USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=13 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 15 TYR OH : rot 147:sc= -1.87! USER MOD Set 1.2: A 70 CYS SG : rot -82:sc= -0.633 USER MOD Single : A 5 SER OG : rot 180:sc= -0.42 USER MOD Single : A 18 THR OG1 : rot 76:sc= 0.0803 USER MOD Single : A 20 SER OG : rot 1:sc= 0.123 USER MOD Single : A 22 GLN : amide:sc= -0.0568 X(o=-0.057,f=-0.057) USER MOD Single : A 25 CYS SG : rot 104:sc= -2.7! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= -0.0144 USER MOD Single : A 31 MET CE :methyl 151:sc= -0.234 (180deg=-1.03) USER MOD Single : A 34 SER OG : rot 140:sc= -0.0305 USER MOD Single : A 46 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.012) USER MOD Single : A 51 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.1) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.421 USER MOD Single : A 60 HIS : no HD1:sc= -0.372 X(o=-0.37,f=6.2e-05) 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 -53:sc= 0.037 USER MOD Single : A 75 HIS : no HD1:sc= -0.541 K(o=-0.54,f=-2.8!) USER MOD Single : A 76 MET CE :methyl 143:sc= -0.987 (180deg=-1.34) USER MOD ----------------------------------------------------------------- ATOM 41 N VAL A 3 0.734 -1.077 -14.202 1.00 0.00 N ATOM 42 CA VAL A 3 1.175 -1.035 -12.806 1.00 0.00 C ATOM 43 C VAL A 3 1.833 0.306 -12.475 1.00 0.00 C ATOM 44 O VAL A 3 2.546 0.880 -13.303 1.00 0.00 O ATOM 45 CB VAL A 3 2.168 -2.179 -12.491 1.00 0.00 C ATOM 46 CG1 VAL A 3 2.485 -2.221 -11.002 1.00 0.00 C ATOM 47 CG2 VAL A 3 1.616 -3.520 -12.959 1.00 0.00 C ATOM 0 HA VAL A 3 0.285 -1.160 -12.190 1.00 0.00 H new ATOM 0 HB VAL A 3 3.093 -1.984 -13.034 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.185 -3.032 -10.802 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.931 -1.274 -10.698 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.567 -2.387 -10.439 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.331 -4.309 -12.727 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.674 -3.723 -12.450 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.447 -3.488 -14.035 1.00 0.00 H new ATOM 57 N ARG A 4 1.585 0.796 -11.256 1.00 0.00 N ATOM 58 CA ARG A 4 2.144 2.070 -10.802 1.00 0.00 C ATOM 59 C ARG A 4 2.684 1.967 -9.371 1.00 0.00 C ATOM 60 O ARG A 4 2.336 1.044 -8.631 1.00 0.00 O ATOM 61 CB ARG A 4 1.077 3.168 -10.874 1.00 0.00 C ATOM 62 CG ARG A 4 -0.086 2.947 -9.918 1.00 0.00 C ATOM 63 CD ARG A 4 -1.028 4.140 -9.892 1.00 0.00 C ATOM 64 NE ARG A 4 -2.147 3.978 -10.819 1.00 0.00 N ATOM 65 CZ ARG A 4 -3.263 4.710 -10.775 1.00 0.00 C ATOM 66 NH1 ARG A 4 -3.425 5.638 -9.834 1.00 0.00 N ATOM 67 NH2 ARG A 4 -4.222 4.511 -11.674 1.00 0.00 N ATOM 0 H ARG A 4 0.999 0.327 -10.566 1.00 0.00 H new ATOM 0 HA ARG A 4 2.974 2.323 -11.461 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.541 4.129 -10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.694 3.225 -11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.637 2.055 -10.216 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.298 2.765 -8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.412 4.276 -8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.475 5.044 -10.147 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.071 3.263 -11.543 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.694 5.794 -9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.280 6.193 -9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.105 3.800 -12.396 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.075 5.069 -11.642 1.00 0.00 H new ATOM 81 N SER A 5 3.529 2.928 -8.990 1.00 0.00 N ATOM 82 CA SER A 5 4.112 2.955 -7.649 1.00 0.00 C ATOM 83 C SER A 5 3.638 4.186 -6.876 1.00 0.00 C ATOM 84 O SER A 5 3.781 5.318 -7.344 1.00 0.00 O ATOM 85 CB SER A 5 5.642 2.946 -7.729 1.00 0.00 C ATOM 86 OG SER A 5 6.197 2.167 -6.685 1.00 0.00 O ATOM 0 H SER A 5 3.824 3.697 -9.592 1.00 0.00 H new ATOM 0 HA SER A 5 3.780 2.062 -7.119 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.958 2.547 -8.693 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.020 3.967 -7.667 1.00 0.00 H new ATOM 0 HG SER A 5 7.174 2.174 -6.756 1.00 0.00 H new ATOM 92 N VAL A 6 3.071 3.953 -5.692 1.00 0.00 N ATOM 93 CA VAL A 6 2.569 5.035 -4.848 1.00 0.00 C ATOM 94 C VAL A 6 3.419 5.189 -3.587 1.00 0.00 C ATOM 95 O VAL A 6 3.748 4.204 -2.925 1.00 0.00 O ATOM 96 CB VAL A 6 1.096 4.798 -4.443 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.522 6.024 -3.746 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.262 4.429 -5.662 1.00 0.00 C ATOM 0 H VAL A 6 2.948 3.021 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 6 2.630 5.951 -5.436 1.00 0.00 H new ATOM 0 HB VAL A 6 1.063 3.966 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.515 5.834 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.103 6.237 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.567 6.880 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.772 4.266 -5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.303 5.239 -6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.657 3.518 -6.111 1.00 0.00 H new ATOM 108 N GLU A 7 3.771 6.435 -3.262 1.00 0.00 N ATOM 109 CA GLU A 7 4.585 6.729 -2.085 1.00 0.00 C ATOM 110 C GLU A 7 3.735 7.341 -0.970 1.00 0.00 C ATOM 111 O GLU A 7 3.234 8.459 -1.104 1.00 0.00 O ATOM 112 CB GLU A 7 5.730 7.682 -2.460 1.00 0.00 C ATOM 113 CG GLU A 7 6.453 7.293 -3.745 1.00 0.00 C ATOM 114 CD GLU A 7 7.739 8.071 -3.966 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.420 8.406 -2.970 1.00 0.00 O ATOM 116 OE2 GLU A 7 8.074 8.340 -5.139 1.00 0.00 O ATOM 0 H GLU A 7 3.503 7.258 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 7 5.005 5.792 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.331 8.691 -2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.450 7.710 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.681 6.227 -3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.787 7.456 -4.593 1.00 0.00 H new ATOM 123 N VAL A 8 3.574 6.601 0.128 1.00 0.00 N ATOM 124 CA VAL A 8 2.779 7.072 1.262 1.00 0.00 C ATOM 125 C VAL A 8 3.630 7.890 2.235 1.00 0.00 C ATOM 126 O VAL A 8 4.573 7.374 2.837 1.00 0.00 O ATOM 127 CB VAL A 8 2.121 5.904 2.033 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.032 6.426 2.956 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.555 4.867 1.071 1.00 0.00 C ATOM 0 H VAL A 8 3.983 5.675 0.256 1.00 0.00 H new ATOM 0 HA VAL A 8 1.995 7.703 0.844 1.00 0.00 H new ATOM 0 HB VAL A 8 2.888 5.420 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.578 5.592 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.466 7.124 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.270 6.937 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.098 4.056 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.803 5.333 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.358 4.469 0.452 1.00 0.00 H new ATOM 139 N ALA A 9 3.280 9.169 2.383 1.00 0.00 N ATOM 140 CA ALA A 9 3.993 10.075 3.281 1.00 0.00 C ATOM 141 C ALA A 9 3.520 9.897 4.720 1.00 0.00 C ATOM 142 O ALA A 9 2.581 10.559 5.166 1.00 0.00 O ATOM 143 CB ALA A 9 3.808 11.519 2.830 1.00 0.00 C ATOM 0 H ALA A 9 2.501 9.602 1.888 1.00 0.00 H new ATOM 0 HA ALA A 9 5.055 9.832 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.344 12.183 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.200 11.638 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.747 11.770 2.840 1.00 0.00 H new ATOM 149 N ARG A 10 4.178 8.991 5.439 1.00 0.00 N ATOM 150 CA ARG A 10 3.834 8.707 6.834 1.00 0.00 C ATOM 151 C ARG A 10 3.884 9.977 7.683 1.00 0.00 C ATOM 152 O ARG A 10 4.924 10.634 7.774 1.00 0.00 O ATOM 153 CB ARG A 10 4.787 7.658 7.416 1.00 0.00 C ATOM 154 CG ARG A 10 4.288 7.034 8.712 1.00 0.00 C ATOM 155 CD ARG A 10 5.369 6.194 9.376 1.00 0.00 C ATOM 156 NE ARG A 10 5.811 6.771 10.647 1.00 0.00 N ATOM 157 CZ ARG A 10 6.875 6.347 11.332 1.00 0.00 C ATOM 158 NH1 ARG A 10 7.613 5.335 10.878 1.00 0.00 N ATOM 159 NH2 ARG A 10 7.202 6.935 12.478 1.00 0.00 N ATOM 0 H ARG A 10 4.956 8.438 5.079 1.00 0.00 H new ATOM 0 HA ARG A 10 2.816 8.318 6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.941 6.870 6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.758 8.121 7.595 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.965 7.820 9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.417 6.412 8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.990 5.186 9.548 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.222 6.104 8.703 1.00 0.00 H new ATOM 0 HE ARG A 10 5.272 7.546 11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.367 4.878 10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.425 5.018 11.408 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.640 7.709 12.833 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.015 6.612 13.003 1.00 0.00 H new ATOM 173 N GLY A 11 2.751 10.318 8.299 1.00 0.00 N ATOM 174 CA GLY A 11 2.677 11.507 9.131 1.00 0.00 C ATOM 175 C GLY A 11 3.341 11.319 10.484 1.00 0.00 C ATOM 176 O GLY A 11 4.528 11.612 10.644 1.00 0.00 O ATOM 0 H GLY A 11 1.881 9.789 8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.151 12.339 8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.631 11.777 9.279 1.00 0.00 H new ATOM 180 N ARG A 12 2.575 10.826 11.457 1.00 0.00 N ATOM 181 CA ARG A 12 3.090 10.591 12.803 1.00 0.00 C ATOM 182 C ARG A 12 2.936 9.126 13.192 1.00 0.00 C ATOM 183 O ARG A 12 3.915 8.380 13.228 1.00 0.00 O ATOM 184 CB ARG A 12 2.378 11.496 13.818 1.00 0.00 C ATOM 185 CG ARG A 12 3.327 12.263 14.721 1.00 0.00 C ATOM 186 CD ARG A 12 3.837 11.392 15.861 1.00 0.00 C ATOM 187 NE ARG A 12 2.887 11.329 16.972 1.00 0.00 N ATOM 188 CZ ARG A 12 2.749 12.283 17.898 1.00 0.00 C ATOM 189 NH1 ARG A 12 3.488 13.390 17.843 1.00 0.00 N ATOM 190 NH2 ARG A 12 1.867 12.133 18.881 1.00 0.00 N ATOM 0 H ARG A 12 1.592 10.581 11.336 1.00 0.00 H new ATOM 0 HA ARG A 12 4.152 10.835 12.809 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.749 12.205 13.281 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.717 10.887 14.434 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.171 12.630 14.136 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.818 13.136 15.128 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.028 10.385 15.490 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.788 11.785 16.220 1.00 0.00 H new ATOM 0 HE ARG A 12 2.292 10.504 17.045 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.165 13.514 17.090 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.377 14.113 18.553 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.295 11.290 18.929 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.762 12.861 19.587 1.00 0.00 H new ATOM 204 N ALA A 13 1.702 8.718 13.476 1.00 0.00 N ATOM 205 CA ALA A 13 1.420 7.338 13.854 1.00 0.00 C ATOM 206 C ALA A 13 0.420 6.694 12.887 1.00 0.00 C ATOM 207 O ALA A 13 -0.374 5.836 13.279 1.00 0.00 O ATOM 208 CB ALA A 13 0.897 7.282 15.284 1.00 0.00 C ATOM 0 H ALA A 13 0.882 9.324 13.451 1.00 0.00 H new ATOM 0 HA ALA A 13 2.349 6.771 13.798 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.690 6.247 15.555 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.646 7.692 15.962 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.019 7.867 15.359 1.00 0.00 H new ATOM 214 N GLY A 14 0.467 7.112 11.620 1.00 0.00 N ATOM 215 CA GLY A 14 -0.438 6.570 10.620 1.00 0.00 C ATOM 216 C GLY A 14 -0.192 7.147 9.237 1.00 0.00 C ATOM 217 O GLY A 14 0.811 7.826 9.009 1.00 0.00 O ATOM 0 H GLY A 14 1.117 7.817 11.271 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.326 5.486 10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.467 6.774 10.917 1.00 0.00 H new ATOM 221 N TYR A 15 -1.111 6.868 8.309 1.00 0.00 N ATOM 222 CA TYR A 15 -0.993 7.358 6.935 1.00 0.00 C ATOM 223 C TYR A 15 -2.310 7.960 6.446 1.00 0.00 C ATOM 224 O TYR A 15 -2.387 9.155 6.164 1.00 0.00 O ATOM 225 CB TYR A 15 -0.555 6.226 5.996 1.00 0.00 C ATOM 226 CG TYR A 15 0.642 5.440 6.485 1.00 0.00 C ATOM 227 CD1 TYR A 15 0.494 4.410 7.407 1.00 0.00 C ATOM 228 CD2 TYR A 15 1.921 5.726 6.023 1.00 0.00 C ATOM 229 CE1 TYR A 15 1.582 3.690 7.853 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.015 5.008 6.462 1.00 0.00 C ATOM 231 CZ TYR A 15 2.840 3.993 7.378 1.00 0.00 C ATOM 232 OH TYR A 15 3.924 3.271 7.824 1.00 0.00 O ATOM 0 H TYR A 15 -1.944 6.306 8.485 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.235 8.141 6.927 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.392 5.542 5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.322 6.650 5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.490 4.170 7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.061 6.524 5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.449 2.893 8.570 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.002 5.240 6.090 1.00 0.00 H new ATOM 0 HH TYR A 15 4.585 3.196 7.105 1.00 0.00 H new ATOM 242 N GLY A 16 -3.336 7.118 6.344 1.00 0.00 N ATOM 243 CA GLY A 16 -4.640 7.577 5.886 1.00 0.00 C ATOM 244 C GLY A 16 -5.278 6.632 4.884 1.00 0.00 C ATOM 245 O GLY A 16 -5.779 7.066 3.843 1.00 0.00 O ATOM 0 H GLY A 16 -3.289 6.125 6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.302 7.690 6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.534 8.563 5.433 1.00 0.00 H new ATOM 249 N PHE A 17 -5.267 5.339 5.200 1.00 0.00 N ATOM 250 CA PHE A 17 -5.852 4.322 4.326 1.00 0.00 C ATOM 251 C PHE A 17 -6.225 3.069 5.123 1.00 0.00 C ATOM 252 O PHE A 17 -5.904 2.958 6.309 1.00 0.00 O ATOM 253 CB PHE A 17 -4.885 3.967 3.189 1.00 0.00 C ATOM 254 CG PHE A 17 -3.664 3.210 3.642 1.00 0.00 C ATOM 255 CD1 PHE A 17 -2.583 3.877 4.197 1.00 0.00 C ATOM 256 CD2 PHE A 17 -3.599 1.831 3.511 1.00 0.00 C ATOM 257 CE1 PHE A 17 -1.465 3.181 4.620 1.00 0.00 C ATOM 258 CE2 PHE A 17 -2.484 1.132 3.928 1.00 0.00 C ATOM 259 CZ PHE A 17 -1.415 1.810 4.481 1.00 0.00 C ATOM 0 H PHE A 17 -4.858 4.969 6.058 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.763 4.733 3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.416 3.371 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.569 4.885 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.614 4.952 4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.431 1.297 3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.632 3.711 5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.448 0.058 3.822 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.540 1.266 4.805 1.00 0.00 H new ATOM 269 N THR A 18 -6.912 2.132 4.467 1.00 0.00 N ATOM 270 CA THR A 18 -7.338 0.893 5.114 1.00 0.00 C ATOM 271 C THR A 18 -6.694 -0.321 4.447 1.00 0.00 C ATOM 272 O THR A 18 -7.019 -0.661 3.306 1.00 0.00 O ATOM 273 CB THR A 18 -8.868 0.768 5.070 1.00 0.00 C ATOM 274 OG1 THR A 18 -9.483 2.039 5.201 1.00 0.00 O ATOM 275 CG2 THR A 18 -9.434 -0.123 6.157 1.00 0.00 C ATOM 0 H THR A 18 -7.185 2.209 3.487 1.00 0.00 H new ATOM 0 HA THR A 18 -7.014 0.925 6.154 1.00 0.00 H new ATOM 0 HB THR A 18 -9.086 0.318 4.102 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.407 2.528 4.355 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.519 -0.165 6.065 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.022 -1.127 6.056 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.168 0.281 7.134 1.00 0.00 H new ATOM 283 N LEU A 19 -5.782 -0.971 5.169 1.00 0.00 N ATOM 284 CA LEU A 19 -5.091 -2.149 4.654 1.00 0.00 C ATOM 285 C LEU A 19 -5.668 -3.427 5.248 1.00 0.00 C ATOM 286 O LEU A 19 -5.735 -3.584 6.469 1.00 0.00 O ATOM 287 CB LEU A 19 -3.596 -2.086 4.972 1.00 0.00 C ATOM 288 CG LEU A 19 -2.660 -2.591 3.869 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.211 -2.533 4.338 1.00 0.00 C ATOM 290 CD2 LEU A 19 -3.027 -4.011 3.452 1.00 0.00 C ATOM 0 H LEU A 19 -5.505 -0.700 6.113 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.233 -2.159 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.335 -1.052 5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.411 -2.668 5.875 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.774 -1.942 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.557 -2.895 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.949 -1.504 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.089 -3.159 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.348 -4.347 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.945 -4.675 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.050 -4.027 3.077 1.00 0.00 H new ATOM 302 N SER A 20 -6.057 -4.344 4.372 1.00 0.00 N ATOM 303 CA SER A 20 -6.608 -5.630 4.788 1.00 0.00 C ATOM 304 C SER A 20 -6.333 -6.696 3.734 1.00 0.00 C ATOM 305 O SER A 20 -6.940 -6.692 2.660 1.00 0.00 O ATOM 306 CB SER A 20 -8.113 -5.535 5.041 1.00 0.00 C ATOM 307 OG SER A 20 -8.408 -4.675 6.133 1.00 0.00 O ATOM 0 H SER A 20 -6.001 -4.221 3.361 1.00 0.00 H new ATOM 0 HA SER A 20 -6.118 -5.910 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.611 -5.168 4.143 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.512 -6.529 5.242 1.00 0.00 H new ATOM 0 HG SER A 20 -7.574 -4.309 6.496 1.00 0.00 H new ATOM 313 N GLY A 21 -5.416 -7.604 4.044 1.00 0.00 N ATOM 314 CA GLY A 21 -5.078 -8.661 3.117 1.00 0.00 C ATOM 315 C GLY A 21 -4.366 -9.817 3.784 1.00 0.00 C ATOM 316 O GLY A 21 -3.142 -9.927 3.695 1.00 0.00 O ATOM 0 H GLY A 21 -4.900 -7.625 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.988 -9.026 2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.445 -8.257 2.327 1.00 0.00 H new ATOM 320 N GLN A 22 -5.135 -10.685 4.446 1.00 0.00 N ATOM 321 CA GLN A 22 -4.566 -11.857 5.122 1.00 0.00 C ATOM 322 C GLN A 22 -3.603 -12.584 4.186 1.00 0.00 C ATOM 323 O GLN A 22 -2.487 -12.935 4.571 1.00 0.00 O ATOM 324 CB GLN A 22 -5.675 -12.812 5.587 1.00 0.00 C ATOM 325 CG GLN A 22 -5.422 -13.421 6.958 1.00 0.00 C ATOM 326 CD GLN A 22 -4.155 -14.258 6.999 1.00 0.00 C ATOM 327 OE1 GLN A 22 -4.170 -15.441 6.655 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.050 -13.648 7.413 1.00 0.00 N ATOM 0 H GLN A 22 -6.148 -10.601 4.529 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.019 -11.515 6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.622 -12.272 5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.781 -13.614 4.857 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.351 -12.624 7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.273 -14.042 7.239 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.082 -12.667 7.689 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.169 -14.161 7.455 1.00 0.00 H new ATOM 337 N ALA A 23 -4.044 -12.777 2.943 1.00 0.00 N ATOM 338 CA ALA A 23 -3.232 -13.427 1.921 1.00 0.00 C ATOM 339 C ALA A 23 -2.916 -12.443 0.790 1.00 0.00 C ATOM 340 O ALA A 23 -1.764 -12.043 0.625 1.00 0.00 O ATOM 341 CB ALA A 23 -3.927 -14.678 1.390 1.00 0.00 C ATOM 0 H ALA A 23 -4.968 -12.489 2.620 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.290 -13.741 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.303 -15.146 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.089 -15.380 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.887 -14.403 0.953 1.00 0.00 H new ATOM 347 N PRO A 24 -3.937 -12.016 0.006 1.00 0.00 N ATOM 348 CA PRO A 24 -3.746 -11.065 -1.087 1.00 0.00 C ATOM 349 C PRO A 24 -3.788 -9.616 -0.604 1.00 0.00 C ATOM 350 O PRO A 24 -4.864 -9.027 -0.466 1.00 0.00 O ATOM 351 CB PRO A 24 -4.927 -11.364 -2.005 1.00 0.00 C ATOM 352 CG PRO A 24 -6.019 -11.794 -1.083 1.00 0.00 C ATOM 353 CD PRO A 24 -5.357 -12.410 0.129 1.00 0.00 C ATOM 0 HA PRO A 24 -2.774 -11.171 -1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.216 -10.484 -2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.683 -12.147 -2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.637 -10.944 -0.794 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.675 -12.514 -1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.795 -12.037 1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.470 -13.494 0.137 1.00 0.00 H new ATOM 361 N CYS A 25 -2.611 -9.048 -0.344 1.00 0.00 N ATOM 362 CA CYS A 25 -2.510 -7.669 0.128 1.00 0.00 C ATOM 363 C CYS A 25 -3.262 -6.722 -0.807 1.00 0.00 C ATOM 364 O CYS A 25 -2.947 -6.627 -1.995 1.00 0.00 O ATOM 365 CB CYS A 25 -1.042 -7.245 0.237 1.00 0.00 C ATOM 366 SG CYS A 25 -0.095 -8.179 1.464 1.00 0.00 S ATOM 0 H CYS A 25 -1.714 -9.522 -0.452 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.965 -7.615 1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.568 -7.361 -0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.998 -6.185 0.489 1.00 0.00 H new ATOM 0 HG CYS A 25 0.672 -9.037 0.859 1.00 0.00 H new ATOM 372 N VAL A 26 -4.271 -6.040 -0.267 1.00 0.00 N ATOM 373 CA VAL A 26 -5.081 -5.116 -1.057 1.00 0.00 C ATOM 374 C VAL A 26 -5.555 -3.929 -0.215 1.00 0.00 C ATOM 375 O VAL A 26 -5.768 -4.058 0.993 1.00 0.00 O ATOM 376 CB VAL A 26 -6.308 -5.836 -1.664 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.227 -6.368 -0.572 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.066 -4.914 -2.609 1.00 0.00 C ATOM 0 H VAL A 26 -4.546 -6.110 0.713 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.448 -4.744 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.945 -6.687 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.081 -6.869 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.680 -7.076 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.578 -5.540 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.924 -5.443 -3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.410 -4.036 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.407 -4.602 -3.419 1.00 0.00 H new ATOM 388 N LEU A 27 -5.728 -2.779 -0.865 1.00 0.00 N ATOM 389 CA LEU A 27 -6.189 -1.579 -0.177 1.00 0.00 C ATOM 390 C LEU A 27 -7.714 -1.536 -0.151 1.00 0.00 C ATOM 391 O LEU A 27 -8.347 -1.058 -1.094 1.00 0.00 O ATOM 392 CB LEU A 27 -5.638 -0.321 -0.855 1.00 0.00 C ATOM 393 CG LEU A 27 -4.419 0.300 -0.171 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.189 0.172 -1.059 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.686 1.758 0.173 1.00 0.00 C ATOM 0 H LEU A 27 -5.556 -2.655 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.820 -1.609 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.373 -0.567 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.430 0.426 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.229 -0.240 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.330 0.619 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.988 -0.882 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.367 0.687 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.808 2.184 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.901 2.314 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.541 1.822 0.847 1.00 0.00 H new ATOM 407 N SER A 28 -8.296 -2.050 0.937 1.00 0.00 N ATOM 408 CA SER A 28 -9.751 -2.082 1.103 1.00 0.00 C ATOM 409 C SER A 28 -10.384 -0.733 0.758 1.00 0.00 C ATOM 410 O SER A 28 -11.405 -0.677 0.071 1.00 0.00 O ATOM 411 CB SER A 28 -10.114 -2.480 2.535 1.00 0.00 C ATOM 412 OG SER A 28 -11.307 -3.246 2.567 1.00 0.00 O ATOM 0 H SER A 28 -7.778 -2.451 1.719 1.00 0.00 H new ATOM 0 HA SER A 28 -10.147 -2.827 0.412 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.298 -3.054 2.974 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.237 -1.585 3.144 1.00 0.00 H new ATOM 0 HG SER A 28 -11.515 -3.489 3.493 1.00 0.00 H new ATOM 418 N CYS A 29 -9.766 0.349 1.233 1.00 0.00 N ATOM 419 CA CYS A 29 -10.258 1.701 0.969 1.00 0.00 C ATOM 420 C CYS A 29 -9.270 2.754 1.465 1.00 0.00 C ATOM 421 O CYS A 29 -8.440 2.482 2.332 1.00 0.00 O ATOM 422 CB CYS A 29 -11.622 1.920 1.632 1.00 0.00 C ATOM 423 SG CYS A 29 -12.699 3.066 0.739 1.00 0.00 S ATOM 0 H CYS A 29 -8.922 0.315 1.804 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.365 1.806 -0.111 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.128 0.959 1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.467 2.297 2.643 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.827 3.185 1.374 1.00 0.00 H new ATOM 429 N VAL A 30 -9.373 3.961 0.909 1.00 0.00 N ATOM 430 CA VAL A 30 -8.495 5.065 1.293 1.00 0.00 C ATOM 431 C VAL A 30 -9.316 6.288 1.704 1.00 0.00 C ATOM 432 O VAL A 30 -10.462 6.451 1.278 1.00 0.00 O ATOM 433 CB VAL A 30 -7.531 5.455 0.146 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.498 6.462 0.627 1.00 0.00 C ATOM 435 CG2 VAL A 30 -6.842 4.220 -0.418 1.00 0.00 C ATOM 0 H VAL A 30 -10.057 4.199 0.190 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.901 4.723 2.141 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.119 5.918 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.832 6.721 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.003 7.360 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.917 6.027 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.169 4.515 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.272 3.729 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.592 3.531 -0.806 1.00 0.00 H new ATOM 445 N MET A 31 -8.721 7.143 2.536 1.00 0.00 N ATOM 446 CA MET A 31 -9.390 8.344 3.007 1.00 0.00 C ATOM 447 C MET A 31 -8.923 9.561 2.223 1.00 0.00 C ATOM 448 O MET A 31 -7.838 10.097 2.463 1.00 0.00 O ATOM 449 CB MET A 31 -9.136 8.563 4.501 1.00 0.00 C ATOM 450 CG MET A 31 -9.415 7.342 5.364 1.00 0.00 C ATOM 451 SD MET A 31 -10.107 7.771 6.974 1.00 0.00 S ATOM 452 CE MET A 31 -11.658 8.528 6.489 1.00 0.00 C ATOM 0 H MET A 31 -7.774 7.021 2.895 1.00 0.00 H new ATOM 0 HA MET A 31 -10.460 8.210 2.851 1.00 0.00 H new ATOM 0 HB2 MET A 31 -8.098 8.865 4.642 1.00 0.00 H new ATOM 0 HB3 MET A 31 -9.758 9.389 4.847 1.00 0.00 H new ATOM 0 HG2 MET A 31 -10.106 6.682 4.840 1.00 0.00 H new ATOM 0 HG3 MET A 31 -8.489 6.785 5.508 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.397 8.381 7.277 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.507 9.595 6.327 1.00 0.00 H new ATOM 0 HE3 MET A 31 -12.015 8.068 5.567 1.00 0.00 H new ATOM 462 N ARG A 32 -9.758 9.979 1.281 1.00 0.00 N ATOM 463 CA ARG A 32 -9.471 11.131 0.434 1.00 0.00 C ATOM 464 C ARG A 32 -9.053 12.335 1.277 1.00 0.00 C ATOM 465 O ARG A 32 -9.777 12.753 2.181 1.00 0.00 O ATOM 466 CB ARG A 32 -10.693 11.479 -0.416 1.00 0.00 C ATOM 467 CG ARG A 32 -10.801 10.647 -1.684 1.00 0.00 C ATOM 468 CD ARG A 32 -11.266 11.481 -2.867 1.00 0.00 C ATOM 469 NE ARG A 32 -12.627 11.983 -2.688 1.00 0.00 N ATOM 470 CZ ARG A 32 -13.728 11.230 -2.784 1.00 0.00 C ATOM 471 NH1 ARG A 32 -13.635 9.929 -3.064 1.00 0.00 N ATOM 472 NH2 ARG A 32 -14.927 11.777 -2.600 1.00 0.00 N ATOM 0 H ARG A 32 -10.652 9.530 1.082 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.643 10.873 -0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.594 11.338 0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.651 12.534 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.832 10.202 -1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.499 9.825 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.586 12.321 -3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.219 10.879 -3.774 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.745 12.974 -2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.720 9.502 -3.206 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.479 9.361 -3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.007 12.771 -2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.766 11.202 -2.673 1.00 0.00 H new ATOM 486 N GLY A 33 -7.874 12.871 0.975 1.00 0.00 N ATOM 487 CA GLY A 33 -7.354 14.008 1.713 1.00 0.00 C ATOM 488 C GLY A 33 -6.168 13.644 2.597 1.00 0.00 C ATOM 489 O GLY A 33 -5.805 14.405 3.496 1.00 0.00 O ATOM 0 H GLY A 33 -7.266 12.535 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.053 14.785 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.147 14.428 2.331 1.00 0.00 H new ATOM 493 N SER A 34 -5.558 12.485 2.334 1.00 0.00 N ATOM 494 CA SER A 34 -4.405 12.027 3.099 1.00 0.00 C ATOM 495 C SER A 34 -3.201 11.823 2.176 1.00 0.00 C ATOM 496 O SER A 34 -3.352 11.800 0.953 1.00 0.00 O ATOM 497 CB SER A 34 -4.741 10.720 3.829 1.00 0.00 C ATOM 498 OG SER A 34 -5.187 10.971 5.153 1.00 0.00 O ATOM 0 H SER A 34 -5.848 11.847 1.593 1.00 0.00 H new ATOM 0 HA SER A 34 -4.152 12.787 3.838 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.512 10.181 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.860 10.078 3.855 1.00 0.00 H new ATOM 0 HG SER A 34 -5.931 10.370 5.367 1.00 0.00 H new ATOM 504 N PRO A 35 -1.987 11.668 2.749 1.00 0.00 N ATOM 505 CA PRO A 35 -0.753 11.466 1.971 1.00 0.00 C ATOM 506 C PRO A 35 -0.879 10.372 0.906 1.00 0.00 C ATOM 507 O PRO A 35 -0.243 10.449 -0.147 1.00 0.00 O ATOM 508 CB PRO A 35 0.270 11.061 3.031 1.00 0.00 C ATOM 509 CG PRO A 35 -0.217 11.701 4.283 1.00 0.00 C ATOM 510 CD PRO A 35 -1.720 11.683 4.201 1.00 0.00 C ATOM 0 HA PRO A 35 -0.486 12.362 1.410 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.326 9.977 3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.270 11.408 2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.132 11.157 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.157 12.721 4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.138 10.806 4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -2.158 12.558 4.681 1.00 0.00 H new ATOM 518 N ALA A 36 -1.703 9.360 1.184 1.00 0.00 N ATOM 519 CA ALA A 36 -1.915 8.260 0.247 1.00 0.00 C ATOM 520 C ALA A 36 -2.712 8.721 -0.973 1.00 0.00 C ATOM 521 O ALA A 36 -2.323 8.460 -2.113 1.00 0.00 O ATOM 522 CB ALA A 36 -2.621 7.098 0.938 1.00 0.00 C ATOM 0 H ALA A 36 -2.234 9.281 2.051 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.939 7.919 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.771 6.287 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.010 6.743 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.587 7.432 1.316 1.00 0.00 H new ATOM 528 N ASP A 37 -3.825 9.411 -0.723 1.00 0.00 N ATOM 529 CA ASP A 37 -4.681 9.916 -1.798 1.00 0.00 C ATOM 530 C ASP A 37 -3.972 10.994 -2.619 1.00 0.00 C ATOM 531 O ASP A 37 -4.209 11.120 -3.821 1.00 0.00 O ATOM 532 CB ASP A 37 -5.985 10.472 -1.227 1.00 0.00 C ATOM 533 CG ASP A 37 -7.201 10.025 -2.015 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.765 8.960 -1.681 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.592 10.738 -2.961 1.00 0.00 O ATOM 0 H ASP A 37 -4.156 9.634 0.216 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.907 9.079 -2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.090 10.152 -0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.940 11.561 -1.221 1.00 0.00 H new ATOM 540 N PHE A 38 -3.107 11.772 -1.963 1.00 0.00 N ATOM 541 CA PHE A 38 -2.364 12.842 -2.635 1.00 0.00 C ATOM 542 C PHE A 38 -1.527 12.299 -3.795 1.00 0.00 C ATOM 543 O PHE A 38 -1.283 13.006 -4.773 1.00 0.00 O ATOM 544 CB PHE A 38 -1.454 13.571 -1.639 1.00 0.00 C ATOM 545 CG PHE A 38 -2.186 14.238 -0.502 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.534 14.555 -0.605 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.521 14.547 0.675 1.00 0.00 C ATOM 548 CE1 PHE A 38 -4.200 15.168 0.440 1.00 0.00 C ATOM 549 CE2 PHE A 38 -2.183 15.158 1.723 1.00 0.00 C ATOM 550 CZ PHE A 38 -3.524 15.469 1.606 1.00 0.00 C ATOM 0 H PHE A 38 -2.904 11.681 -0.968 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.094 13.544 -3.038 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.741 12.857 -1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.877 14.324 -2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.069 14.320 -1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.473 14.307 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.248 15.411 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.652 15.392 2.634 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.042 15.946 2.424 1.00 0.00 H new ATOM 560 N VAL A 39 -1.093 11.042 -3.686 1.00 0.00 N ATOM 561 CA VAL A 39 -0.292 10.410 -4.733 1.00 0.00 C ATOM 562 C VAL A 39 -1.187 9.716 -5.763 1.00 0.00 C ATOM 563 O VAL A 39 -0.856 9.661 -6.948 1.00 0.00 O ATOM 564 CB VAL A 39 0.702 9.383 -4.144 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.678 8.903 -5.211 1.00 0.00 C ATOM 566 CG2 VAL A 39 1.450 9.973 -2.955 1.00 0.00 C ATOM 0 H VAL A 39 -1.283 10.443 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 39 0.274 11.202 -5.223 1.00 0.00 H new ATOM 0 HB VAL A 39 0.132 8.523 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.368 8.181 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.126 8.431 -6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.239 9.753 -5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.144 9.232 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.005 10.855 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.737 10.255 -2.180 1.00 0.00 H new ATOM 576 N GLY A 40 -2.326 9.193 -5.302 1.00 0.00 N ATOM 577 CA GLY A 40 -3.255 8.517 -6.190 1.00 0.00 C ATOM 578 C GLY A 40 -3.610 7.121 -5.712 1.00 0.00 C ATOM 579 O GLY A 40 -3.516 6.155 -6.474 1.00 0.00 O ATOM 0 H GLY A 40 -2.619 9.228 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.166 9.110 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.819 8.455 -7.187 1.00 0.00 H new ATOM 583 N LEU A 41 -4.022 7.017 -4.447 1.00 0.00 N ATOM 584 CA LEU A 41 -4.396 5.734 -3.857 1.00 0.00 C ATOM 585 C LEU A 41 -5.871 5.727 -3.464 1.00 0.00 C ATOM 586 O LEU A 41 -6.341 6.636 -2.780 1.00 0.00 O ATOM 587 CB LEU A 41 -3.531 5.443 -2.625 1.00 0.00 C ATOM 588 CG LEU A 41 -2.486 4.340 -2.805 1.00 0.00 C ATOM 589 CD1 LEU A 41 -1.572 4.268 -1.592 1.00 0.00 C ATOM 590 CD2 LEU A 41 -3.165 3.000 -3.046 1.00 0.00 C ATOM 0 H LEU A 41 -4.105 7.810 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.230 4.957 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.020 6.361 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.186 5.169 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.877 4.579 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.835 3.478 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.061 5.222 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.164 4.052 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.408 2.226 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.797 2.754 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.777 3.059 -3.946 1.00 0.00 H new ATOM 602 N ARG A 42 -6.593 4.691 -3.899 1.00 0.00 N ATOM 603 CA ARG A 42 -8.008 4.553 -3.596 1.00 0.00 C ATOM 604 C ARG A 42 -8.330 3.099 -3.227 1.00 0.00 C ATOM 605 O ARG A 42 -7.463 2.365 -2.745 1.00 0.00 O ATOM 606 CB ARG A 42 -8.846 5.015 -4.799 1.00 0.00 C ATOM 607 CG ARG A 42 -8.713 4.122 -6.025 1.00 0.00 C ATOM 608 CD ARG A 42 -9.249 4.805 -7.273 1.00 0.00 C ATOM 609 NE ARG A 42 -8.315 4.711 -8.393 1.00 0.00 N ATOM 610 CZ ARG A 42 -8.361 5.491 -9.477 1.00 0.00 C ATOM 611 NH1 ARG A 42 -9.303 6.423 -9.603 1.00 0.00 N ATOM 612 NH2 ARG A 42 -7.462 5.333 -10.442 1.00 0.00 N ATOM 0 H ARG A 42 -6.211 3.934 -4.466 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.257 5.182 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.895 5.056 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.550 6.029 -5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.665 3.860 -6.174 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.254 3.190 -5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.199 4.351 -7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.449 5.854 -7.055 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.581 4.005 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.999 6.547 -8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.329 7.013 -10.435 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.740 4.618 -10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.494 5.927 -11.271 1.00 0.00 H new ATOM 626 N ALA A 43 -9.571 2.690 -3.464 1.00 0.00 N ATOM 627 CA ALA A 43 -10.012 1.331 -3.170 1.00 0.00 C ATOM 628 C ALA A 43 -10.013 0.477 -4.433 1.00 0.00 C ATOM 629 O ALA A 43 -10.251 0.980 -5.533 1.00 0.00 O ATOM 630 CB ALA A 43 -11.401 1.342 -2.545 1.00 0.00 C ATOM 0 H ALA A 43 -10.296 3.286 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.311 0.896 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.713 0.319 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.378 1.914 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.108 1.801 -3.237 1.00 0.00 H new ATOM 636 N GLY A 44 -9.744 -0.817 -4.265 1.00 0.00 N ATOM 637 CA GLY A 44 -9.716 -1.730 -5.399 1.00 0.00 C ATOM 638 C GLY A 44 -8.309 -2.020 -5.901 1.00 0.00 C ATOM 639 O GLY A 44 -8.082 -3.035 -6.564 1.00 0.00 O ATOM 0 H GLY A 44 -9.545 -1.250 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.194 -2.668 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.305 -1.307 -6.213 1.00 0.00 H new ATOM 643 N ASP A 45 -7.360 -1.131 -5.588 1.00 0.00 N ATOM 644 CA ASP A 45 -5.974 -1.303 -6.018 1.00 0.00 C ATOM 645 C ASP A 45 -5.315 -2.466 -5.276 1.00 0.00 C ATOM 646 O ASP A 45 -5.162 -2.429 -4.052 1.00 0.00 O ATOM 647 CB ASP A 45 -5.178 -0.013 -5.788 1.00 0.00 C ATOM 648 CG ASP A 45 -5.074 0.836 -7.040 1.00 0.00 C ATOM 649 OD1 ASP A 45 -4.360 0.426 -7.982 1.00 0.00 O ATOM 650 OD2 ASP A 45 -5.706 1.914 -7.080 1.00 0.00 O ATOM 0 H ASP A 45 -7.529 -0.288 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.976 -1.531 -7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.654 0.568 -4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.176 -0.265 -5.440 1.00 0.00 H new ATOM 655 N GLN A 46 -4.922 -3.497 -6.029 1.00 0.00 N ATOM 656 CA GLN A 46 -4.276 -4.667 -5.448 1.00 0.00 C ATOM 657 C GLN A 46 -2.809 -4.373 -5.152 1.00 0.00 C ATOM 658 O GLN A 46 -2.092 -3.844 -6.003 1.00 0.00 O ATOM 659 CB GLN A 46 -4.386 -5.868 -6.395 1.00 0.00 C ATOM 660 CG GLN A 46 -5.355 -6.942 -5.921 1.00 0.00 C ATOM 661 CD GLN A 46 -4.692 -8.298 -5.762 1.00 0.00 C ATOM 662 OE1 GLN A 46 -4.739 -8.904 -4.692 1.00 0.00 O ATOM 663 NE2 GLN A 46 -4.071 -8.786 -6.832 1.00 0.00 N ATOM 0 H GLN A 46 -5.042 -3.541 -7.041 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.784 -4.908 -4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.702 -5.516 -7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.398 -6.313 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.788 -6.640 -4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.176 -7.025 -6.633 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.055 -8.251 -7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.610 -9.695 -6.784 1.00 0.00 H new ATOM 672 N ILE A 47 -2.370 -4.720 -3.947 1.00 0.00 N ATOM 673 CA ILE A 47 -0.987 -4.496 -3.542 1.00 0.00 C ATOM 674 C ILE A 47 -0.093 -5.639 -4.016 1.00 0.00 C ATOM 675 O ILE A 47 -0.311 -6.798 -3.655 1.00 0.00 O ATOM 676 CB ILE A 47 -0.844 -4.354 -2.011 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.852 -3.337 -1.462 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.576 -3.945 -1.650 1.00 0.00 C ATOM 679 CD1 ILE A 47 -2.041 -3.429 0.039 1.00 0.00 C ATOM 0 H ILE A 47 -2.952 -5.158 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.675 -3.561 -4.007 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.055 -5.321 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.519 -2.331 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.814 -3.489 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.663 -3.848 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.274 -4.704 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.810 -2.989 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.767 -2.682 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.404 -4.423 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.089 -3.248 0.537 1.00 0.00 H new ATOM 691 N LEU A 48 0.906 -5.307 -4.828 1.00 0.00 N ATOM 692 CA LEU A 48 1.831 -6.307 -5.357 1.00 0.00 C ATOM 693 C LEU A 48 3.198 -6.223 -4.670 1.00 0.00 C ATOM 694 O LEU A 48 3.807 -7.250 -4.364 1.00 0.00 O ATOM 695 CB LEU A 48 1.973 -6.143 -6.874 1.00 0.00 C ATOM 696 CG LEU A 48 0.666 -6.300 -7.666 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.004 -4.946 -7.891 1.00 0.00 C ATOM 698 CD2 LEU A 48 0.920 -6.995 -8.998 1.00 0.00 C ATOM 0 H LEU A 48 1.097 -4.353 -5.135 1.00 0.00 H new ATOM 0 HA LEU A 48 1.420 -7.295 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.390 -5.157 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.692 -6.876 -7.239 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.011 -6.920 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.920 -5.082 -8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.222 -4.487 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.679 -4.300 -8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.020 -7.095 -9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.620 -6.404 -9.589 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.342 -7.984 -8.818 1.00 0.00 H new ATOM 710 N ALA A 49 3.672 -4.998 -4.423 1.00 0.00 N ATOM 711 CA ALA A 49 4.963 -4.781 -3.768 1.00 0.00 C ATOM 712 C ALA A 49 4.826 -3.818 -2.585 1.00 0.00 C ATOM 713 O ALA A 49 4.160 -2.787 -2.689 1.00 0.00 O ATOM 714 CB ALA A 49 5.978 -4.245 -4.768 1.00 0.00 C ATOM 0 H ALA A 49 3.178 -4.140 -4.668 1.00 0.00 H new ATOM 0 HA ALA A 49 5.314 -5.740 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.934 -4.088 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.106 -4.964 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.622 -3.299 -5.176 1.00 0.00 H new ATOM 720 N VAL A 50 5.467 -4.158 -1.463 1.00 0.00 N ATOM 721 CA VAL A 50 5.430 -3.324 -0.259 1.00 0.00 C ATOM 722 C VAL A 50 6.823 -3.210 0.344 1.00 0.00 C ATOM 723 O VAL A 50 7.363 -4.189 0.859 1.00 0.00 O ATOM 724 CB VAL A 50 4.465 -3.885 0.815 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.168 -2.833 1.875 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.176 -4.379 0.177 1.00 0.00 C ATOM 0 H VAL A 50 6.020 -5.009 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 50 5.067 -2.343 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 50 4.953 -4.731 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.488 -3.248 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.097 -2.532 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.706 -1.964 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.513 -4.769 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.686 -3.553 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.404 -5.170 -0.538 1.00 0.00 H new ATOM 736 N ASN A 51 7.413 -2.015 0.253 1.00 0.00 N ATOM 737 CA ASN A 51 8.762 -1.770 0.765 1.00 0.00 C ATOM 738 C ASN A 51 9.793 -2.376 -0.192 1.00 0.00 C ATOM 739 O ASN A 51 10.847 -2.855 0.227 1.00 0.00 O ATOM 740 CB ASN A 51 8.924 -2.343 2.184 1.00 0.00 C ATOM 741 CG ASN A 51 10.128 -1.777 2.920 1.00 0.00 C ATOM 742 OD1 ASN A 51 11.014 -2.518 3.342 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.161 -0.458 3.089 1.00 0.00 N ATOM 0 H ASN A 51 6.974 -1.199 -0.173 1.00 0.00 H new ATOM 0 HA ASN A 51 8.927 -0.694 0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.022 -2.134 2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.019 -3.427 2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.942 -0.027 3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.406 0.122 2.723 1.00 0.00 H new ATOM 750 N GLU A 52 9.455 -2.343 -1.489 1.00 0.00 N ATOM 751 CA GLU A 52 10.301 -2.867 -2.564 1.00 0.00 C ATOM 752 C GLU A 52 10.247 -4.401 -2.668 1.00 0.00 C ATOM 753 O GLU A 52 10.824 -4.977 -3.595 1.00 0.00 O ATOM 754 CB GLU A 52 11.754 -2.364 -2.426 1.00 0.00 C ATOM 755 CG GLU A 52 12.740 -3.376 -1.839 1.00 0.00 C ATOM 756 CD GLU A 52 14.153 -3.206 -2.376 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.314 -3.076 -3.609 1.00 0.00 O ATOM 758 OE2 GLU A 52 15.099 -3.208 -1.561 1.00 0.00 O ATOM 0 H GLU A 52 8.576 -1.947 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 52 9.895 -2.479 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.112 -2.061 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.755 -1.473 -1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.754 -3.274 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.392 -4.385 -2.060 1.00 0.00 H new ATOM 765 N ILE A 53 9.551 -5.063 -1.738 1.00 0.00 N ATOM 766 CA ILE A 53 9.438 -6.520 -1.765 1.00 0.00 C ATOM 767 C ILE A 53 7.987 -6.964 -1.963 1.00 0.00 C ATOM 768 O ILE A 53 7.077 -6.482 -1.282 1.00 0.00 O ATOM 769 CB ILE A 53 10.017 -7.162 -0.483 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.234 -6.717 0.756 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.491 -6.810 -0.338 1.00 0.00 C ATOM 772 CD1 ILE A 53 8.245 -7.751 1.242 1.00 0.00 C ATOM 0 H ILE A 53 9.062 -4.615 -0.964 1.00 0.00 H new ATOM 0 HA ILE A 53 10.026 -6.865 -2.615 1.00 0.00 H new ATOM 0 HB ILE A 53 9.922 -8.244 -0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.936 -6.490 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.701 -5.794 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.887 -7.268 0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.041 -7.182 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.602 -5.727 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.725 -7.372 2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.521 -7.960 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.775 -8.668 1.501 1.00 0.00 H new ATOM 784 N ASN A 54 7.783 -7.875 -2.913 1.00 0.00 N ATOM 785 CA ASN A 54 6.460 -8.395 -3.237 1.00 0.00 C ATOM 786 C ASN A 54 5.886 -9.226 -2.095 1.00 0.00 C ATOM 787 O ASN A 54 6.603 -9.976 -1.431 1.00 0.00 O ATOM 788 CB ASN A 54 6.525 -9.248 -4.505 1.00 0.00 C ATOM 789 CG ASN A 54 6.292 -8.438 -5.768 1.00 0.00 C ATOM 790 OD1 ASN A 54 6.943 -7.418 -5.994 1.00 0.00 O ATOM 791 ND2 ASN A 54 5.362 -8.889 -6.603 1.00 0.00 N ATOM 0 H ASN A 54 8.533 -8.272 -3.479 1.00 0.00 H new ATOM 0 HA ASN A 54 5.803 -7.540 -3.400 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.500 -9.732 -4.563 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.779 -10.041 -4.444 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.166 -8.385 -7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.844 -9.739 -6.379 1.00 0.00 H new ATOM 798 N VAL A 55 4.582 -9.082 -1.884 1.00 0.00 N ATOM 799 CA VAL A 55 3.885 -9.813 -0.827 1.00 0.00 C ATOM 800 C VAL A 55 2.481 -10.241 -1.274 1.00 0.00 C ATOM 801 O VAL A 55 1.492 -9.995 -0.578 1.00 0.00 O ATOM 802 CB VAL A 55 3.787 -8.970 0.466 1.00 0.00 C ATOM 803 CG1 VAL A 55 5.127 -8.944 1.189 1.00 0.00 C ATOM 804 CG2 VAL A 55 3.315 -7.553 0.158 1.00 0.00 C ATOM 0 H VAL A 55 3.983 -8.464 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 55 4.471 -10.708 -0.619 1.00 0.00 H new ATOM 0 HB VAL A 55 3.051 -9.436 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.039 -8.346 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.419 -9.961 1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.883 -8.506 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.254 -6.980 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.021 -7.073 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.331 -7.591 -0.310 1.00 0.00 H new ATOM 814 N LYS A 56 2.404 -10.887 -2.441 1.00 0.00 N ATOM 815 CA LYS A 56 1.122 -11.353 -2.987 1.00 0.00 C ATOM 816 C LYS A 56 0.412 -12.306 -2.025 1.00 0.00 C ATOM 817 O LYS A 56 -0.817 -12.299 -1.938 1.00 0.00 O ATOM 818 CB LYS A 56 1.327 -12.037 -4.343 1.00 0.00 C ATOM 819 CG LYS A 56 1.300 -11.079 -5.524 1.00 0.00 C ATOM 820 CD LYS A 56 1.384 -11.823 -6.851 1.00 0.00 C ATOM 821 CE LYS A 56 0.020 -12.346 -7.292 1.00 0.00 C ATOM 822 NZ LYS A 56 -0.829 -11.277 -7.894 1.00 0.00 N ATOM 0 H LYS A 56 3.212 -11.100 -3.026 1.00 0.00 H new ATOM 0 HA LYS A 56 0.490 -10.475 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.283 -12.561 -4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.551 -12.790 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.384 -10.489 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.132 -10.379 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.784 -11.158 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.080 -12.656 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.158 -13.148 -8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.496 -12.777 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.745 -11.680 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.984 -10.522 -7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.350 -10.883 -8.729 1.00 0.00 H new ATOM 836 N LYS A 57 1.186 -13.122 -1.310 1.00 0.00 N ATOM 837 CA LYS A 57 0.624 -14.072 -0.352 1.00 0.00 C ATOM 838 C LYS A 57 1.439 -14.092 0.945 1.00 0.00 C ATOM 839 O LYS A 57 1.587 -15.140 1.580 1.00 0.00 O ATOM 840 CB LYS A 57 0.570 -15.481 -0.958 1.00 0.00 C ATOM 841 CG LYS A 57 -0.081 -15.543 -2.332 1.00 0.00 C ATOM 842 CD LYS A 57 -1.060 -16.701 -2.435 1.00 0.00 C ATOM 843 CE LYS A 57 -1.227 -17.165 -3.874 1.00 0.00 C ATOM 844 NZ LYS A 57 -2.657 -17.413 -4.221 1.00 0.00 N ATOM 0 H LYS A 57 2.204 -13.144 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.390 -13.749 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.585 -15.872 -1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.024 -16.136 -0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.602 -14.606 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.689 -15.648 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.708 -17.531 -1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.027 -16.397 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.816 -16.413 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.653 -18.079 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.725 -17.727 -5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.043 -18.150 -3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.201 -16.535 -4.099 1.00 0.00 H new ATOM 858 N ALA A 58 1.969 -12.928 1.335 1.00 0.00 N ATOM 859 CA ALA A 58 2.771 -12.814 2.549 1.00 0.00 C ATOM 860 C ALA A 58 1.894 -12.778 3.800 1.00 0.00 C ATOM 861 O ALA A 58 0.678 -12.966 3.725 1.00 0.00 O ATOM 862 CB ALA A 58 3.651 -11.573 2.483 1.00 0.00 C ATOM 0 H ALA A 58 1.855 -12.053 0.824 1.00 0.00 H new ATOM 0 HA ALA A 58 3.405 -13.698 2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.244 -11.499 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.316 -11.644 1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.024 -10.687 2.386 1.00 0.00 H new ATOM 868 N SER A 59 2.521 -12.528 4.950 1.00 0.00 N ATOM 869 CA SER A 59 1.807 -12.459 6.220 1.00 0.00 C ATOM 870 C SER A 59 1.436 -11.026 6.552 1.00 0.00 C ATOM 871 O SER A 59 2.206 -10.094 6.313 1.00 0.00 O ATOM 872 CB SER A 59 2.655 -13.060 7.348 1.00 0.00 C ATOM 873 OG SER A 59 4.042 -12.926 7.082 1.00 0.00 O ATOM 0 H SER A 59 3.526 -12.370 5.025 1.00 0.00 H new ATOM 0 HA SER A 59 0.890 -13.040 6.124 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.414 -12.565 8.289 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.407 -14.114 7.469 1.00 0.00 H new ATOM 0 HG SER A 59 4.556 -13.317 7.819 1.00 0.00 H new ATOM 879 N HIS A 60 0.242 -10.870 7.101 1.00 0.00 N ATOM 880 CA HIS A 60 -0.281 -9.565 7.482 1.00 0.00 C ATOM 881 C HIS A 60 0.700 -8.810 8.380 1.00 0.00 C ATOM 882 O HIS A 60 0.923 -7.614 8.194 1.00 0.00 O ATOM 883 CB HIS A 60 -1.614 -9.760 8.194 1.00 0.00 C ATOM 884 CG HIS A 60 -2.615 -8.680 7.914 1.00 0.00 C ATOM 885 ND1 HIS A 60 -3.920 -8.939 7.558 1.00 0.00 N ATOM 886 CD2 HIS A 60 -2.497 -7.332 7.955 1.00 0.00 C ATOM 887 CE1 HIS A 60 -4.563 -7.796 7.393 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.722 -6.807 7.627 1.00 0.00 N ATOM 0 H HIS A 60 -0.393 -11.644 7.296 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.423 -8.964 6.584 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.037 -10.720 7.897 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.437 -9.809 9.268 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.605 -6.774 8.200 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.601 -7.690 7.114 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.946 -5.813 7.573 1.00 0.00 H new ATOM 897 N GLU A 61 1.283 -9.521 9.344 1.00 0.00 N ATOM 898 CA GLU A 61 2.251 -8.929 10.268 1.00 0.00 C ATOM 899 C GLU A 61 3.525 -8.518 9.541 1.00 0.00 C ATOM 900 O GLU A 61 4.141 -7.508 9.876 1.00 0.00 O ATOM 901 CB GLU A 61 2.589 -9.906 11.398 1.00 0.00 C ATOM 902 CG GLU A 61 1.397 -10.255 12.279 1.00 0.00 C ATOM 903 CD GLU A 61 1.690 -10.122 13.763 1.00 0.00 C ATOM 904 OE1 GLU A 61 2.277 -9.093 14.168 1.00 0.00 O ATOM 905 OE2 GLU A 61 1.327 -11.045 14.521 1.00 0.00 O ATOM 0 H GLU A 61 1.101 -10.511 9.506 1.00 0.00 H new ATOM 0 HA GLU A 61 1.794 -8.037 10.696 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.992 -10.822 10.966 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.374 -9.474 12.018 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.560 -9.606 12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.084 -11.277 12.067 1.00 0.00 H new ATOM 912 N ASP A 62 3.914 -9.296 8.535 1.00 0.00 N ATOM 913 CA ASP A 62 5.106 -8.986 7.762 1.00 0.00 C ATOM 914 C ASP A 62 4.860 -7.770 6.876 1.00 0.00 C ATOM 915 O ASP A 62 5.738 -6.923 6.710 1.00 0.00 O ATOM 916 CB ASP A 62 5.529 -10.184 6.906 1.00 0.00 C ATOM 917 CG ASP A 62 6.946 -10.046 6.385 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.871 -9.873 7.210 1.00 0.00 O ATOM 919 OD2 ASP A 62 7.133 -10.106 5.153 1.00 0.00 O ATOM 0 H ASP A 62 3.423 -10.140 8.240 1.00 0.00 H new ATOM 0 HA ASP A 62 5.913 -8.760 8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.449 -11.096 7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.843 -10.287 6.065 1.00 0.00 H new ATOM 924 N VAL A 63 3.652 -7.686 6.321 1.00 0.00 N ATOM 925 CA VAL A 63 3.281 -6.571 5.459 1.00 0.00 C ATOM 926 C VAL A 63 3.226 -5.263 6.247 1.00 0.00 C ATOM 927 O VAL A 63 3.756 -4.244 5.802 1.00 0.00 O ATOM 928 CB VAL A 63 1.924 -6.815 4.761 1.00 0.00 C ATOM 929 CG1 VAL A 63 1.596 -5.677 3.804 1.00 0.00 C ATOM 930 CG2 VAL A 63 1.927 -8.151 4.025 1.00 0.00 C ATOM 0 H VAL A 63 2.915 -8.378 6.454 1.00 0.00 H new ATOM 0 HA VAL A 63 4.052 -6.493 4.693 1.00 0.00 H new ATOM 0 HB VAL A 63 1.151 -6.849 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.637 -5.870 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.542 -4.740 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.374 -5.605 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.962 -8.302 3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.715 -8.149 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.107 -8.958 4.736 1.00 0.00 H new ATOM 940 N VAL A 64 2.611 -5.301 7.431 1.00 0.00 N ATOM 941 CA VAL A 64 2.524 -4.122 8.279 1.00 0.00 C ATOM 942 C VAL A 64 3.908 -3.729 8.767 1.00 0.00 C ATOM 943 O VAL A 64 4.239 -2.544 8.833 1.00 0.00 O ATOM 944 CB VAL A 64 1.577 -4.319 9.487 1.00 0.00 C ATOM 945 CG1 VAL A 64 0.126 -4.181 9.053 1.00 0.00 C ATOM 946 CG2 VAL A 64 1.810 -5.654 10.176 1.00 0.00 C ATOM 0 H VAL A 64 2.169 -6.135 7.819 1.00 0.00 H new ATOM 0 HA VAL A 64 2.102 -3.324 7.669 1.00 0.00 H new ATOM 0 HB VAL A 64 1.801 -3.537 10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.526 -4.322 9.915 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.036 -3.188 8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.101 -4.934 8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.125 -5.753 11.018 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.634 -6.464 9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.838 -5.703 10.536 1.00 0.00 H new ATOM 956 N LYS A 65 4.720 -4.737 9.095 1.00 0.00 N ATOM 957 CA LYS A 65 6.075 -4.503 9.567 1.00 0.00 C ATOM 958 C LYS A 65 6.894 -3.744 8.524 1.00 0.00 C ATOM 959 O LYS A 65 7.682 -2.860 8.867 1.00 0.00 O ATOM 960 CB LYS A 65 6.770 -5.825 9.920 1.00 0.00 C ATOM 961 CG LYS A 65 6.845 -6.099 11.417 1.00 0.00 C ATOM 962 CD LYS A 65 5.461 -6.221 12.041 1.00 0.00 C ATOM 963 CE LYS A 65 5.412 -5.591 13.426 1.00 0.00 C ATOM 964 NZ LYS A 65 4.499 -6.330 14.348 1.00 0.00 N ATOM 0 H LYS A 65 4.457 -5.721 9.040 1.00 0.00 H new ATOM 0 HA LYS A 65 6.009 -3.894 10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.239 -6.645 9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.780 -5.814 9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.404 -7.019 11.590 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.395 -5.295 11.906 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.727 -5.739 11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.184 -7.273 12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.416 -5.571 13.850 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.081 -4.556 13.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.496 -5.867 15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.535 -6.328 13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.829 -7.311 14.451 1.00 0.00 H new ATOM 978 N LEU A 66 6.696 -4.089 7.248 1.00 0.00 N ATOM 979 CA LEU A 66 7.410 -3.433 6.154 1.00 0.00 C ATOM 980 C LEU A 66 6.999 -1.968 6.038 1.00 0.00 C ATOM 981 O LEU A 66 7.843 -1.093 5.833 1.00 0.00 O ATOM 982 CB LEU A 66 7.147 -4.150 4.828 1.00 0.00 C ATOM 983 CG LEU A 66 7.726 -5.562 4.724 1.00 0.00 C ATOM 984 CD1 LEU A 66 6.912 -6.399 3.750 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.188 -5.510 4.299 1.00 0.00 C ATOM 0 H LEU A 66 6.048 -4.818 6.950 1.00 0.00 H new ATOM 0 HA LEU A 66 8.476 -3.482 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.070 -4.204 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.558 -3.546 4.019 1.00 0.00 H new ATOM 0 HG LEU A 66 7.673 -6.031 5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.337 -7.401 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.881 -6.463 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.933 -5.934 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.583 -6.524 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.267 -5.023 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.761 -4.946 5.035 1.00 0.00 H new ATOM 997 N ILE A 67 5.701 -1.707 6.174 1.00 0.00 N ATOM 998 CA ILE A 67 5.178 -0.344 6.092 1.00 0.00 C ATOM 999 C ILE A 67 5.641 0.484 7.282 1.00 0.00 C ATOM 1000 O ILE A 67 6.028 1.644 7.128 1.00 0.00 O ATOM 1001 CB ILE A 67 3.635 -0.326 6.021 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.142 -1.243 4.898 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.129 1.096 5.815 1.00 0.00 C ATOM 1004 CD1 ILE A 67 1.682 -1.613 5.016 1.00 0.00 C ATOM 0 H ILE A 67 4.992 -2.421 6.341 1.00 0.00 H new ATOM 0 HA ILE A 67 5.569 0.093 5.173 1.00 0.00 H new ATOM 0 HB ILE A 67 3.239 -0.697 6.966 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.307 -0.751 3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.740 -2.154 4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.040 1.091 5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.453 1.722 6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.531 1.494 4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.403 -2.264 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.514 -2.134 5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.074 -0.709 4.988 1.00 0.00 H new ATOM 1016 N GLY A 68 5.625 -0.125 8.467 1.00 0.00 N ATOM 1017 CA GLY A 68 6.071 0.564 9.667 1.00 0.00 C ATOM 1018 C GLY A 68 7.591 0.680 9.757 1.00 0.00 C ATOM 1019 O GLY A 68 8.120 1.107 10.787 1.00 0.00 O ATOM 0 H GLY A 68 5.311 -1.084 8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.634 1.562 9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.700 0.033 10.544 1.00 0.00 H new ATOM 1023 N LYS A 69 8.292 0.315 8.677 1.00 0.00 N ATOM 1024 CA LYS A 69 9.750 0.388 8.626 1.00 0.00 C ATOM 1025 C LYS A 69 10.215 1.473 7.641 1.00 0.00 C ATOM 1026 O LYS A 69 11.415 1.730 7.517 1.00 0.00 O ATOM 1027 CB LYS A 69 10.317 -0.976 8.217 1.00 0.00 C ATOM 1028 CG LYS A 69 11.835 -1.061 8.272 1.00 0.00 C ATOM 1029 CD LYS A 69 12.300 -2.366 8.903 1.00 0.00 C ATOM 1030 CE LYS A 69 13.342 -3.067 8.042 1.00 0.00 C ATOM 1031 NZ LYS A 69 14.710 -2.978 8.628 1.00 0.00 N ATOM 0 H LYS A 69 7.864 -0.037 7.821 1.00 0.00 H new ATOM 0 HA LYS A 69 10.120 0.654 9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.897 -1.742 8.869 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.988 -1.205 7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.241 -0.978 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.227 -0.220 8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.718 -2.165 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.444 -3.025 9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.067 -4.115 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.346 -2.624 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.386 -3.469 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.985 -1.979 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.715 -3.424 9.567 1.00 0.00 H new ATOM 1045 N CYS A 70 9.260 2.102 6.944 1.00 0.00 N ATOM 1046 CA CYS A 70 9.558 3.150 5.974 1.00 0.00 C ATOM 1047 C CYS A 70 10.473 4.223 6.564 1.00 0.00 C ATOM 1048 O CYS A 70 11.461 4.621 5.943 1.00 0.00 O ATOM 1049 CB CYS A 70 8.253 3.777 5.481 1.00 0.00 C ATOM 1050 SG CYS A 70 7.225 4.505 6.778 1.00 0.00 S ATOM 0 H CYS A 70 8.266 1.896 7.040 1.00 0.00 H new ATOM 0 HA CYS A 70 10.086 2.697 5.135 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.491 4.549 4.749 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.673 3.014 4.962 1.00 0.00 H new ATOM 0 HG CYS A 70 6.534 3.570 7.360 1.00 0.00 H new ATOM 1056 N SER A 71 10.129 4.686 7.763 1.00 0.00 N ATOM 1057 CA SER A 71 10.899 5.716 8.457 1.00 0.00 C ATOM 1058 C SER A 71 10.779 7.064 7.744 1.00 0.00 C ATOM 1059 O SER A 71 11.711 7.871 7.760 1.00 0.00 O ATOM 1060 CB SER A 71 12.373 5.306 8.575 1.00 0.00 C ATOM 1061 OG SER A 71 13.015 6.001 9.629 1.00 0.00 O ATOM 0 H SER A 71 9.312 4.360 8.280 1.00 0.00 H new ATOM 0 HA SER A 71 10.487 5.821 9.460 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.442 4.232 8.749 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.886 5.510 7.635 1.00 0.00 H new ATOM 0 HG SER A 71 12.875 6.965 9.518 1.00 0.00 H new ATOM 1067 N GLY A 72 9.623 7.299 7.119 1.00 0.00 N ATOM 1068 CA GLY A 72 9.403 8.547 6.412 1.00 0.00 C ATOM 1069 C GLY A 72 8.460 8.403 5.230 1.00 0.00 C ATOM 1070 O GLY A 72 7.653 9.299 4.966 1.00 0.00 O ATOM 0 H GLY A 72 8.839 6.647 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.997 9.284 7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.360 8.933 6.061 1.00 0.00 H new ATOM 1074 N VAL A 73 8.557 7.277 4.516 1.00 0.00 N ATOM 1075 CA VAL A 73 7.705 7.037 3.355 1.00 0.00 C ATOM 1076 C VAL A 73 7.856 5.614 2.818 1.00 0.00 C ATOM 1077 O VAL A 73 8.967 5.086 2.727 1.00 0.00 O ATOM 1078 CB VAL A 73 8.003 8.045 2.225 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.457 7.954 1.776 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.062 7.843 1.047 1.00 0.00 C ATOM 0 H VAL A 73 9.213 6.524 4.722 1.00 0.00 H new ATOM 0 HA VAL A 73 6.677 7.170 3.693 1.00 0.00 H new ATOM 0 HB VAL A 73 7.835 9.046 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.638 8.676 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.112 8.173 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.662 6.949 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.296 8.567 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.183 6.834 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.032 7.983 1.376 1.00 0.00 H new ATOM 1090 N LEU A 74 6.726 5.008 2.460 1.00 0.00 N ATOM 1091 CA LEU A 74 6.714 3.648 1.926 1.00 0.00 C ATOM 1092 C LEU A 74 6.332 3.641 0.447 1.00 0.00 C ATOM 1093 O LEU A 74 5.437 4.370 0.022 1.00 0.00 O ATOM 1094 CB LEU A 74 5.736 2.774 2.716 1.00 0.00 C ATOM 1095 CG LEU A 74 5.596 1.338 2.203 1.00 0.00 C ATOM 1096 CD1 LEU A 74 6.520 0.400 2.967 1.00 0.00 C ATOM 1097 CD2 LEU A 74 4.150 0.875 2.302 1.00 0.00 C ATOM 0 H LEU A 74 5.804 5.439 2.530 1.00 0.00 H new ATOM 0 HA LEU A 74 7.721 3.242 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.058 2.743 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.754 3.247 2.700 1.00 0.00 H new ATOM 0 HG LEU A 74 5.889 1.318 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.404 -0.615 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.553 0.721 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.265 0.421 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.069 -0.147 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.826 0.912 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.517 1.528 1.702 1.00 0.00 H new ATOM 1109 N HIS A 75 7.016 2.794 -0.324 1.00 0.00 N ATOM 1110 CA HIS A 75 6.753 2.665 -1.755 1.00 0.00 C ATOM 1111 C HIS A 75 5.906 1.424 -2.028 1.00 0.00 C ATOM 1112 O HIS A 75 6.414 0.298 -2.034 1.00 0.00 O ATOM 1113 CB HIS A 75 8.070 2.592 -2.536 1.00 0.00 C ATOM 1114 CG HIS A 75 8.841 3.879 -2.549 1.00 0.00 C ATOM 1115 ND1 HIS A 75 10.166 3.962 -2.920 1.00 0.00 N ATOM 1116 CD2 HIS A 75 8.464 5.143 -2.233 1.00 0.00 C ATOM 1117 CE1 HIS A 75 10.569 5.218 -2.835 1.00 0.00 C ATOM 1118 NE2 HIS A 75 9.555 5.956 -2.422 1.00 0.00 N ATOM 0 H HIS A 75 7.758 2.186 0.022 1.00 0.00 H new ATOM 0 HA HIS A 75 6.201 3.544 -2.087 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.694 1.810 -2.104 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.856 2.298 -3.563 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.486 5.453 -1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.560 5.580 -3.065 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.578 6.964 -2.269 1.00 0.00 H new ATOM 1127 N MET A 76 4.607 1.637 -2.245 1.00 0.00 N ATOM 1128 CA MET A 76 3.678 0.546 -2.512 1.00 0.00 C ATOM 1129 C MET A 76 3.328 0.477 -3.998 1.00 0.00 C ATOM 1130 O MET A 76 2.871 1.461 -4.583 1.00 0.00 O ATOM 1131 CB MET A 76 2.402 0.724 -1.687 1.00 0.00 C ATOM 1132 CG MET A 76 1.584 -0.550 -1.536 1.00 0.00 C ATOM 1133 SD MET A 76 0.253 -0.382 -0.332 1.00 0.00 S ATOM 1134 CE MET A 76 1.142 -0.660 1.196 1.00 0.00 C ATOM 0 H MET A 76 4.176 2.562 -2.240 1.00 0.00 H new ATOM 0 HA MET A 76 4.163 -0.388 -2.227 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.670 1.092 -0.697 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.782 1.489 -2.155 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.162 -0.823 -2.503 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.241 -1.365 -1.234 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.743 -0.008 1.973 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.026 -1.700 1.500 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.199 -0.441 1.047 1.00 0.00 H new ATOM 1144 N VAL A 77 3.537 -0.693 -4.601 1.00 0.00 N ATOM 1145 CA VAL A 77 3.240 -0.892 -6.015 1.00 0.00 C ATOM 1146 C VAL A 77 1.875 -1.558 -6.187 1.00 0.00 C ATOM 1147 O VAL A 77 1.725 -2.763 -5.963 1.00 0.00 O ATOM 1148 CB VAL A 77 4.328 -1.742 -6.710 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.064 -1.841 -8.207 1.00 0.00 C ATOM 1150 CG2 VAL A 77 5.713 -1.163 -6.448 1.00 0.00 C ATOM 0 H VAL A 77 3.911 -1.517 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 77 3.223 0.091 -6.486 1.00 0.00 H new ATOM 0 HB VAL A 77 4.291 -2.747 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.843 -2.444 -8.675 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.093 -2.308 -8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.067 -0.842 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.464 -1.776 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.761 -0.145 -6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.906 -1.153 -5.375 1.00 0.00 H new ATOM 1160 N ILE A 78 0.883 -0.756 -6.574 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.484 -1.241 -6.772 1.00 0.00 C ATOM 1162 C ILE A 78 -0.839 -1.324 -8.258 1.00 0.00 C ATOM 1163 O ILE A 78 -0.112 -0.809 -9.113 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.515 -0.332 -6.058 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -1.244 1.144 -6.373 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -1.489 -0.574 -4.554 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -2.357 2.075 -5.947 1.00 0.00 C ATOM 0 H ILE A 78 1.002 0.240 -6.758 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.526 -2.240 -6.338 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.509 -0.583 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.321 1.447 -5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.083 1.253 -7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.220 0.073 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.734 -1.616 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.494 -0.352 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.092 3.101 -6.203 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.278 1.799 -6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.504 1.997 -4.870 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.965 -1.978 -8.556 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.424 -2.137 -9.938 1.00 0.00 C ATOM 1181 C ALA A 79 -3.951 -2.216 -10.022 1.00 0.00 C ATOM 1182 O ALA A 79 -4.618 -2.601 -9.058 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.799 -3.376 -10.557 1.00 0.00 C ATOM 0 H ALA A 79 -2.575 -2.406 -7.859 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.108 -1.256 -10.497 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.147 -3.485 -11.584 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.713 -3.278 -10.550 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.088 -4.255 -9.981 1.00 0.00 H new ATOM 1189 N GLU A 80 -4.491 -1.850 -11.188 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.934 -1.872 -11.421 1.00 0.00 C ATOM 1191 C GLU A 80 -6.345 -3.104 -12.227 1.00 0.00 C ATOM 1192 O GLU A 80 -5.698 -3.450 -13.220 1.00 0.00 O ATOM 1193 CB GLU A 80 -6.365 -0.603 -12.165 1.00 0.00 C ATOM 1194 CG GLU A 80 -7.682 -0.019 -11.673 1.00 0.00 C ATOM 1195 CD GLU A 80 -8.621 0.372 -12.804 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -8.133 0.859 -13.848 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -9.846 0.193 -12.641 1.00 0.00 O ATOM 0 H GLU A 80 -3.944 -1.533 -11.989 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.431 -1.914 -10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.584 0.150 -12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.453 -0.828 -13.228 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.179 -0.747 -11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.477 0.858 -11.059 1.00 0.00 H new