878 CA ILE A 58 4.255 4.133 2.031 1.00 0.53 C ATOM 879 C ILE A 58 4.425 2.965 3.009 1.00 0.52 C ATOM 880 O ILE A 58 3.551 2.730 3.844 1.00 0.49 O ATOM 881 CB ILE A 58 3.989 3.688 0.585 1.00 0.50 C ATOM 882 CG1 ILE A 58 3.232 4.807 -0.142 1.00 0.70 C ATOM 883 CG2 ILE A 58 3.202 2.377 0.499 1.00 0.49 C ATOM 884 CD1 ILE A 58 3.534 4.789 -1.636 1.00 0.83 C ATOM 0 H ILE A 58 5.863 5.144 1.139 1.00 0.62 H new ATOM 0 HA ILE A 58 3.375 4.678 2.373 1.00 0.53 H new ATOM 0 HB ILE A 58 4.952 3.500 0.110 1.00 0.50 H new ATOM 0 HG12 ILE A 58 2.160 4.689 0.018 1.00 0.70 H new ATOM 0 HG13 ILE A 58 3.512 5.773 0.278 1.00 0.70 H new ATOM 0 HG21 ILE A 58 3.045 2.115 -0.547 1.00 0.49 H new ATOM 0 HG22 ILE A 58 3.763 1.583 0.992 1.00 0.49 H new ATOM 0 HG23 ILE A 58 2.237 2.499 0.991 1.00 0.49 H new ATOM 0 HD11 ILE A 58 2.985 5.592 -2.128 1.00 0.83 H new ATOM 0 HD12 ILE A 58 4.603 4.931 -1.793 1.00 0.83 H new ATOM 0 HD13 ILE A 58 3.230 3.831 -2.057 1.00 0.83 H new ATOM 896 N ILE A 59 5.538 2.234 2.916 1.00 0.57 N ATOM 897 CA ILE A 59 5.788 1.075 3.770 1.00 0.60 C ATOM 898 C ILE A 59 5.710 1.480 5.243 1.00 0.61 C ATOM 899 O ILE A 59 4.925 0.887 5.985 1.00 0.59 O ATOM 900 CB ILE A 59 7.120 0.407 3.392 1.00 0.68 C ATOM 901 CG1 ILE A 59 6.969 -0.255 2.011 1.00 0.76 C ATOM 902 CG2 ILE A 59 7.537 -0.644 4.433 1.00 0.85 C ATOM 903 CD1 ILE A 59 8.319 -0.507 1.344 1.00 1.42 C ATOM 0 H ILE A 59 6.286 2.429 2.250 1.00 0.57 H new ATOM 0 HA ILE A 59 5.013 0.325 3.610 1.00 0.60 H new ATOM 0 HB ILE A 59 7.898 1.170 3.363 1.00 0.68 H new ATOM 0 HG12 ILE A 59 6.436 -1.200 2.119 1.00 0.76 H new ATOM 0 HG13 ILE A 59 6.361 0.382 1.369 1.00 0.76 H new ATOM 0 HG21 ILE A 59 8.483 -1.096 4.135 1.00 0.85 H new ATOM 0 HG22 ILE A 59 7.654 -0.166 5.406 1.00 0.85 H new ATOM 0 HG23 ILE A 59 6.770 -1.416 4.498 1.00 0.85 H new ATOM 0 HD11 ILE A 59 8.163 -0.975 0.372 1.00 1.42 H new ATOM 0 HD12 ILE A 59 8.841 0.440 1.211 1.00 1.42 H new ATOM 0 HD13 ILE A 59 8.918 -1.166 1.972 1.00 1.42 H new ATOM 915 N HIS A 60 6.463 2.516 5.635 1.00 0.65 N ATOM 916 CA HIS A 60 6.415 3.109 6.964 1.00 0.70 C ATOM 917 C HIS A 60 4.967 3.317 7.367 1.00 0.60 C ATOM 918 O HIS A 60 4.582 2.964 8.475 1.00 0.61 O ATOM 919 CB HIS A 60 7.115 4.475 7.021 1.00 0.84 C ATOM 920 CG HIS A 60 8.610 4.490 6.864 1.00 1.22 C ATOM 921 ND1 HIS A 60 9.330 5.554 6.369 1.00 2.09 N ATOM 922 CD2 HIS A 60 9.503 3.594 7.391 1.00 1.38 C ATOM 923 CE1 HIS A 60 10.630 5.298 6.584 1.00 2.74 C ATOM 924 NE2 HIS A 60 10.790 4.114 7.196 1.00 2.34 N ATOM 0 H HIS A 60 7.136 2.970 5.017 1.00 0.65 H new ATOM 0 HA HIS A 60 6.930 2.425 7.638 1.00 0.70 H new ATOM 0 HB2 HIS A 60 6.688 5.106 6.242 1.00 0.84 H new ATOM 0 HB3 HIS A 60 6.871 4.939 7.977 1.00 0.84 H new ATOM 0 HD2 HIS A 60 9.259 2.657 7.870 1.00 1.38 H new ATOM 0 HE1 HIS A 60 11.439 5.956 6.302 1.00 2.74 H new ATOM 0 HE2 HIS A 60 11.672 3.679 7.465 1.00 2.34 H new ATOM 932 N THR A 61 4.156 3.900 6.482 1.00 0.55 N ATOM 933 CA THR A 61 2.770 4.161 6.826 1.00 0.54 C ATOM 934 C THR A 61 2.021 2.847 7.092 1.00 0.47 C ATOM 935 O THR A 61 1.363 2.709 8.123 1.00 0.48 O ATOM 936 CB THR A 61 2.133 5.059 5.762 1.00 0.63 C ATOM 937 OG1 THR A 61 2.906 6.238 5.669 1.00 0.86 O ATOM 938 CG2 THR A 61 0.703 5.453 6.144 1.00 0.73 C ATOM 0 H THR A 61 4.432 4.192 5.545 1.00 0.55 H new ATOM 0 HA THR A 61 2.707 4.715 7.763 1.00 0.54 H new ATOM 0 HB THR A 61 2.101 4.516 4.817 1.00 0.63 H new ATOM 0 HG1 THR A 61 3.734 6.048 5.181 1.00 0.86 H new ATOM 0 HG21 THR A 61 0.281 6.090 5.367 1.00 0.73 H new ATOM 0 HG22 THR A 61 0.094 4.555 6.248 1.00 0.73 H new ATOM 0 HG23 THR A 61 0.715 5.994 7.090 1.00 0.73 H new ATOM 946 N ILE A 62 2.137 1.876 6.185 1.00 0.44 N ATOM 947 CA ILE A 62 1.456 0.587 6.294 1.00 0.44 C ATOM 948 C ILE A 62 1.810 -0.118 7.614 1.00 0.45 C ATOM 949 O ILE A 62 0.908 -0.508 8.363 1.00 0.46 O ATOM 950 CB ILE A 62 1.710 -0.246 5.020 1.00 0.44 C ATOM 951 CG1 ILE A 62 0.992 0.450 3.849 1.00 0.51 C ATOM 952 CG2 ILE A 62 1.175 -1.677 5.161 1.00 0.50 C ATOM 953 CD1 ILE A 62 1.282 -0.161 2.478 1.00 0.69 C ATOM 0 H ILE A 62 2.712 1.964 5.347 1.00 0.44 H new ATOM 0 HA ILE A 62 0.377 0.733 6.346 1.00 0.44 H new ATOM 0 HB ILE A 62 2.784 -0.311 4.848 1.00 0.44 H new ATOM 0 HG12 ILE A 62 -0.083 0.418 4.027 1.00 0.51 H new ATOM 0 HG13 ILE A 62 1.282 1.501 3.834 1.00 0.51 H new ATOM 0 HG21 ILE A 62 1.373 -2.231 4.244 1.00 0.50 H new ATOM 0 HG22 ILE A 62 1.671 -2.170 5.997 1.00 0.50 H new ATOM 0 HG23 ILE A 62 0.101 -1.648 5.342 1.00 0.50 H new ATOM 0 HD11 ILE A 62 0.737 0.390 1.712 1.00 0.69 H new ATOM 0 HD12 ILE A 62 2.351 -0.105 2.274 1.00 0.69 H new ATOM 0 HD13 ILE A 62 0.965 -1.204 2.470 1.00 0.69 H new ATOM 965 N GLU A 63 3.101 -0.246 7.926 1.00 0.55 N ATOM 966 CA GLU A 63 3.525 -0.884 9.170 1.00 0.67 C ATOM 967 C GLU A 63 3.184 -0.026 10.388 1.00 0.67 C ATOM 968 O GLU A 63 2.713 -0.545 11.398 1.00 0.83 O ATOM 969 CB GLU A 63 4.980 -1.357 9.067 1.00 0.83 C ATOM 970 CG GLU A 63 6.013 -0.230 8.955 1.00 1.79 C ATOM 971 CD GLU A 63 7.346 -0.701 8.379 1.00 1.93 C ATOM 972 OE1 GLU A 63 7.525 -1.933 8.259 1.00 2.58 O ATOM 973 OE2 GLU A 63 8.162 0.189 8.057 1.00 2.82 O ATOM 0 H GLU A 63 3.866 0.082 7.337 1.00 0.55 H new ATOM 0 HA GLU A 63 2.949 -1.795 9.331 1.00 0.67 H new ATOM 0 HB2 GLU A 63 5.215 -1.961 9.944 1.00 0.83 H new ATOM 0 HB3 GLU A 63 5.076 -2.007 8.197 1.00 0.83 H new ATOM 0 HG2 GLU A 63 5.611 0.563 8.325 1.00 1.79 H new ATOM 0 HG3 GLU A 63 6.181 0.201 9.942 1.00 1.79 H new ATOM 980 N SER A 64 3.362 1.292 10.285 1.00 0.59 N ATOM 981 CA SER A 64 3.049 2.213 11.365 1.00 0.63 C ATOM 982 C SER A 64 1.552 2.258 11.682 1.00 0.62 C ATOM 983 O SER A 64 1.219 2.663 12.794 1.00 0.85 O ATOM 984 CB SER A 64 3.613 3.612 11.090 1.00 0.68 C ATOM 985 OG SER A 64 3.381 4.468 12.196 1.00 0.80 O ATOM 0 H SER A 64 3.728 1.746 9.448 1.00 0.59 H new ATOM 0 HA SER A 64 3.542 1.828 12.258 1.00 0.63 H new ATOM 0 HB2 SER A 64 4.683 3.547 10.892 1.00 0.68 H new ATOM 0 HB3 SER A 64 3.148 4.029 10.197 1.00 0.68 H new ATOM 0 HG SER A 64 2.646 4.111 12.738 1.00 0.80 H new ATOM 991 N LEU A 65 0.649 1.898 10.758 1.00 0.55 N ATOM 992 CA LEU A 65 -0.733 1.634 11.134 1.00 0.63 C ATOM 993 C LEU A 65 -0.791 0.379 12.013 1.00 0.77 C ATOM 994 O LEU A 65 -0.809 0.492 13.237 1.00 1.29 O ATOM 995 CB LEU A 65 -1.605 1.516 9.882 1.00 0.75 C ATOM 996 CG LEU A 65 -1.735 2.872 9.173 1.00 0.78 C ATOM 997 CD1 LEU A 65 -1.927 2.630 7.681 1.00 1.66 C ATOM 998 CD2 LEU A 65 -2.895 3.688 9.746 1.00 1.52 C ATOM 0 H LEU A 65 0.852 1.787 9.765 1.00 0.55 H new ATOM 0 HA LEU A 65 -1.130 2.464 11.719 1.00 0.63 H new ATOM 0 HB2 LEU A 65 -1.171 0.785 9.200 1.00 0.75 H new ATOM 0 HB3 LEU A 65 -2.594 1.149 10.156 1.00 0.75 H new ATOM 0 HG LEU A 65 -0.825 3.450 9.336 1.00 0.78 H new ATOM 0 HD11 LEU A 65 -2.021 3.586 7.166 1.00 1.66 H new ATOM 0 HD12 LEU A 65 -1.067 2.088 7.287 1.00 1.66 H new ATOM 0 HD13 LEU A 65 -2.831 2.042 7.521 1.00 1.66 H new ATOM 0 HD21 LEU A 65 -2.961 4.642 9.224 1.00 1.52 H new ATOM 0 HD22 LEU A 65 -3.827 3.137 9.615 1.00 1.52 H new ATOM 0 HD23 LEU A 65 -2.725 3.866 10.808 1.00 1.52 H new ATOM 1010 N GLY A 66 -0.878 -0.816 11.417 1.00 0.70 N ATOM 1011 CA GLY A 66 -0.820 -2.046 12.200 1.00 0.82 C ATOM 1012 C GLY A 66 -0.429 -3.294 11.411 1.00 0.73 C ATOM 1013 O GLY A 66 -0.752 -4.392 11.859 1.00 1.07 O ATOM 0 H GLY A 66 -0.987 -0.952 10.412 1.00 0.70 H new ATOM 0 HA2 GLY A 66 -0.106 -1.909 13.012 1.00 0.82 H new ATOM 0 HA3 GLY A 66 -1.795 -2.214 12.658 1.00 0.82 H new ATOM 1017 N PHE A 67 0.189 -3.158 10.231 1.00 0.61 N ATOM 1018 CA PHE A 67 0.280 -4.259 9.275 1.00 0.56 C ATOM 1019 C PHE A 67 1.686 -4.338 8.694 1.00 0.78 C ATOM 1020 O PHE A 67 2.057 -3.424 7.964 1.00 1.67 O ATOM 1021 CB PHE A 67 -0.708 -3.983 8.132 1.00 0.74 C ATOM 1022 CG PHE A 67 -1.985 -3.302 8.558 1.00 0.79 C ATOM 1023 CD1 PHE A 67 -2.900 -3.993 9.368 1.00 2.06 C ATOM 1024 CD2 PHE A 67 -2.209 -1.953 8.229 1.00 1.80 C ATOM 1025 CE1 PHE A 67 -4.129 -3.400 9.686 1.00 2.04 C ATOM 1026 CE2 PHE A 67 -3.438 -1.359 8.547 1.00 1.82 C ATOM 1027 CZ PHE A 67 -4.422 -2.113 9.207 1.00 0.80 C ATOM 0 H PHE A 67 0.632 -2.294 9.919 1.00 0.61 H new ATOM 0 HA PHE A 67 0.048 -5.198 9.777 1.00 0.56 H new ATOM 0 HB2 PHE A 67 -0.214 -3.364 7.383 1.00 0.74 H new ATOM 0 HB3 PHE A 67 -0.959 -4.928 7.650 1.00 0.74 H new ATOM 0 HD1 PHE A 67 -2.658 -4.976 9.744 1.00 2.06 H new ATOM 0 HD2 PHE A 67 -1.439 -1.379 7.735 1.00 1.80 H new ATOM 0 HE1 PHE A 67 -4.846 -3.929 10.296 1.00 2.04 H new ATOM 0 HE2 PHE A 67 -3.627 -0.328 8.286 1.00 1.82 H new ATOM 0 HZ PHE A 67 -5.410 -1.700 9.347 1.00 0.80 H new ATOM 1037 N GLU A 68 2.463 -5.405 8.903 1.00 0.66 N ATOM 1038 CA GLU A 68 3.768 -5.415 8.251 1.00 0.83 C ATOM 1039 C GLU A 68 3.541 -5.715 6.768 1.00 0.68 C ATOM 1040 O GLU A 68 2.524 -6.296 6.373 1.00 1.04 O ATOM 1041 CB GLU A 68 4.803 -6.367 8.888 1.00 1.37 C ATOM 1042 CG GLU A 68 4.383 -7.053 10.192 1.00 2.03 C ATOM 1043 CD GLU A 68 3.374 -8.146 9.912 1.00 2.80 C ATOM 1044 OE1 GLU A 68 3.815 -9.205 9.408 1.00 3.00 O ATOM 1045 OE2 GLU A 68 2.176 -7.856 10.117 1.00 4.26 O ATOM 0 H GLU A 68 2.233 -6.217 9.476 1.00 0.66 H new ATOM 0 HA GLU A 68 4.222 -4.433 8.385 1.00 0.83 H new ATOM 0 HB2 GLU A 68 5.051 -7.139 8.160 1.00 1.37 H new ATOM 0 HB3 GLU A 68 5.716 -5.802 9.077 1.00 1.37 H new ATOM 0 HG2 GLU A 68 5.258 -7.475 10.687 1.00 2.03 H new ATOM 0 HG3 GLU A 68 3.954 -6.319 10.875 1.00 2.03 H new ATOM 1052 N ALA A 69 4.480 -5.261 5.938 1.00 0.60 N ATOM 1053 CA ALA A 69 4.379 -5.326 4.492 1.00 0.60 C ATOM 1054 C ALA A 69 5.514 -6.163 3.914 1.00 0.73 C ATOM 1055 O ALA A 69 6.508 -6.449 4.583 1.00 1.17 O ATOM 1056 CB ALA A 69 4.426 -3.903 3.936 1.00 0.81 C ATOM 0 H ALA A 69 5.345 -4.831 6.264 1.00 0.60 H new ATOM 0 HA ALA A 69 3.439 -5.800 4.210 1.00 0.60 H new ATOM 0 HB1 ALA A 69 4.351 -3.934 2.849 1.00 0.81 H new ATOM 0 HB2 ALA A 69 3.594 -3.327 4.341 1.00 0.81 H new ATOM 0 HB3 ALA A 69 5.367 -3.432 4.221 1.00 0.81 H new ATOM 1062 N SER A 70 5.371 -6.571 2.655 1.00 0.59 N ATOM 1063 CA SER A 70 6.420 -7.224 1.892 1.00 0.70 C ATOM 1064 C SER A 70 6.250 -6.853 0.419 1.00 0.62 C ATOM 1065 O SER A 70 5.471 -7.497 -0.277 1.00 0.63 O ATOM 1066 CB SER A 70 6.339 -8.738 2.135 1.00 0.86 C ATOM 1067 OG SER A 70 6.527 -9.008 3.518 1.00 1.89 O ATOM 0 H SER A 70 4.504 -6.452 2.131 1.00 0.59 H new ATOM 0 HA SER A 70 7.411 -6.896 2.205 1.00 0.70 H new ATOM 0 HB2 SER A 70 5.371 -9.118 1.808 1.00 0.86 H new ATOM 0 HB3 SER A 70 7.099 -9.252 1.547 1.00 0.86 H new ATOM 0 HG SER A 70 6.684 -8.168 3.997 1.00 1.89 H new ATOM 1073 N LEU A 71 6.929 -5.793 -0.039 1.00 0.84 N ATOM 1074 CA LEU A 71 6.964 -5.393 -1.447 1.00 0.91 C ATOM 1075 C LEU A 71 7.432 -6.545 -2.330 1.00 0.93 C ATOM 1076 O LEU A 71 8.458 -7.164 -2.055 1.00 1.37 O ATOM 1077 CB LEU A 71 7.703 -4.062 -1.665 1.00 1.38 C ATOM 1078 CG LEU A 71 9.217 -3.998 -1.392 1.00 1.30 C ATOM 1079 CD1 LEU A 71 9.735 -2.648 -1.913 1.00 1.77 C ATOM 1080 CD2 LEU A 71 9.562 -4.109 0.098 1.00 2.83 C ATOM 0 H LEU A 71 7.476 -5.183 0.568 1.00 0.84 H new ATOM 0 HA LEU A 71 5.945 -5.175 -1.768 1.00 0.91 H new ATOM 0 HB2 LEU A 71 7.542 -3.761 -2.700 1.00 1.38 H new ATOM 0 HB3 LEU A 71 7.223 -3.312 -1.037 1.00 1.38 H new ATOM 0 HG LEU A 71 9.683 -4.844 -1.896 1.00 1.30 H new ATOM 0 HD11 LEU A 71 10.807 -2.575 -1.732 1.00 1.77 H new ATOM 0 HD12 LEU A 71 9.541 -2.572 -2.983 1.00 1.77 H new ATOM 0 HD13 LEU A 71 9.224 -1.837 -1.394 1.00 1.77 H new ATOM 0 HD21 LEU A 71 10.643 -4.057 0.226 1.00 2.83 H new ATOM 0 HD22 LEU A 71 9.093 -3.289 0.642 1.00 2.83 H new ATOM 0 HD23 LEU A 71 9.196 -5.059 0.486 1.00 2.83 H new ATOM 1092 N VAL A 72 6.629 -6.860 -3.350 1.00 0.96 N ATOM 1093 CA VAL A 72 6.816 -8.010 -4.216 1.00 1.08 C ATOM 1094 C VAL A 72 7.156 -7.525 -5.624 1.00 1.37 C ATOM 1095 O VAL A 72 6.684 -6.475 -6.056 1.00 2.55 O ATOM 1096 CB VAL A 72 5.567 -8.914 -4.184 1.00 1.11 C ATOM 1097 CG1 VAL A 72 5.301 -9.457 -2.780 1.00 1.10 C ATOM 1098 CG2 VAL A 72 4.295 -8.235 -4.703 1.00 1.28 C ATOM 0 H VAL A 72 5.811 -6.302 -3.596 1.00 0.96 H new ATOM 0 HA VAL A 72 7.648 -8.618 -3.862 1.00 1.08 H new ATOM 0 HB VAL A 72 5.803 -9.733 -4.863 1.00 1.11 H new ATOM 0 HG11 VAL A 72 4.413 -10.089 -2.797 1.00 1.10 H new ATOM 0 HG12 VAL A 72 6.158 -10.043 -2.448 1.00 1.10 H new ATOM 0 HG13 VAL A 72 5.142 -8.626 -2.093 1.00 1.10 H new ATOM 0 HG21 VAL A 72 3.461 -8.935 -4.649 1.00 1.28 H new ATOM 0 HG22 VAL A 72 4.075 -7.360 -4.092 1.00 1.28 H new ATOM 0 HG23 VAL A 72 4.443 -7.927 -5.738 1.00 1.28 H new