USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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 20 SER OG : rot 180:sc= 0.829 USER MOD Set 1.2: A 28 SER OG : rot -117:sc= 1.05 USER MOD Set 2.1: A 15 TYR OH : rot 79:sc= -0.759 USER MOD Set 2.2: A 70 CYS SG : rot -88:sc= 1.24 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.84 K(o=0.84,f=-0.032) USER MOD Single : A 25 CYS SG : rot 101:sc= -1.17 USER MOD Single : A 29 CYS SG : rot 180:sc=-0.00214 USER MOD Single : A 31 MET CE :methyl 152:sc= -0.274 (180deg=-1.26!) USER MOD Single : A 34 SER OG : rot -143:sc= 1.21 USER MOD Single : A 46 GLN : amide:sc= -0.185 K(o=-0.18,f=-2.2!) USER MOD Single : A 51 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.026) USER MOD Single : A 54 ASN : amide:sc= 0.0734 K(o=0.073,f=-3.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= -0.114 (180deg=-0.521) USER MOD Single : A 59 SER OG : rot 123:sc= 0.488 USER MOD Single : A 60 HIS : no HD1:sc= 0.229 K(o=0.23,f=-2.6) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 66:sc= 0.526 USER MOD Single : A 75 HIS : no HD1:sc= -0.049 X(o=-0.049,f=-0.48) USER MOD Single : A 76 MET CE :methyl -151:sc= -0.0829 (180deg=-1.94!) USER MOD ----------------------------------------------------------------- ATOM 41 N VAL A 3 0.279 -1.060 -14.014 1.00 0.00 N ATOM 42 CA VAL A 3 1.246 -1.308 -12.945 1.00 0.00 C ATOM 43 C VAL A 3 2.084 -0.060 -12.666 1.00 0.00 C ATOM 44 O VAL A 3 2.770 0.449 -13.554 1.00 0.00 O ATOM 45 CB VAL A 3 2.183 -2.484 -13.296 1.00 0.00 C ATOM 46 CG1 VAL A 3 3.047 -2.862 -12.100 1.00 0.00 C ATOM 47 CG2 VAL A 3 1.384 -3.687 -13.785 1.00 0.00 C ATOM 0 HA VAL A 3 0.677 -1.566 -12.052 1.00 0.00 H new ATOM 0 HB VAL A 3 2.841 -2.162 -14.103 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.699 -3.693 -12.370 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.653 -2.006 -11.804 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.408 -3.158 -11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.066 -4.503 -14.026 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.695 -4.008 -13.004 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.819 -3.411 -14.675 1.00 0.00 H new ATOM 57 N ARG A 4 2.015 0.430 -11.427 1.00 0.00 N ATOM 58 CA ARG A 4 2.762 1.623 -11.025 1.00 0.00 C ATOM 59 C ARG A 4 3.126 1.579 -9.538 1.00 0.00 C ATOM 60 O ARG A 4 2.704 0.679 -8.810 1.00 0.00 O ATOM 61 CB ARG A 4 1.945 2.882 -11.326 1.00 0.00 C ATOM 62 CG ARG A 4 0.671 2.999 -10.500 1.00 0.00 C ATOM 63 CD ARG A 4 -0.511 3.436 -11.351 1.00 0.00 C ATOM 64 NE ARG A 4 -1.054 4.724 -10.918 1.00 0.00 N ATOM 65 CZ ARG A 4 -2.281 5.158 -11.221 1.00 0.00 C ATOM 66 NH1 ARG A 4 -3.096 4.419 -11.967 1.00 0.00 N ATOM 67 NH2 ARG A 4 -2.693 6.341 -10.776 1.00 0.00 N ATOM 0 H ARG A 4 1.449 0.019 -10.684 1.00 0.00 H new ATOM 0 HA ARG A 4 3.688 1.647 -11.599 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.566 3.759 -11.145 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.683 2.890 -12.384 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.449 2.039 -10.034 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.824 3.716 -9.694 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.201 3.506 -12.394 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.293 2.678 -11.301 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.459 5.328 -10.350 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.787 3.511 -12.314 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.031 4.760 -12.192 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.073 6.915 -10.205 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.629 6.675 -11.006 1.00 0.00 H new ATOM 81 N SER A 5 3.915 2.562 -9.094 1.00 0.00 N ATOM 82 CA SER A 5 4.339 2.638 -7.695 1.00 0.00 C ATOM 83 C SER A 5 3.843 3.927 -7.039 1.00 0.00 C ATOM 84 O SER A 5 3.907 5.002 -7.638 1.00 0.00 O ATOM 85 CB SER A 5 5.865 2.562 -7.594 1.00 0.00 C ATOM 86 OG SER A 5 6.415 1.777 -8.640 1.00 0.00 O ATOM 0 H SER A 5 4.272 3.314 -9.683 1.00 0.00 H new ATOM 0 HA SER A 5 3.902 1.790 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.284 3.567 -7.633 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.147 2.136 -6.631 1.00 0.00 H new ATOM 0 HG SER A 5 7.390 1.749 -8.550 1.00 0.00 H new ATOM 92 N VAL A 6 3.355 3.810 -5.802 1.00 0.00 N ATOM 93 CA VAL A 6 2.850 4.964 -5.058 1.00 0.00 C ATOM 94 C VAL A 6 3.718 5.251 -3.829 1.00 0.00 C ATOM 95 O VAL A 6 4.148 4.328 -3.133 1.00 0.00 O ATOM 96 CB VAL A 6 1.387 4.753 -4.603 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.846 6.005 -3.924 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.508 4.360 -5.783 1.00 0.00 C ATOM 0 H VAL A 6 3.299 2.927 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 6 2.889 5.816 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 6 1.371 3.939 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.184 5.834 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.455 6.237 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.879 6.841 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.517 4.216 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.533 5.150 -6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.878 3.432 -6.219 1.00 0.00 H new ATOM 108 N GLU A 7 3.965 6.536 -3.573 1.00 0.00 N ATOM 109 CA GLU A 7 4.779 6.955 -2.433 1.00 0.00 C ATOM 110 C GLU A 7 3.941 7.748 -1.427 1.00 0.00 C ATOM 111 O GLU A 7 3.534 8.878 -1.700 1.00 0.00 O ATOM 112 CB GLU A 7 5.958 7.807 -2.911 1.00 0.00 C ATOM 113 CG GLU A 7 6.891 7.083 -3.872 1.00 0.00 C ATOM 114 CD GLU A 7 6.628 7.432 -5.326 1.00 0.00 C ATOM 115 OE1 GLU A 7 6.715 8.628 -5.674 1.00 0.00 O ATOM 116 OE2 GLU A 7 6.339 6.508 -6.115 1.00 0.00 O ATOM 0 H GLU A 7 3.612 7.306 -4.141 1.00 0.00 H new ATOM 0 HA GLU A 7 5.158 6.060 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.573 8.702 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.530 8.138 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.923 7.332 -3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.781 6.007 -3.736 1.00 0.00 H new ATOM 123 N VAL A 8 3.688 7.147 -0.262 1.00 0.00 N ATOM 124 CA VAL A 8 2.902 7.802 0.781 1.00 0.00 C ATOM 125 C VAL A 8 3.810 8.487 1.804 1.00 0.00 C ATOM 126 O VAL A 8 4.751 7.880 2.317 1.00 0.00 O ATOM 127 CB VAL A 8 1.974 6.806 1.510 1.00 0.00 C ATOM 128 CG1 VAL A 8 0.933 7.552 2.335 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.296 5.869 0.515 1.00 0.00 C ATOM 0 H VAL A 8 4.015 6.212 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 8 2.286 8.552 0.285 1.00 0.00 H new ATOM 0 HB VAL A 8 2.583 6.204 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.288 6.834 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.434 8.175 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.331 8.181 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.647 5.176 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.701 6.453 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.054 5.307 -0.031 1.00 0.00 H new ATOM 139 N ALA A 9 3.516 9.755 2.094 1.00 0.00 N ATOM 140 CA ALA A 9 4.296 10.536 3.047 1.00 0.00 C ATOM 141 C ALA A 9 3.701 10.439 4.449 1.00 0.00 C ATOM 142 O ALA A 9 2.806 11.205 4.806 1.00 0.00 O ATOM 143 CB ALA A 9 4.366 11.990 2.599 1.00 0.00 C ATOM 0 H ALA A 9 2.736 10.264 1.677 1.00 0.00 H new ATOM 0 HA ALA A 9 5.306 10.127 3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.951 12.564 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.839 12.046 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.358 12.401 2.540 1.00 0.00 H new ATOM 149 N ARG A 10 4.207 9.484 5.228 1.00 0.00 N ATOM 150 CA ARG A 10 3.738 9.257 6.602 1.00 0.00 C ATOM 151 C ARG A 10 3.461 10.575 7.326 1.00 0.00 C ATOM 152 O ARG A 10 4.342 11.430 7.438 1.00 0.00 O ATOM 153 CB ARG A 10 4.768 8.435 7.387 1.00 0.00 C ATOM 154 CG ARG A 10 4.189 7.736 8.609 1.00 0.00 C ATOM 155 CD ARG A 10 5.267 7.016 9.407 1.00 0.00 C ATOM 156 NE ARG A 10 5.780 7.834 10.509 1.00 0.00 N ATOM 157 CZ ARG A 10 6.950 7.620 11.117 1.00 0.00 C ATOM 158 NH1 ARG A 10 7.737 6.615 10.738 1.00 0.00 N ATOM 159 NH2 ARG A 10 7.335 8.415 12.110 1.00 0.00 N ATOM 0 H ARG A 10 4.948 8.848 4.932 1.00 0.00 H new ATOM 0 HA ARG A 10 2.802 8.701 6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.205 7.688 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.578 9.092 7.705 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.692 8.468 9.246 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.430 7.020 8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.861 6.086 9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.089 6.747 8.744 1.00 0.00 H new ATOM 0 HE ARG A 10 5.209 8.615 10.832 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.448 6.000 9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.629 6.460 11.209 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.737 9.187 12.406 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.228 8.253 12.576 1.00 0.00 H new ATOM 173 N GLY A 11 2.227 10.732 7.804 1.00 0.00 N ATOM 174 CA GLY A 11 1.836 11.946 8.503 1.00 0.00 C ATOM 175 C GLY A 11 2.503 12.088 9.858 1.00 0.00 C ATOM 176 O GLY A 11 3.590 12.658 9.962 1.00 0.00 O ATOM 0 H GLY A 11 1.487 10.035 7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.087 12.810 7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.754 11.951 8.634 1.00 0.00 H new ATOM 180 N ARG A 12 1.851 11.571 10.898 1.00 0.00 N ATOM 181 CA ARG A 12 2.388 11.645 12.256 1.00 0.00 C ATOM 182 C ARG A 12 2.261 10.308 12.984 1.00 0.00 C ATOM 183 O ARG A 12 3.221 9.834 13.595 1.00 0.00 O ATOM 184 CB ARG A 12 1.699 12.761 13.054 1.00 0.00 C ATOM 185 CG ARG A 12 0.179 12.679 13.066 1.00 0.00 C ATOM 186 CD ARG A 12 -0.453 14.058 12.961 1.00 0.00 C ATOM 187 NE ARG A 12 -1.798 14.002 12.389 1.00 0.00 N ATOM 188 CZ ARG A 12 -2.885 13.634 13.070 1.00 0.00 C ATOM 189 NH1 ARG A 12 -2.795 13.288 14.354 1.00 0.00 N ATOM 190 NH2 ARG A 12 -4.069 13.606 12.464 1.00 0.00 N ATOM 0 H ARG A 12 0.951 11.097 10.827 1.00 0.00 H new ATOM 0 HA ARG A 12 3.449 11.880 12.176 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.060 12.732 14.082 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.996 13.724 12.639 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.160 12.058 12.237 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.153 12.194 13.984 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.499 14.512 13.951 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.177 14.699 12.345 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.912 14.260 11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.890 13.303 14.824 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.631 13.008 14.867 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.145 13.866 11.480 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.901 13.325 12.983 1.00 0.00 H new ATOM 204 N ALA A 13 1.079 9.704 12.912 1.00 0.00 N ATOM 205 CA ALA A 13 0.834 8.420 13.560 1.00 0.00 C ATOM 206 C ALA A 13 0.255 7.397 12.579 1.00 0.00 C ATOM 207 O ALA A 13 -0.641 6.624 12.929 1.00 0.00 O ATOM 208 CB ALA A 13 -0.092 8.603 14.756 1.00 0.00 C ATOM 0 H ALA A 13 0.275 10.083 12.411 1.00 0.00 H new ATOM 0 HA ALA A 13 1.790 8.032 13.911 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.267 7.638 15.231 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.370 9.282 15.473 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.042 9.020 14.421 1.00 0.00 H new ATOM 214 N GLY A 14 0.775 7.390 11.349 1.00 0.00 N ATOM 215 CA GLY A 14 0.298 6.451 10.342 1.00 0.00 C ATOM 216 C GLY A 14 0.071 7.094 8.985 1.00 0.00 C ATOM 217 O GLY A 14 0.394 8.268 8.784 1.00 0.00 O ATOM 0 H GLY A 14 1.516 8.016 11.033 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.021 5.642 10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.634 6.003 10.685 1.00 0.00 H new ATOM 221 N TYR A 15 -0.484 6.318 8.052 1.00 0.00 N ATOM 222 CA TYR A 15 -0.755 6.807 6.700 1.00 0.00 C ATOM 223 C TYR A 15 -2.200 7.272 6.554 1.00 0.00 C ATOM 224 O TYR A 15 -2.467 8.471 6.451 1.00 0.00 O ATOM 225 CB TYR A 15 -0.458 5.713 5.668 1.00 0.00 C ATOM 226 CG TYR A 15 1.014 5.542 5.366 1.00 0.00 C ATOM 227 CD1 TYR A 15 1.833 6.645 5.154 1.00 0.00 C ATOM 228 CD2 TYR A 15 1.586 4.278 5.284 1.00 0.00 C ATOM 229 CE1 TYR A 15 3.174 6.492 4.874 1.00 0.00 C ATOM 230 CE2 TYR A 15 2.928 4.119 5.003 1.00 0.00 C ATOM 231 CZ TYR A 15 3.716 5.229 4.799 1.00 0.00 C ATOM 232 OH TYR A 15 5.052 5.074 4.517 1.00 0.00 O ATOM 0 H TYR A 15 -0.755 5.347 8.209 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.101 7.661 6.522 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.857 4.766 6.031 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.984 5.947 4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.412 7.638 5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.970 3.405 5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.797 7.360 4.714 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.357 3.130 4.944 1.00 0.00 H new ATOM 0 HH TYR A 15 5.579 5.242 5.326 1.00 0.00 H new ATOM 242 N GLY A 16 -3.126 6.318 6.534 1.00 0.00 N ATOM 243 CA GLY A 16 -4.535 6.643 6.389 1.00 0.00 C ATOM 244 C GLY A 16 -5.347 5.496 5.812 1.00 0.00 C ATOM 245 O GLY A 16 -6.476 5.252 6.236 1.00 0.00 O ATOM 0 H GLY A 16 -2.925 5.321 6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.942 6.917 7.362 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.637 7.515 5.744 1.00 0.00 H new ATOM 249 N PHE A 17 -4.765 4.792 4.840 1.00 0.00 N ATOM 250 CA PHE A 17 -5.428 3.663 4.197 1.00 0.00 C ATOM 251 C PHE A 17 -5.509 2.460 5.141 1.00 0.00 C ATOM 252 O PHE A 17 -5.049 2.524 6.282 1.00 0.00 O ATOM 253 CB PHE A 17 -4.688 3.278 2.907 1.00 0.00 C ATOM 254 CG PHE A 17 -3.293 2.757 3.139 1.00 0.00 C ATOM 255 CD1 PHE A 17 -3.076 1.411 3.398 1.00 0.00 C ATOM 256 CD2 PHE A 17 -2.204 3.613 3.109 1.00 0.00 C ATOM 257 CE1 PHE A 17 -1.798 0.932 3.618 1.00 0.00 C ATOM 258 CE2 PHE A 17 -0.925 3.139 3.331 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.722 1.796 3.586 1.00 0.00 C ATOM 0 H PHE A 17 -3.830 4.988 4.481 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.445 3.965 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.266 2.519 2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.637 4.150 2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.914 0.731 3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.357 4.663 2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.641 -0.118 3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.085 3.817 3.305 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.277 1.423 3.760 1.00 0.00 H new ATOM 269 N THR A 18 -6.099 1.369 4.656 1.00 0.00 N ATOM 270 CA THR A 18 -6.246 0.155 5.458 1.00 0.00 C ATOM 271 C THR A 18 -5.881 -1.094 4.651 1.00 0.00 C ATOM 272 O THR A 18 -6.030 -1.121 3.428 1.00 0.00 O ATOM 273 CB THR A 18 -7.681 0.037 5.989 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.210 1.313 6.309 1.00 0.00 O ATOM 275 CG2 THR A 18 -7.794 -0.827 7.229 1.00 0.00 C ATOM 0 H THR A 18 -6.483 1.300 3.713 1.00 0.00 H new ATOM 0 HA THR A 18 -5.558 0.227 6.300 1.00 0.00 H new ATOM 0 HB THR A 18 -8.244 -0.433 5.183 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.126 1.213 6.644 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.835 -0.867 7.551 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.445 -1.835 7.004 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.184 -0.401 8.026 1.00 0.00 H new ATOM 283 N LEU A 19 -5.401 -2.123 5.350 1.00 0.00 N ATOM 284 CA LEU A 19 -5.008 -3.380 4.716 1.00 0.00 C ATOM 285 C LEU A 19 -5.738 -4.564 5.351 1.00 0.00 C ATOM 286 O LEU A 19 -5.764 -4.700 6.577 1.00 0.00 O ATOM 287 CB LEU A 19 -3.494 -3.581 4.844 1.00 0.00 C ATOM 288 CG LEU A 19 -2.716 -3.555 3.526 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.219 -3.551 3.795 1.00 0.00 C ATOM 290 CD2 LEU A 19 -3.102 -4.742 2.655 1.00 0.00 C ATOM 0 H LEU A 19 -5.275 -2.109 6.362 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.281 -3.329 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.095 -2.805 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.311 -4.537 5.336 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.972 -2.641 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.679 -3.532 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.957 -2.669 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.947 -4.449 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.539 -4.707 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.875 -5.669 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.169 -4.701 2.437 1.00 0.00 H new ATOM 302 N SER A 20 -6.322 -5.424 4.514 1.00 0.00 N ATOM 303 CA SER A 20 -7.046 -6.597 5.002 1.00 0.00 C ATOM 304 C SER A 20 -6.942 -7.769 4.024 1.00 0.00 C ATOM 305 O SER A 20 -6.684 -7.575 2.833 1.00 0.00 O ATOM 306 CB SER A 20 -8.520 -6.255 5.242 1.00 0.00 C ATOM 307 OG SER A 20 -9.109 -5.677 4.085 1.00 0.00 O ATOM 0 H SER A 20 -6.307 -5.330 3.498 1.00 0.00 H new ATOM 0 HA SER A 20 -6.586 -6.896 5.944 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.065 -7.158 5.518 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.604 -5.563 6.080 1.00 0.00 H new ATOM 0 HG SER A 20 -10.050 -5.470 4.265 1.00 0.00 H new ATOM 313 N GLY A 21 -7.148 -8.983 4.539 1.00 0.00 N ATOM 314 CA GLY A 21 -7.080 -10.178 3.707 1.00 0.00 C ATOM 315 C GLY A 21 -6.121 -11.229 4.251 1.00 0.00 C ATOM 316 O GLY A 21 -6.275 -12.418 3.968 1.00 0.00 O ATOM 0 H GLY A 21 -7.361 -9.160 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.076 -10.612 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.769 -9.896 2.701 1.00 0.00 H new ATOM 320 N GLN A 22 -5.124 -10.778 5.024 1.00 0.00 N ATOM 321 CA GLN A 22 -4.111 -11.662 5.622 1.00 0.00 C ATOM 322 C GLN A 22 -3.280 -12.405 4.560 1.00 0.00 C ATOM 323 O GLN A 22 -2.563 -13.358 4.877 1.00 0.00 O ATOM 324 CB GLN A 22 -4.765 -12.656 6.604 1.00 0.00 C ATOM 325 CG GLN A 22 -5.206 -13.978 5.985 1.00 0.00 C ATOM 326 CD GLN A 22 -4.600 -15.181 6.686 1.00 0.00 C ATOM 327 OE1 GLN A 22 -5.316 -16.071 7.147 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.273 -15.215 6.769 1.00 0.00 N ATOM 0 H GLN A 22 -4.996 -9.792 5.253 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.420 -11.027 6.177 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.060 -12.866 7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.633 -12.177 7.058 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.293 -14.049 6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.923 -13.995 4.932 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.718 -14.456 6.373 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.811 -16.000 7.228 1.00 0.00 H new ATOM 337 N ALA A 23 -3.366 -11.953 3.306 1.00 0.00 N ATOM 338 CA ALA A 23 -2.620 -12.562 2.204 1.00 0.00 C ATOM 339 C ALA A 23 -2.658 -11.653 0.976 1.00 0.00 C ATOM 340 O ALA A 23 -1.628 -11.112 0.572 1.00 0.00 O ATOM 341 CB ALA A 23 -3.165 -13.949 1.878 1.00 0.00 C ATOM 0 H ALA A 23 -3.949 -11.163 3.029 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.581 -12.680 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.594 -14.380 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.078 -14.590 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.213 -13.869 1.589 1.00 0.00 H new ATOM 347 N PRO A 24 -3.855 -11.448 0.373 1.00 0.00 N ATOM 348 CA PRO A 24 -4.006 -10.577 -0.797 1.00 0.00 C ATOM 349 C PRO A 24 -3.921 -9.104 -0.408 1.00 0.00 C ATOM 350 O PRO A 24 -4.942 -8.445 -0.192 1.00 0.00 O ATOM 351 CB PRO A 24 -5.402 -10.924 -1.317 1.00 0.00 C ATOM 352 CG PRO A 24 -6.154 -11.354 -0.108 1.00 0.00 C ATOM 353 CD PRO A 24 -5.151 -12.029 0.791 1.00 0.00 C ATOM 0 HA PRO A 24 -3.222 -10.727 -1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.873 -10.064 -1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.362 -11.718 -2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.611 -10.499 0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.961 -12.037 -0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.358 -11.830 1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.164 -13.111 0.663 1.00 0.00 H new ATOM 361 N CYS A 25 -2.693 -8.600 -0.303 1.00 0.00 N ATOM 362 CA CYS A 25 -2.459 -7.207 0.074 1.00 0.00 C ATOM 363 C CYS A 25 -3.265 -6.265 -0.815 1.00 0.00 C ATOM 364 O CYS A 25 -2.964 -6.106 -1.998 1.00 0.00 O ATOM 365 CB CYS A 25 -0.970 -6.867 -0.015 1.00 0.00 C ATOM 366 SG CYS A 25 0.098 -7.947 0.964 1.00 0.00 S ATOM 0 H CYS A 25 -1.843 -9.137 -0.474 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.786 -7.077 1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.659 -6.917 -1.059 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.824 -5.837 0.312 1.00 0.00 H new ATOM 0 HG CYS A 25 0.660 -8.823 0.185 1.00 0.00 H new ATOM 372 N VAL A 26 -4.300 -5.657 -0.243 1.00 0.00 N ATOM 373 CA VAL A 26 -5.157 -4.743 -0.993 1.00 0.00 C ATOM 374 C VAL A 26 -5.612 -3.570 -0.133 1.00 0.00 C ATOM 375 O VAL A 26 -5.918 -3.732 1.050 1.00 0.00 O ATOM 376 CB VAL A 26 -6.390 -5.478 -1.560 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.231 -6.079 -0.440 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.224 -4.546 -2.427 1.00 0.00 C ATOM 0 H VAL A 26 -4.565 -5.780 0.734 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.562 -4.356 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.036 -6.296 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.093 -6.591 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.629 -6.791 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.573 -5.285 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.087 -5.086 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.564 -3.700 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.619 -4.183 -3.258 1.00 0.00 H new ATOM 388 N LEU A 27 -5.664 -2.387 -0.743 1.00 0.00 N ATOM 389 CA LEU A 27 -6.094 -1.183 -0.038 1.00 0.00 C ATOM 390 C LEU A 27 -7.614 -1.144 0.069 1.00 0.00 C ATOM 391 O LEU A 27 -8.299 -0.647 -0.829 1.00 0.00 O ATOM 392 CB LEU A 27 -5.582 0.072 -0.751 1.00 0.00 C ATOM 393 CG LEU A 27 -4.238 0.605 -0.247 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.092 -0.037 -1.010 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.186 2.120 -0.371 1.00 0.00 C ATOM 0 H LEU A 27 -5.414 -2.238 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.672 -1.206 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.493 -0.145 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.329 0.859 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.135 0.345 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.144 0.353 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.120 -1.117 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.188 0.192 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.224 2.482 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.310 2.404 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.987 2.561 0.222 1.00 0.00 H new ATOM 407 N SER A 28 -8.136 -1.683 1.172 1.00 0.00 N ATOM 408 CA SER A 28 -9.581 -1.727 1.412 1.00 0.00 C ATOM 409 C SER A 28 -10.226 -0.361 1.184 1.00 0.00 C ATOM 410 O SER A 28 -11.291 -0.264 0.572 1.00 0.00 O ATOM 411 CB SER A 28 -9.874 -2.211 2.836 1.00 0.00 C ATOM 412 OG SER A 28 -8.802 -2.990 3.346 1.00 0.00 O ATOM 0 H SER A 28 -7.577 -2.098 1.918 1.00 0.00 H new ATOM 0 HA SER A 28 -10.012 -2.430 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.045 -1.353 3.486 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.790 -2.802 2.841 1.00 0.00 H new ATOM 0 HG SER A 28 -9.116 -3.900 3.527 1.00 0.00 H new ATOM 418 N CYS A 29 -9.569 0.690 1.674 1.00 0.00 N ATOM 419 CA CYS A 29 -10.068 2.055 1.524 1.00 0.00 C ATOM 420 C CYS A 29 -9.023 3.072 1.979 1.00 0.00 C ATOM 421 O CYS A 29 -8.134 2.751 2.770 1.00 0.00 O ATOM 422 CB CYS A 29 -11.361 2.249 2.324 1.00 0.00 C ATOM 423 SG CYS A 29 -12.391 3.617 1.743 1.00 0.00 S ATOM 0 H CYS A 29 -8.686 0.621 2.180 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.277 2.218 0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.942 1.328 2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.106 2.419 3.370 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.459 3.699 2.479 1.00 0.00 H new ATOM 429 N VAL A 30 -9.141 4.299 1.475 1.00 0.00 N ATOM 430 CA VAL A 30 -8.212 5.370 1.830 1.00 0.00 C ATOM 431 C VAL A 30 -8.958 6.540 2.474 1.00 0.00 C ATOM 432 O VAL A 30 -10.155 6.724 2.243 1.00 0.00 O ATOM 433 CB VAL A 30 -7.422 5.879 0.600 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.214 6.691 1.039 1.00 0.00 C ATOM 435 CG2 VAL A 30 -6.990 4.717 -0.286 1.00 0.00 C ATOM 0 H VAL A 30 -9.871 4.576 0.819 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.502 4.952 2.544 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.080 6.525 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.671 7.040 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.545 7.548 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.558 6.068 1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.437 5.100 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.353 4.041 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.871 4.178 -0.634 1.00 0.00 H new ATOM 445 N MET A 31 -8.245 7.327 3.278 1.00 0.00 N ATOM 446 CA MET A 31 -8.835 8.471 3.951 1.00 0.00 C ATOM 447 C MET A 31 -8.546 9.751 3.182 1.00 0.00 C ATOM 448 O MET A 31 -7.443 10.297 3.242 1.00 0.00 O ATOM 449 CB MET A 31 -8.312 8.597 5.382 1.00 0.00 C ATOM 450 CG MET A 31 -8.870 7.549 6.333 1.00 0.00 C ATOM 451 SD MET A 31 -9.356 8.237 7.929 1.00 0.00 S ATOM 452 CE MET A 31 -10.557 9.464 7.418 1.00 0.00 C ATOM 0 H MET A 31 -7.254 7.188 3.476 1.00 0.00 H new ATOM 0 HA MET A 31 -9.913 8.314 3.989 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.225 8.521 5.370 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.558 9.588 5.763 1.00 0.00 H new ATOM 0 HG2 MET A 31 -9.733 7.070 5.871 1.00 0.00 H new ATOM 0 HG3 MET A 31 -8.121 6.773 6.490 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.283 9.617 8.216 1.00 0.00 H new ATOM 0 HE2 MET A 31 -10.049 10.404 7.205 1.00 0.00 H new ATOM 0 HE3 MET A 31 -11.071 9.119 6.521 1.00 0.00 H new ATOM 462 N ARG A 32 -9.554 10.208 2.460 1.00 0.00 N ATOM 463 CA ARG A 32 -9.457 11.426 1.659 1.00 0.00 C ATOM 464 C ARG A 32 -8.882 12.577 2.482 1.00 0.00 C ATOM 465 O ARG A 32 -9.429 12.939 3.525 1.00 0.00 O ATOM 466 CB ARG A 32 -10.832 11.808 1.109 1.00 0.00 C ATOM 467 CG ARG A 32 -11.128 11.208 -0.256 1.00 0.00 C ATOM 468 CD ARG A 32 -12.575 10.747 -0.366 1.00 0.00 C ATOM 469 NE ARG A 32 -13.291 11.424 -1.445 1.00 0.00 N ATOM 470 CZ ARG A 32 -13.726 12.687 -1.380 1.00 0.00 C ATOM 471 NH1 ARG A 32 -13.510 13.419 -0.290 1.00 0.00 N ATOM 472 NH2 ARG A 32 -14.376 13.219 -2.409 1.00 0.00 N ATOM 0 H ARG A 32 -10.464 9.749 2.409 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.782 11.232 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.599 11.485 1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.899 12.894 1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.921 11.946 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.462 10.364 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.599 9.671 -0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.086 10.932 0.579 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.470 10.900 -2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.010 13.018 0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.845 14.382 -0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.543 12.664 -3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.708 14.182 -2.360 1.00 0.00 H new ATOM 486 N GLY A 33 -7.767 13.132 2.012 1.00 0.00 N ATOM 487 CA GLY A 33 -7.119 14.223 2.718 1.00 0.00 C ATOM 488 C GLY A 33 -5.772 13.816 3.298 1.00 0.00 C ATOM 489 O GLY A 33 -4.945 14.673 3.616 1.00 0.00 O ATOM 0 H GLY A 33 -7.300 12.844 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.980 15.062 2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.769 14.569 3.522 1.00 0.00 H new ATOM 493 N SER A 34 -5.546 12.506 3.426 1.00 0.00 N ATOM 494 CA SER A 34 -4.290 11.990 3.960 1.00 0.00 C ATOM 495 C SER A 34 -3.222 11.934 2.862 1.00 0.00 C ATOM 496 O SER A 34 -3.535 12.058 1.677 1.00 0.00 O ATOM 497 CB SER A 34 -4.503 10.595 4.562 1.00 0.00 C ATOM 498 OG SER A 34 -4.078 10.547 5.915 1.00 0.00 O ATOM 0 H SER A 34 -6.219 11.785 3.166 1.00 0.00 H new ATOM 0 HA SER A 34 -3.946 12.664 4.745 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.558 10.327 4.500 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.952 9.857 3.979 1.00 0.00 H new ATOM 0 HG SER A 34 -3.674 9.674 6.100 1.00 0.00 H new ATOM 504 N PRO A 35 -1.944 11.743 3.246 1.00 0.00 N ATOM 505 CA PRO A 35 -0.819 11.669 2.294 1.00 0.00 C ATOM 506 C PRO A 35 -1.038 10.639 1.181 1.00 0.00 C ATOM 507 O PRO A 35 -0.491 10.779 0.086 1.00 0.00 O ATOM 508 CB PRO A 35 0.364 11.261 3.173 1.00 0.00 C ATOM 509 CG PRO A 35 0.003 11.736 4.535 1.00 0.00 C ATOM 510 CD PRO A 35 -1.489 11.586 4.641 1.00 0.00 C ATOM 0 HA PRO A 35 -0.679 12.614 1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.516 10.182 3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.291 11.718 2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.510 11.149 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.303 12.774 4.679 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.768 10.614 5.049 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.924 12.342 5.294 1.00 0.00 H new ATOM 518 N ALA A 36 -1.839 9.611 1.463 1.00 0.00 N ATOM 519 CA ALA A 36 -2.128 8.569 0.478 1.00 0.00 C ATOM 520 C ALA A 36 -2.913 9.140 -0.703 1.00 0.00 C ATOM 521 O ALA A 36 -2.635 8.820 -1.859 1.00 0.00 O ATOM 522 CB ALA A 36 -2.896 7.423 1.117 1.00 0.00 C ATOM 0 H ALA A 36 -2.298 9.478 2.364 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.178 8.185 0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.101 6.659 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.302 6.991 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.837 7.796 1.521 1.00 0.00 H new ATOM 528 N ASP A 37 -3.890 9.993 -0.401 1.00 0.00 N ATOM 529 CA ASP A 37 -4.718 10.619 -1.432 1.00 0.00 C ATOM 530 C ASP A 37 -3.922 11.648 -2.238 1.00 0.00 C ATOM 531 O ASP A 37 -4.241 11.914 -3.396 1.00 0.00 O ATOM 532 CB ASP A 37 -5.946 11.278 -0.804 1.00 0.00 C ATOM 533 CG ASP A 37 -7.166 10.378 -0.836 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.308 9.540 0.078 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.980 10.514 -1.773 1.00 0.00 O ATOM 0 H ASP A 37 -4.129 10.268 0.552 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.046 9.835 -2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.723 11.546 0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.168 12.205 -1.333 1.00 0.00 H new ATOM 540 N PHE A 38 -2.886 12.226 -1.622 1.00 0.00 N ATOM 541 CA PHE A 38 -2.046 13.224 -2.289 1.00 0.00 C ATOM 542 C PHE A 38 -1.466 12.688 -3.606 1.00 0.00 C ATOM 543 O PHE A 38 -1.153 13.464 -4.508 1.00 0.00 O ATOM 544 CB PHE A 38 -0.902 13.660 -1.369 1.00 0.00 C ATOM 545 CG PHE A 38 -1.314 14.625 -0.288 1.00 0.00 C ATOM 546 CD1 PHE A 38 -2.575 14.556 0.289 1.00 0.00 C ATOM 547 CD2 PHE A 38 -0.435 15.601 0.154 1.00 0.00 C ATOM 548 CE1 PHE A 38 -2.947 15.440 1.282 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.803 16.486 1.147 1.00 0.00 C ATOM 550 CZ PHE A 38 -2.061 16.405 1.711 1.00 0.00 C ATOM 0 H PHE A 38 -2.609 12.019 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.680 14.081 -2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.467 12.775 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.120 14.120 -1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.273 13.802 -0.043 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.550 15.670 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.931 15.376 1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.108 17.241 1.483 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.350 17.097 2.488 1.00 0.00 H new ATOM 560 N VAL A 39 -1.328 11.364 -3.711 1.00 0.00 N ATOM 561 CA VAL A 39 -0.786 10.745 -4.921 1.00 0.00 C ATOM 562 C VAL A 39 -1.896 10.430 -5.923 1.00 0.00 C ATOM 563 O VAL A 39 -1.680 10.481 -7.136 1.00 0.00 O ATOM 564 CB VAL A 39 -0.024 9.438 -4.600 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.698 8.923 -5.836 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.952 9.649 -3.450 1.00 0.00 C ATOM 0 H VAL A 39 -1.583 10.704 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.093 11.466 -5.356 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.750 8.686 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.228 8.003 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.028 8.724 -6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.411 9.672 -6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.476 8.716 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.674 10.419 -3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.405 9.963 -2.561 1.00 0.00 H new ATOM 576 N GLY A 40 -3.079 10.105 -5.409 1.00 0.00 N ATOM 577 CA GLY A 40 -4.203 9.784 -6.267 1.00 0.00 C ATOM 578 C GLY A 40 -4.523 8.302 -6.272 1.00 0.00 C ATOM 579 O GLY A 40 -4.813 7.729 -7.324 1.00 0.00 O ATOM 0 H GLY A 40 -3.278 10.059 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.080 10.341 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.984 10.109 -7.284 1.00 0.00 H new ATOM 583 N LEU A 41 -4.474 7.680 -5.095 1.00 0.00 N ATOM 584 CA LEU A 41 -4.768 6.260 -4.970 1.00 0.00 C ATOM 585 C LEU A 41 -6.272 6.017 -5.083 1.00 0.00 C ATOM 586 O LEU A 41 -7.045 6.953 -5.295 1.00 0.00 O ATOM 587 CB LEU A 41 -4.239 5.715 -3.641 1.00 0.00 C ATOM 588 CG LEU A 41 -2.916 4.950 -3.738 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.385 4.613 -2.351 1.00 0.00 C ATOM 590 CD2 LEU A 41 -3.091 3.686 -4.571 1.00 0.00 C ATOM 0 H LEU A 41 -4.233 8.140 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.267 5.732 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.111 6.547 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.992 5.056 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.185 5.589 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.445 4.070 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.219 5.534 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.111 3.994 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.141 3.155 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.838 3.044 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.419 3.955 -5.575 1.00 0.00 H new ATOM 602 N ARG A 42 -6.681 4.760 -4.950 1.00 0.00 N ATOM 603 CA ARG A 42 -8.091 4.403 -5.050 1.00 0.00 C ATOM 604 C ARG A 42 -8.355 3.011 -4.481 1.00 0.00 C ATOM 605 O ARG A 42 -7.762 2.031 -4.933 1.00 0.00 O ATOM 606 CB ARG A 42 -8.544 4.460 -6.515 1.00 0.00 C ATOM 607 CG ARG A 42 -7.554 3.834 -7.492 1.00 0.00 C ATOM 608 CD ARG A 42 -7.999 4.030 -8.934 1.00 0.00 C ATOM 609 NE ARG A 42 -8.827 2.924 -9.411 1.00 0.00 N ATOM 610 CZ ARG A 42 -9.676 3.011 -10.441 1.00 0.00 C ATOM 611 NH1 ARG A 42 -9.803 4.149 -11.118 1.00 0.00 N ATOM 612 NH2 ARG A 42 -10.398 1.954 -10.797 1.00 0.00 N ATOM 0 H ARG A 42 -6.057 3.973 -4.773 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.661 5.123 -4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.503 3.951 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.707 5.501 -6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.569 4.279 -7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.456 2.769 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.558 4.962 -9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.122 4.127 -9.573 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.753 2.029 -8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.250 4.964 -10.853 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.453 4.206 -11.902 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.305 1.077 -10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.046 2.020 -11.582 1.00 0.00 H new ATOM 626 N ALA A 43 -9.253 2.936 -3.496 1.00 0.00 N ATOM 627 CA ALA A 43 -9.613 1.663 -2.866 1.00 0.00 C ATOM 628 C ALA A 43 -9.890 0.594 -3.916 1.00 0.00 C ATOM 629 O ALA A 43 -10.716 0.792 -4.810 1.00 0.00 O ATOM 630 CB ALA A 43 -10.833 1.839 -1.977 1.00 0.00 C ATOM 0 H ALA A 43 -9.746 3.744 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.769 1.340 -2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.088 0.885 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.614 2.571 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.673 2.188 -2.577 1.00 0.00 H new ATOM 636 N GLY A 44 -9.191 -0.530 -3.806 1.00 0.00 N ATOM 637 CA GLY A 44 -9.365 -1.613 -4.755 1.00 0.00 C ATOM 638 C GLY A 44 -8.059 -2.027 -5.415 1.00 0.00 C ATOM 639 O GLY A 44 -7.916 -3.173 -5.848 1.00 0.00 O ATOM 0 H GLY A 44 -8.504 -0.711 -3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.798 -2.473 -4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.075 -1.307 -5.523 1.00 0.00 H new ATOM 643 N ASP A 45 -7.104 -1.097 -5.483 1.00 0.00 N ATOM 644 CA ASP A 45 -5.805 -1.369 -6.085 1.00 0.00 C ATOM 645 C ASP A 45 -5.123 -2.554 -5.401 1.00 0.00 C ATOM 646 O ASP A 45 -4.914 -2.552 -4.186 1.00 0.00 O ATOM 647 CB ASP A 45 -4.920 -0.122 -6.005 1.00 0.00 C ATOM 648 CG ASP A 45 -4.676 0.349 -4.580 1.00 0.00 C ATOM 649 OD1 ASP A 45 -5.650 0.727 -3.901 1.00 0.00 O ATOM 650 OD2 ASP A 45 -3.507 0.343 -4.146 1.00 0.00 O ATOM 0 H ASP A 45 -7.210 -0.147 -5.126 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.957 -1.628 -7.133 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.962 -0.333 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.386 0.684 -6.572 1.00 0.00 H new ATOM 655 N GLN A 46 -4.795 -3.571 -6.198 1.00 0.00 N ATOM 656 CA GLN A 46 -4.149 -4.778 -5.685 1.00 0.00 C ATOM 657 C GLN A 46 -2.664 -4.534 -5.415 1.00 0.00 C ATOM 658 O GLN A 46 -1.902 -4.231 -6.332 1.00 0.00 O ATOM 659 CB GLN A 46 -4.317 -5.930 -6.685 1.00 0.00 C ATOM 660 CG GLN A 46 -5.770 -6.302 -6.947 1.00 0.00 C ATOM 661 CD GLN A 46 -6.248 -5.877 -8.327 1.00 0.00 C ATOM 662 OE1 GLN A 46 -5.588 -5.099 -9.016 1.00 0.00 O ATOM 663 NE2 GLN A 46 -7.404 -6.386 -8.737 1.00 0.00 N ATOM 0 H GLN A 46 -4.967 -3.582 -7.203 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.628 -5.046 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.846 -5.653 -7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.788 -6.806 -6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.889 -7.381 -6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.401 -5.837 -6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.921 -7.028 -8.136 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.775 -6.135 -9.653 1.00 0.00 H new ATOM 672 N ILE A 47 -2.260 -4.668 -4.152 1.00 0.00 N ATOM 673 CA ILE A 47 -0.865 -4.464 -3.766 1.00 0.00 C ATOM 674 C ILE A 47 -0.034 -5.714 -4.046 1.00 0.00 C ATOM 675 O ILE A 47 -0.326 -6.792 -3.525 1.00 0.00 O ATOM 676 CB ILE A 47 -0.727 -4.101 -2.271 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.739 -3.023 -1.875 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.692 -3.638 -1.970 1.00 0.00 C ATOM 679 CD1 ILE A 47 -1.955 -2.919 -0.381 1.00 0.00 C ATOM 0 H ILE A 47 -2.878 -4.917 -3.380 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.496 -3.632 -4.365 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.936 -4.993 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.398 -2.059 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.693 -3.236 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.776 -3.385 -0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.394 -4.437 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.924 -2.760 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.684 -2.136 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.326 -3.871 0.000 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.011 -2.676 0.107 1.00 0.00 H new ATOM 691 N LEU A 48 1.002 -5.562 -4.868 1.00 0.00 N ATOM 692 CA LEU A 48 1.873 -6.683 -5.215 1.00 0.00 C ATOM 693 C LEU A 48 3.245 -6.541 -4.550 1.00 0.00 C ATOM 694 O LEU A 48 3.809 -7.522 -4.063 1.00 0.00 O ATOM 695 CB LEU A 48 2.018 -6.789 -6.737 1.00 0.00 C ATOM 696 CG LEU A 48 0.692 -6.915 -7.502 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.240 -5.559 -8.022 1.00 0.00 C ATOM 698 CD2 LEU A 48 0.822 -7.913 -8.646 1.00 0.00 C ATOM 0 H LEU A 48 1.258 -4.677 -5.305 1.00 0.00 H new ATOM 0 HA LEU A 48 1.416 -7.600 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.549 -5.909 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.639 -7.654 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.065 -7.285 -6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.701 -5.671 -8.561 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.099 -4.876 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.997 -5.156 -8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.129 -7.987 -9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.596 -7.577 -9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.092 -8.891 -8.247 1.00 0.00 H new ATOM 710 N ALA A 49 3.771 -5.317 -4.527 1.00 0.00 N ATOM 711 CA ALA A 49 5.071 -5.041 -3.914 1.00 0.00 C ATOM 712 C ALA A 49 4.939 -4.015 -2.789 1.00 0.00 C ATOM 713 O ALA A 49 4.291 -2.980 -2.956 1.00 0.00 O ATOM 714 CB ALA A 49 6.055 -4.546 -4.964 1.00 0.00 C ATOM 0 H ALA A 49 3.315 -4.497 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 49 5.448 -5.970 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.018 -4.345 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.179 -5.308 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.674 -3.631 -5.417 1.00 0.00 H new ATOM 720 N VAL A 50 5.558 -4.306 -1.643 1.00 0.00 N ATOM 721 CA VAL A 50 5.519 -3.406 -0.489 1.00 0.00 C ATOM 722 C VAL A 50 6.906 -3.274 0.122 1.00 0.00 C ATOM 723 O VAL A 50 7.438 -4.236 0.676 1.00 0.00 O ATOM 724 CB VAL A 50 4.534 -3.891 0.601 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.252 -2.780 1.603 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.240 -4.387 -0.025 1.00 0.00 C ATOM 0 H VAL A 50 6.094 -5.160 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 50 5.172 -2.439 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 50 4.997 -4.722 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.557 -3.141 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.183 -2.475 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.813 -1.927 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.562 -4.723 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.773 -3.577 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.456 -5.217 -0.698 1.00 0.00 H new ATOM 736 N ASN A 51 7.498 -2.088 -0.008 1.00 0.00 N ATOM 737 CA ASN A 51 8.843 -1.830 0.504 1.00 0.00 C ATOM 738 C ASN A 51 9.880 -2.466 -0.425 1.00 0.00 C ATOM 739 O ASN A 51 10.939 -2.913 0.011 1.00 0.00 O ATOM 740 CB ASN A 51 8.995 -2.362 1.939 1.00 0.00 C ATOM 741 CG ASN A 51 10.148 -1.716 2.688 1.00 0.00 C ATOM 742 OD1 ASN A 51 11.079 -2.396 3.122 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.089 -0.398 2.852 1.00 0.00 N ATOM 0 H ASN A 51 7.065 -1.286 -0.466 1.00 0.00 H new ATOM 0 HA ASN A 51 9.008 -0.753 0.532 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.069 -2.187 2.486 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.147 -3.441 1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.833 0.087 3.353 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.300 0.128 2.476 1.00 0.00 H new ATOM 750 N GLU A 52 9.541 -2.493 -1.721 1.00 0.00 N ATOM 751 CA GLU A 52 10.394 -3.055 -2.771 1.00 0.00 C ATOM 752 C GLU A 52 10.373 -4.592 -2.796 1.00 0.00 C ATOM 753 O GLU A 52 10.987 -5.205 -3.672 1.00 0.00 O ATOM 754 CB GLU A 52 11.836 -2.516 -2.664 1.00 0.00 C ATOM 755 CG GLU A 52 12.837 -3.455 -1.993 1.00 0.00 C ATOM 756 CD GLU A 52 14.234 -3.320 -2.569 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.820 -2.222 -2.457 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.743 -4.312 -3.134 1.00 0.00 O ATOM 0 H GLU A 52 8.658 -2.121 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 52 9.976 -2.725 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.195 -2.286 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.815 -1.578 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.866 -3.246 -0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.498 -4.485 -2.107 1.00 0.00 H new ATOM 765 N ILE A 53 9.663 -5.216 -1.849 1.00 0.00 N ATOM 766 CA ILE A 53 9.581 -6.673 -1.803 1.00 0.00 C ATOM 767 C ILE A 53 8.143 -7.154 -2.032 1.00 0.00 C ATOM 768 O ILE A 53 7.214 -6.716 -1.350 1.00 0.00 O ATOM 769 CB ILE A 53 10.113 -7.237 -0.465 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.325 -6.676 0.722 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.597 -6.925 -0.315 1.00 0.00 C ATOM 772 CD1 ILE A 53 8.763 -7.748 1.630 1.00 0.00 C ATOM 0 H ILE A 53 9.143 -4.737 -1.113 1.00 0.00 H new ATOM 0 HA ILE A 53 10.213 -7.049 -2.608 1.00 0.00 H new ATOM 0 HB ILE A 53 9.980 -8.319 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.975 -6.022 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.506 -6.061 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.960 -7.327 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.149 -7.379 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.745 -5.845 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.217 -7.281 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.088 -8.388 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.579 -8.348 2.033 1.00 0.00 H new ATOM 784 N ASN A 54 7.974 -8.044 -3.011 1.00 0.00 N ATOM 785 CA ASN A 54 6.665 -8.586 -3.357 1.00 0.00 C ATOM 786 C ASN A 54 6.086 -9.418 -2.217 1.00 0.00 C ATOM 787 O ASN A 54 6.784 -10.225 -1.598 1.00 0.00 O ATOM 788 CB ASN A 54 6.754 -9.427 -4.638 1.00 0.00 C ATOM 789 CG ASN A 54 7.679 -10.629 -4.501 1.00 0.00 C ATOM 790 OD1 ASN A 54 8.845 -10.492 -4.133 1.00 0.00 O ATOM 791 ND2 ASN A 54 7.162 -11.816 -4.810 1.00 0.00 N ATOM 0 H ASN A 54 8.738 -8.406 -3.582 1.00 0.00 H new ATOM 0 HA ASN A 54 5.994 -7.745 -3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.756 -9.773 -4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.105 -8.797 -5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.738 -12.655 -4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.190 -11.886 -5.111 1.00 0.00 H new ATOM 798 N VAL A 55 4.802 -9.208 -1.949 1.00 0.00 N ATOM 799 CA VAL A 55 4.100 -9.921 -0.886 1.00 0.00 C ATOM 800 C VAL A 55 2.742 -10.429 -1.374 1.00 0.00 C ATOM 801 O VAL A 55 1.693 -10.078 -0.828 1.00 0.00 O ATOM 802 CB VAL A 55 3.910 -9.020 0.356 1.00 0.00 C ATOM 803 CG1 VAL A 55 5.232 -8.842 1.094 1.00 0.00 C ATOM 804 CG2 VAL A 55 3.331 -7.668 -0.039 1.00 0.00 C ATOM 0 H VAL A 55 4.220 -8.543 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 55 4.713 -10.777 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 55 3.203 -9.509 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.079 -8.205 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.603 -9.815 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.960 -8.378 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.206 -7.052 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.009 -7.171 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.363 -7.813 -0.519 1.00 0.00 H new ATOM 814 N LYS A 56 2.779 -11.258 -2.419 1.00 0.00 N ATOM 815 CA LYS A 56 1.570 -11.833 -3.021 1.00 0.00 C ATOM 816 C LYS A 56 0.636 -12.428 -1.968 1.00 0.00 C ATOM 817 O LYS A 56 -0.430 -11.878 -1.696 1.00 0.00 O ATOM 818 CB LYS A 56 1.953 -12.904 -4.048 1.00 0.00 C ATOM 819 CG LYS A 56 2.294 -12.343 -5.420 1.00 0.00 C ATOM 820 CD LYS A 56 3.296 -13.224 -6.149 1.00 0.00 C ATOM 821 CE LYS A 56 3.491 -12.773 -7.588 1.00 0.00 C ATOM 822 NZ LYS A 56 4.665 -13.434 -8.227 1.00 0.00 N ATOM 0 H LYS A 56 3.645 -11.550 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 56 1.034 -11.025 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.808 -13.465 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.128 -13.609 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.385 -12.255 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.702 -11.338 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.252 -13.199 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.951 -14.258 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.592 -12.996 -8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.625 -11.692 -7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.762 -13.098 -9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.527 -13.201 -7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.526 -14.465 -8.226 1.00 0.00 H new ATOM 836 N LYS A 57 1.043 -13.555 -1.387 1.00 0.00 N ATOM 837 CA LYS A 57 0.242 -14.231 -0.365 1.00 0.00 C ATOM 838 C LYS A 57 1.016 -14.324 0.955 1.00 0.00 C ATOM 839 O LYS A 57 0.972 -15.345 1.644 1.00 0.00 O ATOM 840 CB LYS A 57 -0.157 -15.635 -0.838 1.00 0.00 C ATOM 841 CG LYS A 57 -0.780 -15.674 -2.227 1.00 0.00 C ATOM 842 CD LYS A 57 -0.869 -17.098 -2.753 1.00 0.00 C ATOM 843 CE LYS A 57 -1.015 -17.130 -4.268 1.00 0.00 C ATOM 844 NZ LYS A 57 0.182 -16.571 -4.959 1.00 0.00 N ATOM 0 H LYS A 57 1.924 -14.021 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.662 -13.645 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.727 -16.273 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.863 -16.060 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.776 -15.234 -2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.186 -15.068 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.025 -17.650 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.719 -17.603 -2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.175 -18.158 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.899 -16.562 -4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.241 -16.961 -5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.102 -15.535 -5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.040 -16.827 -4.429 1.00 0.00 H new ATOM 858 N ALA A 58 1.734 -13.249 1.291 1.00 0.00 N ATOM 859 CA ALA A 58 2.532 -13.198 2.511 1.00 0.00 C ATOM 860 C ALA A 58 1.660 -13.042 3.758 1.00 0.00 C ATOM 861 O ALA A 58 0.430 -13.063 3.675 1.00 0.00 O ATOM 862 CB ALA A 58 3.536 -12.057 2.419 1.00 0.00 C ATOM 0 H ALA A 58 1.776 -12.399 0.729 1.00 0.00 H new ATOM 0 HA ALA A 58 3.063 -14.145 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.131 -12.021 3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.193 -12.218 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.004 -11.114 2.295 1.00 0.00 H new ATOM 868 N SER A 59 2.307 -12.879 4.916 1.00 0.00 N ATOM 869 CA SER A 59 1.594 -12.710 6.179 1.00 0.00 C ATOM 870 C SER A 59 1.302 -11.245 6.437 1.00 0.00 C ATOM 871 O SER A 59 2.150 -10.375 6.236 1.00 0.00 O ATOM 872 CB SER A 59 2.386 -13.305 7.351 1.00 0.00 C ATOM 873 OG SER A 59 3.751 -13.514 7.013 1.00 0.00 O ATOM 0 H SER A 59 3.323 -12.861 5.002 1.00 0.00 H new ATOM 0 HA SER A 59 0.650 -13.248 6.099 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.322 -12.636 8.210 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.936 -14.252 7.650 1.00 0.00 H new ATOM 0 HG SER A 59 4.322 -13.033 7.647 1.00 0.00 H new ATOM 879 N HIS A 60 0.080 -10.989 6.879 1.00 0.00 N ATOM 880 CA HIS A 60 -0.381 -9.642 7.167 1.00 0.00 C ATOM 881 C HIS A 60 0.543 -8.909 8.134 1.00 0.00 C ATOM 882 O HIS A 60 0.872 -7.744 7.917 1.00 0.00 O ATOM 883 CB HIS A 60 -1.790 -9.708 7.735 1.00 0.00 C ATOM 884 CG HIS A 60 -2.643 -8.554 7.328 1.00 0.00 C ATOM 885 ND1 HIS A 60 -3.152 -8.407 6.058 1.00 0.00 N ATOM 886 CD2 HIS A 60 -3.070 -7.482 8.032 1.00 0.00 C ATOM 887 CE1 HIS A 60 -3.858 -7.294 5.994 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.825 -6.714 7.179 1.00 0.00 N ATOM 0 H HIS A 60 -0.620 -11.711 7.048 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.377 -9.077 6.235 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.263 -10.634 7.409 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.735 -9.745 8.823 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.858 -7.269 9.069 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.374 -6.922 5.122 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.286 -5.837 7.422 1.00 0.00 H new ATOM 897 N GLU A 61 0.962 -9.596 9.194 1.00 0.00 N ATOM 898 CA GLU A 61 1.852 -8.994 10.183 1.00 0.00 C ATOM 899 C GLU A 61 3.173 -8.582 9.541 1.00 0.00 C ATOM 900 O GLU A 61 3.701 -7.506 9.821 1.00 0.00 O ATOM 901 CB GLU A 61 2.110 -9.963 11.340 1.00 0.00 C ATOM 902 CG GLU A 61 1.123 -9.820 12.489 1.00 0.00 C ATOM 903 CD GLU A 61 1.756 -10.065 13.849 1.00 0.00 C ATOM 904 OE1 GLU A 61 2.521 -11.042 13.983 1.00 0.00 O ATOM 905 OE2 GLU A 61 1.481 -9.278 14.780 1.00 0.00 O ATOM 0 H GLU A 61 0.702 -10.563 9.389 1.00 0.00 H new ATOM 0 HA GLU A 61 1.363 -8.103 10.577 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.069 -10.985 10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.120 -9.803 11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.693 -8.818 12.469 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.302 -10.522 12.345 1.00 0.00 H new ATOM 912 N ASP A 62 3.694 -9.444 8.672 1.00 0.00 N ATOM 913 CA ASP A 62 4.948 -9.169 7.977 1.00 0.00 C ATOM 914 C ASP A 62 4.789 -7.990 7.025 1.00 0.00 C ATOM 915 O ASP A 62 5.669 -7.134 6.933 1.00 0.00 O ATOM 916 CB ASP A 62 5.421 -10.405 7.205 1.00 0.00 C ATOM 917 CG ASP A 62 6.407 -11.236 7.999 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.581 -10.826 8.100 1.00 0.00 O ATOM 919 OD2 ASP A 62 6.004 -12.297 8.519 1.00 0.00 O ATOM 0 H ASP A 62 3.267 -10.339 8.432 1.00 0.00 H new ATOM 0 HA ASP A 62 5.699 -8.915 8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.559 -11.019 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.884 -10.091 6.270 1.00 0.00 H new ATOM 924 N VAL A 63 3.660 -7.946 6.322 1.00 0.00 N ATOM 925 CA VAL A 63 3.390 -6.862 5.385 1.00 0.00 C ATOM 926 C VAL A 63 3.236 -5.536 6.127 1.00 0.00 C ATOM 927 O VAL A 63 3.720 -4.500 5.668 1.00 0.00 O ATOM 928 CB VAL A 63 2.130 -7.132 4.536 1.00 0.00 C ATOM 929 CG1 VAL A 63 1.900 -5.996 3.548 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.242 -8.465 3.806 1.00 0.00 C ATOM 0 H VAL A 63 2.921 -8.646 6.384 1.00 0.00 H new ATOM 0 HA VAL A 63 4.244 -6.803 4.710 1.00 0.00 H new ATOM 0 HB VAL A 63 1.272 -7.186 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.007 -6.203 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.766 -5.061 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.761 -5.910 2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.342 -8.633 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.111 -8.448 3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.354 -9.270 4.533 1.00 0.00 H new ATOM 940 N VAL A 64 2.585 -5.580 7.288 1.00 0.00 N ATOM 941 CA VAL A 64 2.402 -4.393 8.107 1.00 0.00 C ATOM 942 C VAL A 64 3.752 -3.912 8.615 1.00 0.00 C ATOM 943 O VAL A 64 4.012 -2.711 8.677 1.00 0.00 O ATOM 944 CB VAL A 64 1.459 -4.644 9.303 1.00 0.00 C ATOM 945 CG1 VAL A 64 1.293 -3.376 10.132 1.00 0.00 C ATOM 946 CG2 VAL A 64 0.108 -5.154 8.826 1.00 0.00 C ATOM 0 H VAL A 64 2.176 -6.429 7.679 1.00 0.00 H new ATOM 0 HA VAL A 64 1.939 -3.631 7.480 1.00 0.00 H new ATOM 0 HB VAL A 64 1.908 -5.410 9.936 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.625 -3.574 10.970 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.265 -3.059 10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.871 -2.587 9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.541 -5.324 9.685 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.348 -4.415 8.168 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.243 -6.089 8.283 1.00 0.00 H new ATOM 956 N LYS A 65 4.609 -4.870 8.975 1.00 0.00 N ATOM 957 CA LYS A 65 5.941 -4.559 9.473 1.00 0.00 C ATOM 958 C LYS A 65 6.722 -3.732 8.457 1.00 0.00 C ATOM 959 O LYS A 65 7.414 -2.780 8.820 1.00 0.00 O ATOM 960 CB LYS A 65 6.707 -5.842 9.810 1.00 0.00 C ATOM 961 CG LYS A 65 6.826 -6.117 11.302 1.00 0.00 C ATOM 962 CD LYS A 65 6.583 -7.585 11.618 1.00 0.00 C ATOM 963 CE LYS A 65 6.897 -7.903 13.073 1.00 0.00 C ATOM 964 NZ LYS A 65 5.700 -7.758 13.951 1.00 0.00 N ATOM 0 H LYS A 65 4.399 -5.867 8.929 1.00 0.00 H new ATOM 0 HA LYS A 65 5.829 -3.971 10.384 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.209 -6.686 9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.707 -5.779 9.381 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.818 -5.828 11.648 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.108 -5.503 11.845 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.544 -7.837 11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.200 -8.205 10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.279 -8.921 13.147 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.687 -7.240 13.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.960 -7.984 14.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.350 -6.780 13.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.954 -8.409 13.632 1.00 0.00 H new ATOM 978 N LEU A 66 6.596 -4.094 7.180 1.00 0.00 N ATOM 979 CA LEU A 66 7.283 -3.375 6.107 1.00 0.00 C ATOM 980 C LEU A 66 6.771 -1.941 6.013 1.00 0.00 C ATOM 981 O LEU A 66 7.554 -1.001 5.871 1.00 0.00 O ATOM 982 CB LEU A 66 7.088 -4.083 4.763 1.00 0.00 C ATOM 983 CG LEU A 66 7.499 -5.555 4.732 1.00 0.00 C ATOM 984 CD1 LEU A 66 6.800 -6.278 3.588 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.010 -5.683 4.609 1.00 0.00 C ATOM 0 H LEU A 66 6.026 -4.879 6.864 1.00 0.00 H new ATOM 0 HA LEU A 66 8.347 -3.359 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.037 -4.011 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.658 -3.548 4.004 1.00 0.00 H new ATOM 0 HG LEU A 66 7.193 -6.021 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.103 -7.325 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.720 -6.214 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.075 -5.813 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.285 -6.737 4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.342 -5.203 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.487 -5.200 5.462 1.00 0.00 H new ATOM 997 N ILE A 67 5.452 -1.786 6.101 1.00 0.00 N ATOM 998 CA ILE A 67 4.827 -0.467 6.038 1.00 0.00 C ATOM 999 C ILE A 67 5.203 0.365 7.261 1.00 0.00 C ATOM 1000 O ILE A 67 5.433 1.570 7.155 1.00 0.00 O ATOM 1001 CB ILE A 67 3.288 -0.566 5.930 1.00 0.00 C ATOM 1002 CG1 ILE A 67 2.893 -1.472 4.759 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.669 0.818 5.770 1.00 0.00 C ATOM 1004 CD1 ILE A 67 1.435 -1.878 4.764 1.00 0.00 C ATOM 0 H ILE A 67 4.795 -2.558 6.216 1.00 0.00 H new ATOM 0 HA ILE A 67 5.200 0.023 5.139 1.00 0.00 H new ATOM 0 HB ILE A 67 2.906 -1.005 6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.114 -0.958 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.510 -2.370 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.585 0.726 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.922 1.432 6.634 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.056 1.287 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.233 -2.518 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.212 -2.421 5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.809 -0.987 4.708 1.00 0.00 H new ATOM 1016 N GLY A 68 5.289 -0.295 8.418 1.00 0.00 N ATOM 1017 CA GLY A 68 5.670 0.393 9.641 1.00 0.00 C ATOM 1018 C GLY A 68 7.177 0.614 9.740 1.00 0.00 C ATOM 1019 O GLY A 68 7.677 1.055 10.777 1.00 0.00 O ATOM 0 H GLY A 68 5.102 -1.292 8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.161 1.356 9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.333 -0.187 10.501 1.00 0.00 H new ATOM 1023 N LYS A 69 7.896 0.322 8.650 1.00 0.00 N ATOM 1024 CA LYS A 69 9.343 0.497 8.597 1.00 0.00 C ATOM 1025 C LYS A 69 9.722 1.600 7.599 1.00 0.00 C ATOM 1026 O LYS A 69 10.905 1.877 7.386 1.00 0.00 O ATOM 1027 CB LYS A 69 10.003 -0.823 8.195 1.00 0.00 C ATOM 1028 CG LYS A 69 11.525 -0.800 8.259 1.00 0.00 C ATOM 1029 CD LYS A 69 12.068 -1.906 9.152 1.00 0.00 C ATOM 1030 CE LYS A 69 13.169 -1.393 10.069 1.00 0.00 C ATOM 1031 NZ LYS A 69 14.307 -2.352 10.164 1.00 0.00 N ATOM 0 H LYS A 69 7.490 -0.040 7.787 1.00 0.00 H new ATOM 0 HA LYS A 69 9.696 0.795 9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.634 -1.615 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.696 -1.077 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.933 -0.910 7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.859 0.167 8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.258 -2.322 9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.456 -2.716 8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.532 -0.434 9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.760 -1.216 11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.035 -1.965 10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.966 -3.259 10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.715 -2.502 9.219 1.00 0.00 H new ATOM 1045 N CYS A 70 8.707 2.227 6.993 1.00 0.00 N ATOM 1046 CA CYS A 70 8.911 3.294 6.022 1.00 0.00 C ATOM 1047 C CYS A 70 9.850 4.371 6.563 1.00 0.00 C ATOM 1048 O CYS A 70 10.751 4.834 5.860 1.00 0.00 O ATOM 1049 CB CYS A 70 7.560 3.904 5.652 1.00 0.00 C ATOM 1050 SG CYS A 70 6.581 4.458 7.068 1.00 0.00 S ATOM 0 H CYS A 70 7.726 2.006 7.165 1.00 0.00 H new ATOM 0 HA CYS A 70 9.379 2.870 5.134 1.00 0.00 H new ATOM 0 HB2 CYS A 70 7.727 4.751 4.987 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.983 3.168 5.092 1.00 0.00 H new ATOM 0 HG CYS A 70 5.850 3.475 7.501 1.00 0.00 H new ATOM 1056 N SER A 71 9.624 4.762 7.814 1.00 0.00 N ATOM 1057 CA SER A 71 10.434 5.781 8.479 1.00 0.00 C ATOM 1058 C SER A 71 10.231 7.151 7.834 1.00 0.00 C ATOM 1059 O SER A 71 11.142 7.983 7.819 1.00 0.00 O ATOM 1060 CB SER A 71 11.920 5.398 8.451 1.00 0.00 C ATOM 1061 OG SER A 71 12.125 4.086 8.945 1.00 0.00 O ATOM 0 H SER A 71 8.876 4.383 8.395 1.00 0.00 H new ATOM 0 HA SER A 71 10.108 5.839 9.517 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.296 5.467 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.491 6.107 9.050 1.00 0.00 H new ATOM 0 HG SER A 71 11.707 3.439 8.339 1.00 0.00 H new ATOM 1067 N GLY A 72 9.029 7.382 7.304 1.00 0.00 N ATOM 1068 CA GLY A 72 8.729 8.652 6.670 1.00 0.00 C ATOM 1069 C GLY A 72 8.007 8.501 5.344 1.00 0.00 C ATOM 1070 O GLY A 72 7.213 9.367 4.968 1.00 0.00 O ATOM 0 H GLY A 72 8.261 6.711 7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.117 9.252 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.658 9.200 6.511 1.00 0.00 H new ATOM 1074 N VAL A 73 8.277 7.408 4.626 1.00 0.00 N ATOM 1075 CA VAL A 73 7.636 7.177 3.332 1.00 0.00 C ATOM 1076 C VAL A 73 7.769 5.726 2.873 1.00 0.00 C ATOM 1077 O VAL A 73 8.829 5.111 3.008 1.00 0.00 O ATOM 1078 CB VAL A 73 8.208 8.121 2.247 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.711 7.936 2.093 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.499 7.916 0.913 1.00 0.00 C ATOM 0 H VAL A 73 8.928 6.678 4.915 1.00 0.00 H new ATOM 0 HA VAL A 73 6.576 7.392 3.470 1.00 0.00 H new ATOM 0 HB VAL A 73 8.027 9.145 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.084 8.612 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.204 8.156 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.923 6.906 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.921 8.592 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.633 6.885 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.435 8.124 1.030 1.00 0.00 H new ATOM 1090 N LEU A 74 6.677 5.192 2.330 1.00 0.00 N ATOM 1091 CA LEU A 74 6.644 3.817 1.843 1.00 0.00 C ATOM 1092 C LEU A 74 6.455 3.773 0.329 1.00 0.00 C ATOM 1093 O LEU A 74 5.832 4.661 -0.256 1.00 0.00 O ATOM 1094 CB LEU A 74 5.521 3.037 2.531 1.00 0.00 C ATOM 1095 CG LEU A 74 5.390 1.574 2.109 1.00 0.00 C ATOM 1096 CD1 LEU A 74 6.570 0.761 2.626 1.00 0.00 C ATOM 1097 CD2 LEU A 74 4.076 0.994 2.607 1.00 0.00 C ATOM 0 H LEU A 74 5.798 5.696 2.216 1.00 0.00 H new ATOM 0 HA LEU A 74 7.601 3.354 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.682 3.074 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.576 3.542 2.332 1.00 0.00 H new ATOM 0 HG LEU A 74 5.395 1.525 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.460 -0.278 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.497 1.165 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.599 0.814 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.998 -0.048 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.041 1.054 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.245 1.560 2.186 1.00 0.00 H new ATOM 1109 N HIS A 75 6.994 2.728 -0.294 1.00 0.00 N ATOM 1110 CA HIS A 75 6.887 2.548 -1.738 1.00 0.00 C ATOM 1111 C HIS A 75 6.171 1.238 -2.058 1.00 0.00 C ATOM 1112 O HIS A 75 6.739 0.155 -1.900 1.00 0.00 O ATOM 1113 CB HIS A 75 8.281 2.568 -2.379 1.00 0.00 C ATOM 1114 CG HIS A 75 9.011 3.862 -2.181 1.00 0.00 C ATOM 1115 ND1 HIS A 75 9.515 4.266 -0.959 1.00 0.00 N ATOM 1116 CD2 HIS A 75 9.317 4.851 -3.054 1.00 0.00 C ATOM 1117 CE1 HIS A 75 10.097 5.444 -1.092 1.00 0.00 C ATOM 1118 NE2 HIS A 75 9.991 5.821 -2.352 1.00 0.00 N ATOM 0 H HIS A 75 7.512 1.990 0.182 1.00 0.00 H new ATOM 0 HA HIS A 75 6.303 3.370 -2.151 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.876 1.756 -1.961 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.184 2.374 -3.447 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.076 4.873 -4.107 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.578 6.004 -0.303 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.351 6.692 -2.742 1.00 0.00 H new ATOM 1127 N MET A 76 4.913 1.344 -2.495 1.00 0.00 N ATOM 1128 CA MET A 76 4.111 0.169 -2.824 1.00 0.00 C ATOM 1129 C MET A 76 3.764 0.137 -4.310 1.00 0.00 C ATOM 1130 O MET A 76 3.403 1.161 -4.895 1.00 0.00 O ATOM 1131 CB MET A 76 2.818 0.151 -1.998 1.00 0.00 C ATOM 1132 CG MET A 76 3.028 0.380 -0.509 1.00 0.00 C ATOM 1133 SD MET A 76 1.803 1.500 0.197 1.00 0.00 S ATOM 1134 CE MET A 76 0.627 0.328 0.872 1.00 0.00 C ATOM 0 H MET A 76 4.431 2.233 -2.628 1.00 0.00 H new ATOM 0 HA MET A 76 4.706 -0.713 -2.584 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.144 0.918 -2.381 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.322 -0.809 -2.140 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.984 -0.576 0.012 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.026 0.787 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.369 0.770 0.871 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.623 -0.576 0.263 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.911 0.076 1.894 1.00 0.00 H new ATOM 1144 N VAL A 77 3.870 -1.045 -4.910 1.00 0.00 N ATOM 1145 CA VAL A 77 3.560 -1.219 -6.324 1.00 0.00 C ATOM 1146 C VAL A 77 2.245 -1.975 -6.501 1.00 0.00 C ATOM 1147 O VAL A 77 2.182 -3.188 -6.285 1.00 0.00 O ATOM 1148 CB VAL A 77 4.685 -1.973 -7.066 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.441 -1.955 -8.568 1.00 0.00 C ATOM 1150 CG2 VAL A 77 6.043 -1.374 -6.732 1.00 0.00 C ATOM 0 H VAL A 77 4.169 -1.898 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 77 3.468 -0.222 -6.755 1.00 0.00 H new ATOM 0 HB VAL A 77 4.681 -3.011 -6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.244 -2.491 -9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.488 -2.437 -8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.415 -0.924 -8.920 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.822 -1.919 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.063 -0.327 -7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.219 -1.446 -5.659 1.00 0.00 H new ATOM 1160 N ILE A 78 1.201 -1.246 -6.888 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.119 -1.841 -7.092 1.00 0.00 C ATOM 1162 C ILE A 78 -0.462 -1.945 -8.578 1.00 0.00 C ATOM 1163 O ILE A 78 0.248 -1.407 -9.431 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.223 -1.037 -6.369 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -1.339 0.384 -6.946 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -0.959 -1.001 -4.870 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -0.403 1.395 -6.312 1.00 0.00 C ATOM 0 H ILE A 78 1.243 -0.243 -7.067 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.077 -2.844 -6.666 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.176 -1.538 -6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.141 0.345 -8.017 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.365 0.730 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.746 -0.431 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.947 -2.018 -4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.005 -0.528 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.551 2.369 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.614 1.467 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.629 1.076 -6.457 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.556 -2.648 -8.878 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.000 -2.834 -10.258 1.00 0.00 C ATOM 1181 C ALA A 79 -3.482 -2.505 -10.420 1.00 0.00 C ATOM 1182 O ALA A 79 -4.260 -2.590 -9.465 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.728 -4.263 -10.700 1.00 0.00 C ATOM 0 H ALA A 79 -2.150 -3.098 -8.182 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.438 -2.146 -10.889 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.061 -4.395 -11.729 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.659 -4.467 -10.636 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.268 -4.953 -10.052 1.00 0.00 H new ATOM 1189 N GLU A 80 -3.867 -2.134 -11.643 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.254 -1.795 -11.949 1.00 0.00 C ATOM 1191 C GLU A 80 -5.922 -2.913 -12.750 1.00 0.00 C ATOM 1192 O GLU A 80 -5.259 -3.640 -13.494 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.323 -0.479 -12.732 1.00 0.00 C ATOM 1194 CG GLU A 80 -6.028 0.642 -11.980 1.00 0.00 C ATOM 1195 CD GLU A 80 -7.486 0.328 -11.691 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -8.330 0.553 -12.584 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -7.783 -0.140 -10.572 1.00 0.00 O ATOM 0 H GLU A 80 -3.233 -2.061 -12.439 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.788 -1.675 -11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.311 -0.159 -12.978 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.841 -0.654 -13.675 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.507 0.827 -11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.967 1.560 -12.564 1.00 0.00 H new