USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 710 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 7 LYS NZ :NH3+ -166:sc= 0.883 (180deg=0.74) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.366 K(o=1.2,f=0.65) USER MOD Set 2.1: A 64 HIS : no HE2:sc= -1.44 K(o=-0.22,f=-8.5!) USER MOD Set 2.2: A 79 THR OG1 : rot -151:sc= 1.22 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 0.602 (180deg=0.179) USER MOD Single : A 13 TYR OH : rot -100:sc= 0.00243 USER MOD Single : A 15 MET CE :methyl 158:sc= -0.168 (180deg=-1.56) USER MOD Single : A 22 SER OG : rot 11:sc= 0.38 USER MOD Single : A 24 LYS NZ :NH3+ 169:sc=-0.00755 (180deg=-0.124) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -140:sc= 0.242 USER MOD Single : A 41 ASN : amide:sc= 0.411 K(o=0.41,f=-7.5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -5.48! C(o=-5.5!,f=-9.3!) USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= -0.169 (180deg=-0.811) USER MOD Single : A 49 MET CE :methyl -141:sc= -0.136 (180deg=-1.99!) USER MOD Single : A 51 TYR OH : rot 119:sc= 0.232 USER MOD Single : A 56 MET CE :methyl 170:sc= -1.54 (180deg=-1.87!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -20:sc= 0.0324 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0.834 (180deg=0.782) USER MOD Single : A 77 SER OG : rot -4:sc= 0.357 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 84 LYS NZ :NH3+ -115:sc= 0.31 (180deg=-0.42) USER MOD Single : A 87 SER OG : rot 81:sc= 0.694 USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 11.830 1.134 0.130 1.00 0.00 N ATOM 40 CA GLU A 4 11.805 1.094 1.608 1.00 0.00 C ATOM 41 C GLU A 4 11.003 2.243 2.266 1.00 0.00 C ATOM 42 O GLU A 4 10.234 1.994 3.207 1.00 0.00 O ATOM 43 CB GLU A 4 13.264 1.083 2.137 1.00 0.00 C ATOM 44 CG GLU A 4 14.135 2.260 1.647 1.00 0.00 C ATOM 45 CD GLU A 4 15.590 2.163 2.122 1.00 0.00 C ATOM 46 OE1 GLU A 4 16.378 1.437 1.482 1.00 0.00 O ATOM 47 OE2 GLU A 4 15.943 2.787 3.141 1.00 0.00 O ATOM 0 HA GLU A 4 11.279 0.181 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.241 1.094 3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.738 0.148 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.115 2.292 0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.704 3.197 2.001 1.00 0.00 H new ATOM 54 N GLU A 5 11.179 3.481 1.759 1.00 0.00 N ATOM 55 CA GLU A 5 10.543 4.686 2.329 1.00 0.00 C ATOM 56 C GLU A 5 9.023 4.614 2.109 1.00 0.00 C ATOM 57 O GLU A 5 8.233 4.874 3.025 1.00 0.00 O ATOM 58 CB GLU A 5 11.135 5.969 1.677 1.00 0.00 C ATOM 59 CG GLU A 5 10.549 7.293 2.196 1.00 0.00 C ATOM 60 CD GLU A 5 10.945 7.595 3.651 1.00 0.00 C ATOM 61 OE1 GLU A 5 10.214 7.182 4.578 1.00 0.00 O ATOM 62 OE2 GLU A 5 11.977 8.260 3.870 1.00 0.00 O ATOM 0 H GLU A 5 11.764 3.673 0.946 1.00 0.00 H new ATOM 0 HA GLU A 5 10.744 4.729 3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.213 5.977 1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.977 5.917 0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.886 8.109 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.462 7.257 2.121 1.00 0.00 H new ATOM 69 N VAL A 6 8.653 4.218 0.878 1.00 0.00 N ATOM 70 CA VAL A 6 7.263 3.964 0.466 1.00 0.00 C ATOM 71 C VAL A 6 6.623 2.906 1.388 1.00 0.00 C ATOM 72 O VAL A 6 5.584 3.158 2.000 1.00 0.00 O ATOM 73 CB VAL A 6 7.217 3.487 -1.045 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.799 3.053 -1.486 1.00 0.00 C ATOM 75 CG2 VAL A 6 7.786 4.571 -1.996 1.00 0.00 C ATOM 0 H VAL A 6 9.326 4.063 0.128 1.00 0.00 H new ATOM 0 HA VAL A 6 6.694 4.890 0.552 1.00 0.00 H new ATOM 0 HB VAL A 6 7.855 2.605 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.823 2.736 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.462 2.225 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.112 3.892 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.740 4.213 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.196 5.483 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.822 4.780 -1.730 1.00 0.00 H new ATOM 85 N LYS A 7 7.312 1.756 1.532 1.00 0.00 N ATOM 86 CA LYS A 7 6.810 0.592 2.285 1.00 0.00 C ATOM 87 C LYS A 7 6.535 0.907 3.759 1.00 0.00 C ATOM 88 O LYS A 7 5.469 0.573 4.272 1.00 0.00 O ATOM 89 CB LYS A 7 7.813 -0.594 2.188 1.00 0.00 C ATOM 90 CG LYS A 7 7.828 -1.279 0.812 1.00 0.00 C ATOM 91 CD LYS A 7 8.747 -2.515 0.727 1.00 0.00 C ATOM 92 CE LYS A 7 10.223 -2.170 0.939 1.00 0.00 C ATOM 93 NZ LYS A 7 11.090 -3.369 0.956 1.00 0.00 N ATOM 0 H LYS A 7 8.236 1.609 1.127 1.00 0.00 H new ATOM 0 HA LYS A 7 5.860 0.317 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.815 -0.230 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.563 -1.333 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.811 -1.579 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.144 -0.554 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.438 -3.245 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.625 -2.987 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.553 -1.499 0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.335 -1.632 1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.026 -3.116 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.660 -4.100 1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.194 -3.736 -0.012 1.00 0.00 H new ATOM 107 N GLU A 8 7.509 1.546 4.421 1.00 0.00 N ATOM 108 CA GLU A 8 7.458 1.855 5.847 1.00 0.00 C ATOM 109 C GLU A 8 6.304 2.829 6.161 1.00 0.00 C ATOM 110 O GLU A 8 5.618 2.676 7.177 1.00 0.00 O ATOM 111 CB GLU A 8 8.846 2.429 6.251 1.00 0.00 C ATOM 112 CG GLU A 8 8.979 2.911 7.697 1.00 0.00 C ATOM 113 CD GLU A 8 8.744 1.807 8.739 1.00 0.00 C ATOM 114 OE1 GLU A 8 9.632 0.944 8.917 1.00 0.00 O ATOM 115 OE2 GLU A 8 7.658 1.781 9.361 1.00 0.00 O ATOM 0 H GLU A 8 8.366 1.866 3.969 1.00 0.00 H new ATOM 0 HA GLU A 8 7.254 0.958 6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.599 1.661 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.079 3.263 5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.975 3.329 7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.267 3.718 7.869 1.00 0.00 H new ATOM 122 N LYS A 9 6.087 3.801 5.261 1.00 0.00 N ATOM 123 CA LYS A 9 4.965 4.753 5.340 1.00 0.00 C ATOM 124 C LYS A 9 3.612 4.015 5.335 1.00 0.00 C ATOM 125 O LYS A 9 2.801 4.161 6.263 1.00 0.00 O ATOM 126 CB LYS A 9 5.043 5.740 4.142 1.00 0.00 C ATOM 127 CG LYS A 9 6.022 6.910 4.347 1.00 0.00 C ATOM 128 CD LYS A 9 6.322 7.665 3.036 1.00 0.00 C ATOM 129 CE LYS A 9 6.980 9.035 3.281 1.00 0.00 C ATOM 130 NZ LYS A 9 7.938 9.031 4.423 1.00 0.00 N ATOM 0 H LYS A 9 6.689 3.950 4.451 1.00 0.00 H new ATOM 0 HA LYS A 9 5.040 5.307 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.338 5.187 3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.048 6.143 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.605 7.605 5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.954 6.531 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.978 7.057 2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.394 7.805 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.504 9.346 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.203 9.775 3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.563 9.860 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.411 9.067 5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.510 8.163 4.393 1.00 0.00 H new ATOM 144 N ILE A 10 3.412 3.201 4.289 1.00 0.00 N ATOM 145 CA ILE A 10 2.138 2.508 4.020 1.00 0.00 C ATOM 146 C ILE A 10 1.814 1.499 5.120 1.00 0.00 C ATOM 147 O ILE A 10 0.709 1.514 5.674 1.00 0.00 O ATOM 148 CB ILE A 10 2.202 1.777 2.637 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.536 2.798 1.518 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.892 0.999 2.319 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.868 2.175 0.183 1.00 0.00 C ATOM 0 H ILE A 10 4.135 3.001 3.598 1.00 0.00 H new ATOM 0 HA ILE A 10 1.348 3.258 3.998 1.00 0.00 H new ATOM 0 HB ILE A 10 2.996 1.032 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.687 3.470 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.380 3.408 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.986 0.509 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.719 0.248 3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.053 1.694 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.088 2.960 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.737 1.526 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.018 1.588 -0.166 1.00 0.00 H new ATOM 163 N ARG A 11 2.830 0.674 5.457 1.00 0.00 N ATOM 164 CA ARG A 11 2.702 -0.458 6.390 1.00 0.00 C ATOM 165 C ARG A 11 2.274 0.055 7.763 1.00 0.00 C ATOM 166 O ARG A 11 1.469 -0.574 8.450 1.00 0.00 O ATOM 167 CB ARG A 11 4.052 -1.262 6.460 1.00 0.00 C ATOM 168 CG ARG A 11 5.143 -0.768 7.452 1.00 0.00 C ATOM 169 CD ARG A 11 5.031 -1.393 8.869 1.00 0.00 C ATOM 170 NE ARG A 11 5.989 -2.480 9.093 1.00 0.00 N ATOM 171 CZ ARG A 11 7.274 -2.304 9.435 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.752 -1.076 9.572 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.049 -3.343 9.656 1.00 0.00 N ATOM 0 H ARG A 11 3.772 0.780 5.082 1.00 0.00 H new ATOM 0 HA ARG A 11 1.934 -1.144 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.813 -2.295 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.488 -1.271 5.461 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.126 -0.998 7.040 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.079 0.317 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.190 -0.616 9.616 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.019 -1.772 9.014 1.00 0.00 H new ATOM 0 HE ARG A 11 5.655 -3.437 8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.144 -0.272 9.418 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.728 -0.935 9.832 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.674 -4.287 9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.026 -3.205 9.916 1.00 0.00 H new ATOM 187 N ARG A 12 2.826 1.226 8.137 1.00 0.00 N ATOM 188 CA ARG A 12 2.601 1.831 9.440 1.00 0.00 C ATOM 189 C ARG A 12 1.212 2.466 9.487 1.00 0.00 C ATOM 190 O ARG A 12 0.568 2.431 10.520 1.00 0.00 O ATOM 191 CB ARG A 12 3.745 2.855 9.787 1.00 0.00 C ATOM 192 CG ARG A 12 4.438 2.618 11.149 1.00 0.00 C ATOM 193 CD ARG A 12 5.049 1.216 11.245 1.00 0.00 C ATOM 194 NE ARG A 12 5.526 0.860 12.594 1.00 0.00 N ATOM 195 CZ ARG A 12 6.788 0.508 12.918 1.00 0.00 C ATOM 196 NH1 ARG A 12 7.743 0.491 12.005 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.078 0.152 14.155 1.00 0.00 N ATOM 0 H ARG A 12 3.441 1.771 7.533 1.00 0.00 H new ATOM 0 HA ARG A 12 2.634 1.058 10.207 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.499 2.816 9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.327 3.862 9.779 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.219 3.365 11.293 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.714 2.754 11.953 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.305 0.484 10.929 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.882 1.146 10.546 1.00 0.00 H new ATOM 0 HE ARG A 12 4.841 0.882 13.350 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.531 0.746 11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.692 0.223 12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.348 0.143 14.867 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.032 -0.114 14.399 1.00 0.00 H new ATOM 211 N TYR A 13 0.748 3.007 8.338 1.00 0.00 N ATOM 212 CA TYR A 13 -0.618 3.570 8.211 1.00 0.00 C ATOM 213 C TYR A 13 -1.686 2.465 8.363 1.00 0.00 C ATOM 214 O TYR A 13 -2.786 2.713 8.875 1.00 0.00 O ATOM 215 CB TYR A 13 -0.789 4.286 6.853 1.00 0.00 C ATOM 216 CG TYR A 13 -2.138 5.013 6.698 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.489 6.046 7.572 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.049 4.670 5.693 1.00 0.00 C ATOM 219 CE1 TYR A 13 -3.694 6.702 7.453 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.254 5.329 5.570 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.573 6.343 6.450 1.00 0.00 C ATOM 222 OH TYR A 13 -5.787 6.983 6.345 1.00 0.00 O ATOM 0 H TYR A 13 1.300 3.066 7.482 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.755 4.297 9.011 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.018 5.008 6.730 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.687 3.554 6.052 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.803 6.335 8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.805 3.876 5.003 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.951 7.494 8.141 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.946 5.053 4.788 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.487 6.423 6.740 1.00 0.00 H new ATOM 232 N ILE A 14 -1.345 1.250 7.893 1.00 0.00 N ATOM 233 CA ILE A 14 -2.189 0.056 8.060 1.00 0.00 C ATOM 234 C ILE A 14 -2.351 -0.273 9.560 1.00 0.00 C ATOM 235 O ILE A 14 -3.408 -0.734 10.002 1.00 0.00 O ATOM 236 CB ILE A 14 -1.580 -1.170 7.277 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.397 -0.821 5.763 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.439 -2.448 7.442 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.516 -1.782 4.990 1.00 0.00 C ATOM 0 H ILE A 14 -0.477 1.071 7.388 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.175 0.263 7.643 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.602 -1.378 7.710 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.379 -0.791 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.974 0.181 5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.983 -3.267 6.886 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.497 -2.713 8.498 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.443 -2.264 7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.449 -1.459 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.481 -1.797 5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.946 -2.783 5.031 1.00 0.00 H new ATOM 251 N MET A 15 -1.293 0.010 10.326 1.00 0.00 N ATOM 252 CA MET A 15 -1.251 -0.214 11.777 1.00 0.00 C ATOM 253 C MET A 15 -2.012 0.888 12.538 1.00 0.00 C ATOM 254 O MET A 15 -2.704 0.602 13.524 1.00 0.00 O ATOM 255 CB MET A 15 0.227 -0.280 12.244 1.00 0.00 C ATOM 256 CG MET A 15 1.060 -1.345 11.519 1.00 0.00 C ATOM 257 SD MET A 15 2.802 -1.341 11.973 1.00 0.00 S ATOM 258 CE MET A 15 2.688 -1.551 13.742 1.00 0.00 C ATOM 0 H MET A 15 -0.430 0.406 9.953 1.00 0.00 H new ATOM 0 HA MET A 15 -1.744 -1.161 11.998 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.690 0.695 12.092 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.251 -0.481 13.315 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.641 -2.328 11.733 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.974 -1.189 10.444 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.627 -1.952 14.122 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.489 -0.587 14.211 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.878 -2.242 13.975 1.00 0.00 H new ATOM 268 N GLU A 16 -1.872 2.143 12.061 1.00 0.00 N ATOM 269 CA GLU A 16 -2.468 3.330 12.708 1.00 0.00 C ATOM 270 C GLU A 16 -3.985 3.350 12.507 1.00 0.00 C ATOM 271 O GLU A 16 -4.759 3.212 13.455 1.00 0.00 O ATOM 272 CB GLU A 16 -1.868 4.656 12.139 1.00 0.00 C ATOM 273 CG GLU A 16 -0.347 4.810 12.266 1.00 0.00 C ATOM 274 CD GLU A 16 0.166 4.593 13.697 1.00 0.00 C ATOM 275 OE1 GLU A 16 0.011 5.498 14.536 1.00 0.00 O ATOM 276 OE2 GLU A 16 0.724 3.515 13.986 1.00 0.00 O ATOM 0 H GLU A 16 -1.343 2.361 11.217 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.236 3.264 13.771 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.135 4.730 11.085 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.343 5.495 12.648 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.141 4.098 11.600 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.060 5.807 11.931 1.00 0.00 H new ATOM 283 N ASP A 17 -4.373 3.514 11.238 1.00 0.00 N ATOM 284 CA ASP A 17 -5.753 3.798 10.829 1.00 0.00 C ATOM 285 C ASP A 17 -6.554 2.512 10.609 1.00 0.00 C ATOM 286 O ASP A 17 -7.576 2.290 11.267 1.00 0.00 O ATOM 287 CB ASP A 17 -5.747 4.654 9.534 1.00 0.00 C ATOM 288 CG ASP A 17 -7.153 4.958 8.974 1.00 0.00 C ATOM 289 OD1 ASP A 17 -7.937 5.621 9.675 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.481 4.555 7.831 1.00 0.00 O ATOM 0 H ASP A 17 -3.726 3.452 10.452 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.237 4.352 11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.236 5.596 9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.168 4.135 8.770 1.00 0.00 H new ATOM 295 N LEU A 18 -6.057 1.666 9.692 1.00 0.00 N ATOM 296 CA LEU A 18 -6.844 0.580 9.078 1.00 0.00 C ATOM 297 C LEU A 18 -7.262 -0.517 10.071 1.00 0.00 C ATOM 298 O LEU A 18 -8.460 -0.771 10.243 1.00 0.00 O ATOM 299 CB LEU A 18 -6.051 -0.024 7.902 1.00 0.00 C ATOM 300 CG LEU A 18 -5.658 0.974 6.772 1.00 0.00 C ATOM 301 CD1 LEU A 18 -4.910 0.266 5.640 1.00 0.00 C ATOM 302 CD2 LEU A 18 -6.882 1.744 6.237 1.00 0.00 C ATOM 0 H LEU A 18 -5.096 1.715 9.354 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.774 1.022 8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.141 -0.476 8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.642 -0.828 7.463 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.981 1.707 7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.650 0.990 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.000 -0.188 6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.546 -0.509 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.566 2.429 5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.608 1.038 5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.339 2.310 7.049 1.00 0.00 H new ATOM 314 N ILE A 19 -6.274 -1.175 10.702 1.00 0.00 N ATOM 315 CA ILE A 19 -6.537 -2.331 11.576 1.00 0.00 C ATOM 316 C ILE A 19 -6.923 -1.862 12.992 1.00 0.00 C ATOM 317 O ILE A 19 -8.112 -1.649 13.268 1.00 0.00 O ATOM 318 CB ILE A 19 -5.319 -3.340 11.580 1.00 0.00 C ATOM 319 CG1 ILE A 19 -4.939 -3.747 10.119 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.611 -4.593 12.446 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.780 -4.725 10.022 1.00 0.00 C ATOM 0 H ILE A 19 -5.288 -0.926 10.623 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.388 -2.881 11.176 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.468 -2.828 12.030 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.812 -4.188 9.639 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.687 -2.847 9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.750 -5.261 12.422 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.805 -4.288 13.474 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.484 -5.113 12.051 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.583 -4.953 8.974 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.891 -4.281 10.470 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.033 -5.643 10.552 1.00 0.00 H new ATOM 333 N GLY A 20 -5.934 -1.697 13.884 1.00 0.00 N ATOM 334 CA GLY A 20 -6.190 -1.341 15.279 1.00 0.00 C ATOM 335 C GLY A 20 -5.616 -2.383 16.251 1.00 0.00 C ATOM 336 O GLY A 20 -4.560 -2.143 16.837 1.00 0.00 O ATOM 0 H GLY A 20 -4.946 -1.806 13.657 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.751 -0.366 15.491 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.264 -1.249 15.439 1.00 0.00 H new ATOM 340 N PRO A 21 -6.276 -3.587 16.412 1.00 0.00 N ATOM 341 CA PRO A 21 -5.853 -4.604 17.392 1.00 0.00 C ATOM 342 C PRO A 21 -4.688 -5.492 16.887 1.00 0.00 C ATOM 343 O PRO A 21 -3.670 -5.631 17.575 1.00 0.00 O ATOM 344 CB PRO A 21 -7.157 -5.413 17.651 1.00 0.00 C ATOM 345 CG PRO A 21 -8.070 -5.166 16.470 1.00 0.00 C ATOM 346 CD PRO A 21 -7.469 -4.033 15.644 1.00 0.00 C ATOM 0 HA PRO A 21 -5.443 -4.160 18.299 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.938 -6.476 17.754 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.631 -5.094 18.579 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.167 -6.069 15.867 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.071 -4.901 16.810 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.191 -4.376 14.647 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.182 -3.219 15.514 1.00 0.00 H new ATOM 354 N SER A 22 -4.841 -6.070 15.679 1.00 0.00 N ATOM 355 CA SER A 22 -3.831 -6.953 15.044 1.00 0.00 C ATOM 356 C SER A 22 -2.749 -6.090 14.334 1.00 0.00 C ATOM 357 O SER A 22 -2.455 -6.278 13.142 1.00 0.00 O ATOM 358 CB SER A 22 -4.562 -7.905 14.057 1.00 0.00 C ATOM 359 OG SER A 22 -3.688 -8.860 13.474 1.00 0.00 O ATOM 0 H SER A 22 -5.676 -5.938 15.108 1.00 0.00 H new ATOM 0 HA SER A 22 -3.318 -7.558 15.792 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.363 -8.424 14.584 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.029 -7.316 13.268 1.00 0.00 H new ATOM 0 HG SER A 22 -2.826 -8.843 13.941 1.00 0.00 H new ATOM 365 N ALA A 23 -2.147 -5.148 15.091 1.00 0.00 N ATOM 366 CA ALA A 23 -1.205 -4.155 14.549 1.00 0.00 C ATOM 367 C ALA A 23 -0.158 -3.758 15.599 1.00 0.00 C ATOM 368 O ALA A 23 0.153 -2.574 15.793 1.00 0.00 O ATOM 369 CB ALA A 23 -1.980 -2.941 14.023 1.00 0.00 C ATOM 0 H ALA A 23 -2.303 -5.058 16.095 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.660 -4.597 13.715 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.280 -2.208 13.623 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.663 -3.259 13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.549 -2.492 14.837 1.00 0.00 H new ATOM 375 N LYS A 24 0.405 -4.784 16.253 1.00 0.00 N ATOM 376 CA LYS A 24 1.566 -4.648 17.153 1.00 0.00 C ATOM 377 C LYS A 24 2.825 -4.232 16.333 1.00 0.00 C ATOM 378 O LYS A 24 2.801 -4.317 15.102 1.00 0.00 O ATOM 379 CB LYS A 24 1.804 -5.979 17.919 1.00 0.00 C ATOM 380 CG LYS A 24 2.718 -5.816 19.145 1.00 0.00 C ATOM 381 CD LYS A 24 3.075 -7.135 19.836 1.00 0.00 C ATOM 382 CE LYS A 24 4.006 -6.906 21.033 1.00 0.00 C ATOM 383 NZ LYS A 24 3.350 -6.111 22.100 1.00 0.00 N ATOM 0 H LYS A 24 0.066 -5.743 16.173 1.00 0.00 H new ATOM 0 HA LYS A 24 1.367 -3.868 17.888 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.844 -6.383 18.241 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.245 -6.708 17.239 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.638 -5.319 18.836 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.228 -5.161 19.866 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.164 -7.630 20.172 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.556 -7.803 19.122 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.320 -7.868 21.438 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.907 -6.392 20.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.934 -6.135 22.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.241 -5.127 21.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.414 -6.513 22.307 1.00 0.00 H new ATOM 397 N GLU A 25 3.911 -3.847 17.042 1.00 0.00 N ATOM 398 CA GLU A 25 5.176 -3.282 16.480 1.00 0.00 C ATOM 399 C GLU A 25 5.693 -3.964 15.186 1.00 0.00 C ATOM 400 O GLU A 25 6.227 -3.286 14.298 1.00 0.00 O ATOM 401 CB GLU A 25 6.261 -3.361 17.591 1.00 0.00 C ATOM 402 CG GLU A 25 6.444 -4.777 18.186 1.00 0.00 C ATOM 403 CD GLU A 25 7.223 -4.802 19.511 1.00 0.00 C ATOM 404 OE1 GLU A 25 6.613 -4.534 20.569 1.00 0.00 O ATOM 405 OE2 GLU A 25 8.436 -5.100 19.509 1.00 0.00 O ATOM 0 H GLU A 25 3.939 -3.921 18.059 1.00 0.00 H new ATOM 0 HA GLU A 25 4.958 -2.258 16.178 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.213 -3.024 17.181 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.997 -2.671 18.393 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.462 -5.223 18.345 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.964 -5.401 17.459 1.00 0.00 H new ATOM 412 N ASP A 26 5.515 -5.294 15.091 1.00 0.00 N ATOM 413 CA ASP A 26 5.992 -6.109 13.942 1.00 0.00 C ATOM 414 C ASP A 26 4.923 -7.110 13.482 1.00 0.00 C ATOM 415 O ASP A 26 5.247 -8.185 12.950 1.00 0.00 O ATOM 416 CB ASP A 26 7.322 -6.840 14.304 1.00 0.00 C ATOM 417 CG ASP A 26 8.533 -5.898 14.324 1.00 0.00 C ATOM 418 OD1 ASP A 26 8.819 -5.299 15.376 1.00 0.00 O ATOM 419 OD2 ASP A 26 9.197 -5.737 13.274 1.00 0.00 O ATOM 0 H ASP A 26 5.036 -5.842 15.806 1.00 0.00 H new ATOM 0 HA ASP A 26 6.186 -5.433 13.110 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.218 -7.311 15.282 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.500 -7.638 13.583 1.00 0.00 H new ATOM 424 N GLU A 27 3.641 -6.750 13.668 1.00 0.00 N ATOM 425 CA GLU A 27 2.524 -7.527 13.118 1.00 0.00 C ATOM 426 C GLU A 27 2.528 -7.400 11.593 1.00 0.00 C ATOM 427 O GLU A 27 2.550 -8.404 10.875 1.00 0.00 O ATOM 428 CB GLU A 27 1.155 -7.073 13.719 1.00 0.00 C ATOM 429 CG GLU A 27 0.694 -7.885 14.949 1.00 0.00 C ATOM 430 CD GLU A 27 0.279 -9.315 14.575 1.00 0.00 C ATOM 431 OE1 GLU A 27 -0.886 -9.503 14.175 1.00 0.00 O ATOM 432 OE2 GLU A 27 1.116 -10.243 14.651 1.00 0.00 O ATOM 0 H GLU A 27 3.356 -5.925 14.196 1.00 0.00 H new ATOM 0 HA GLU A 27 2.654 -8.574 13.393 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.226 -6.022 13.999 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.391 -7.145 12.945 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.500 -7.922 15.681 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.145 -7.377 15.424 1.00 0.00 H new ATOM 439 N LEU A 28 2.532 -6.152 11.111 1.00 0.00 N ATOM 440 CA LEU A 28 2.643 -5.859 9.683 1.00 0.00 C ATOM 441 C LEU A 28 4.127 -5.883 9.316 1.00 0.00 C ATOM 442 O LEU A 28 4.910 -5.038 9.755 1.00 0.00 O ATOM 443 CB LEU A 28 1.965 -4.496 9.329 1.00 0.00 C ATOM 444 CG LEU A 28 0.398 -4.502 9.295 1.00 0.00 C ATOM 445 CD1 LEU A 28 -0.138 -5.461 8.208 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.204 -4.834 10.679 1.00 0.00 C ATOM 0 H LEU A 28 2.459 -5.322 11.699 1.00 0.00 H new ATOM 0 HA LEU A 28 2.114 -6.611 9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.291 -3.750 10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.330 -4.173 8.354 1.00 0.00 H new ATOM 0 HG LEU A 28 0.078 -3.493 9.035 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.228 -5.442 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.228 -5.145 7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.207 -6.474 8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.292 -4.828 10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.135 -5.820 10.996 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.120 -4.088 11.405 1.00 0.00 H new ATOM 458 N ASP A 29 4.495 -6.920 8.579 1.00 0.00 N ATOM 459 CA ASP A 29 5.850 -7.143 8.072 1.00 0.00 C ATOM 460 C ASP A 29 5.934 -6.687 6.608 1.00 0.00 C ATOM 461 O ASP A 29 4.918 -6.391 5.963 1.00 0.00 O ATOM 462 CB ASP A 29 6.207 -8.660 8.228 1.00 0.00 C ATOM 463 CG ASP A 29 7.648 -9.034 7.821 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.582 -8.735 8.589 1.00 0.00 O ATOM 465 OD2 ASP A 29 7.857 -9.590 6.714 1.00 0.00 O ATOM 0 H ASP A 29 3.842 -7.655 8.306 1.00 0.00 H new ATOM 0 HA ASP A 29 6.573 -6.559 8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.052 -8.950 9.267 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.512 -9.246 7.627 1.00 0.00 H new ATOM 470 N ASP A 30 7.162 -6.647 6.125 1.00 0.00 N ATOM 471 CA ASP A 30 7.521 -6.265 4.759 1.00 0.00 C ATOM 472 C ASP A 30 6.902 -7.217 3.706 1.00 0.00 C ATOM 473 O ASP A 30 6.615 -6.805 2.584 1.00 0.00 O ATOM 474 CB ASP A 30 9.068 -6.259 4.678 1.00 0.00 C ATOM 475 CG ASP A 30 9.633 -6.085 3.267 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.464 -5.009 2.688 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.270 -7.030 2.742 1.00 0.00 O ATOM 0 H ASP A 30 7.975 -6.889 6.692 1.00 0.00 H new ATOM 0 HA ASP A 30 7.120 -5.277 4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.448 -5.455 5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.444 -7.195 5.092 1.00 0.00 H new ATOM 482 N GLN A 31 6.712 -8.487 4.079 1.00 0.00 N ATOM 483 CA GLN A 31 6.218 -9.541 3.164 1.00 0.00 C ATOM 484 C GLN A 31 4.873 -10.116 3.636 1.00 0.00 C ATOM 485 O GLN A 31 4.417 -11.138 3.094 1.00 0.00 O ATOM 486 CB GLN A 31 7.291 -10.656 3.029 1.00 0.00 C ATOM 487 CG GLN A 31 8.569 -10.194 2.307 1.00 0.00 C ATOM 488 CD GLN A 31 9.655 -11.262 2.237 1.00 0.00 C ATOM 489 OE1 GLN A 31 9.699 -12.063 1.308 1.00 0.00 O ATOM 490 NE2 GLN A 31 10.540 -11.273 3.216 1.00 0.00 N ATOM 0 H GLN A 31 6.895 -8.822 5.025 1.00 0.00 H new ATOM 0 HA GLN A 31 6.043 -9.097 2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.555 -11.017 4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.862 -11.499 2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.311 -9.884 1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.967 -9.317 2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.472 -10.592 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.292 -11.963 3.216 1.00 0.00 H new ATOM 499 N THR A 32 4.248 -9.464 4.652 1.00 0.00 N ATOM 500 CA THR A 32 2.963 -9.910 5.220 1.00 0.00 C ATOM 501 C THR A 32 1.878 -10.069 4.118 1.00 0.00 C ATOM 502 O THR A 32 1.681 -9.161 3.300 1.00 0.00 O ATOM 503 CB THR A 32 2.468 -8.951 6.363 1.00 0.00 C ATOM 504 OG1 THR A 32 3.198 -9.234 7.558 1.00 0.00 O ATOM 505 CG2 THR A 32 0.961 -9.065 6.677 1.00 0.00 C ATOM 0 H THR A 32 4.622 -8.623 5.092 1.00 0.00 H new ATOM 0 HA THR A 32 3.134 -10.891 5.664 1.00 0.00 H new ATOM 0 HB THR A 32 2.641 -7.937 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.594 -9.191 8.328 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.702 -8.370 7.476 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.384 -8.823 5.785 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.731 -10.083 6.992 1.00 0.00 H new ATOM 513 N PRO A 33 1.196 -11.264 4.068 1.00 0.00 N ATOM 514 CA PRO A 33 0.097 -11.513 3.127 1.00 0.00 C ATOM 515 C PRO A 33 -1.157 -10.702 3.514 1.00 0.00 C ATOM 516 O PRO A 33 -2.019 -11.166 4.265 1.00 0.00 O ATOM 517 CB PRO A 33 -0.114 -13.044 3.236 1.00 0.00 C ATOM 518 CG PRO A 33 0.343 -13.412 4.618 1.00 0.00 C ATOM 519 CD PRO A 33 1.467 -12.452 4.939 1.00 0.00 C ATOM 0 HA PRO A 33 0.310 -11.202 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.161 -13.308 3.085 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.461 -13.575 2.478 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.470 -13.320 5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.687 -14.446 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.469 -12.180 5.994 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.440 -12.892 4.721 1.00 0.00 H new ATOM 527 N LEU A 34 -1.211 -9.464 2.996 1.00 0.00 N ATOM 528 CA LEU A 34 -2.238 -8.462 3.330 1.00 0.00 C ATOM 529 C LEU A 34 -3.656 -8.968 2.964 1.00 0.00 C ATOM 530 O LEU A 34 -4.626 -8.736 3.696 1.00 0.00 O ATOM 531 CB LEU A 34 -1.903 -7.136 2.583 1.00 0.00 C ATOM 532 CG LEU A 34 -0.458 -6.556 2.807 1.00 0.00 C ATOM 533 CD1 LEU A 34 -0.179 -5.327 1.909 1.00 0.00 C ATOM 534 CD2 LEU A 34 -0.192 -6.234 4.296 1.00 0.00 C ATOM 0 H LEU A 34 -0.528 -9.124 2.319 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.234 -8.284 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.044 -7.300 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.626 -6.380 2.888 1.00 0.00 H new ATOM 0 HG LEU A 34 0.241 -7.338 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.830 -4.960 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.271 -5.613 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.899 -4.540 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.817 -5.836 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.914 -5.495 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.291 -7.144 4.888 1.00 0.00 H new ATOM 546 N LEU A 35 -3.748 -9.697 1.835 1.00 0.00 N ATOM 547 CA LEU A 35 -5.026 -10.250 1.339 1.00 0.00 C ATOM 548 C LEU A 35 -5.464 -11.494 2.127 1.00 0.00 C ATOM 549 O LEU A 35 -6.667 -11.744 2.263 1.00 0.00 O ATOM 550 CB LEU A 35 -4.923 -10.599 -0.157 1.00 0.00 C ATOM 551 CG LEU A 35 -4.581 -9.420 -1.109 1.00 0.00 C ATOM 552 CD1 LEU A 35 -4.483 -9.906 -2.560 1.00 0.00 C ATOM 553 CD2 LEU A 35 -5.578 -8.239 -0.968 1.00 0.00 C ATOM 0 H LEU A 35 -2.946 -9.919 1.244 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.781 -9.477 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.162 -11.370 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.871 -11.033 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.605 -9.035 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.243 -9.065 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.700 -10.661 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.436 -10.339 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.296 -7.441 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.585 -8.582 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.555 -7.863 0.055 1.00 0.00 H new ATOM 565 N GLU A 36 -4.488 -12.275 2.637 1.00 0.00 N ATOM 566 CA GLU A 36 -4.784 -13.492 3.428 1.00 0.00 C ATOM 567 C GLU A 36 -5.240 -13.100 4.838 1.00 0.00 C ATOM 568 O GLU A 36 -6.022 -13.818 5.470 1.00 0.00 O ATOM 569 CB GLU A 36 -3.565 -14.445 3.479 1.00 0.00 C ATOM 570 CG GLU A 36 -3.002 -14.835 2.093 1.00 0.00 C ATOM 571 CD GLU A 36 -4.079 -15.324 1.120 1.00 0.00 C ATOM 572 OE1 GLU A 36 -4.650 -16.408 1.352 1.00 0.00 O ATOM 573 OE2 GLU A 36 -4.376 -14.622 0.125 1.00 0.00 O ATOM 0 H GLU A 36 -3.493 -12.087 2.517 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.593 -14.033 2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.773 -13.972 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.851 -15.353 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.494 -13.974 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.253 -15.617 2.219 1.00 0.00 H new ATOM 580 N TRP A 37 -4.750 -11.935 5.306 1.00 0.00 N ATOM 581 CA TRP A 37 -5.255 -11.285 6.528 1.00 0.00 C ATOM 582 C TRP A 37 -6.652 -10.686 6.268 1.00 0.00 C ATOM 583 O TRP A 37 -7.433 -10.494 7.205 1.00 0.00 O ATOM 584 CB TRP A 37 -4.269 -10.173 6.994 1.00 0.00 C ATOM 585 CG TRP A 37 -2.999 -10.685 7.641 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.320 -11.835 7.346 1.00 0.00 C ATOM 587 CD2 TRP A 37 -2.263 -10.050 8.698 1.00 0.00 C ATOM 588 NE1 TRP A 37 -1.226 -11.957 8.151 1.00 0.00 N ATOM 589 CE2 TRP A 37 -1.168 -10.881 8.995 1.00 0.00 C ATOM 590 CE3 TRP A 37 -2.435 -8.864 9.427 1.00 0.00 C ATOM 591 CZ2 TRP A 37 -0.246 -10.566 9.985 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -1.513 -8.551 10.409 1.00 0.00 C ATOM 593 CH2 TRP A 37 -0.435 -9.402 10.682 1.00 0.00 C ATOM 0 H TRP A 37 -3.997 -11.421 4.849 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.334 -12.032 7.318 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.001 -9.560 6.133 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.784 -9.522 7.701 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.609 -12.545 6.585 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.558 -12.727 8.128 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.270 -8.209 9.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.590 -11.216 10.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.626 -7.637 10.973 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.264 -9.134 11.461 1.00 0.00 H new ATOM 604 N GLY A 38 -6.944 -10.406 4.979 1.00 0.00 N ATOM 605 CA GLY A 38 -8.250 -9.902 4.545 1.00 0.00 C ATOM 606 C GLY A 38 -8.486 -8.467 4.951 1.00 0.00 C ATOM 607 O GLY A 38 -9.622 -7.982 4.920 1.00 0.00 O ATOM 0 H GLY A 38 -6.277 -10.525 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.325 -9.985 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.035 -10.529 4.968 1.00 0.00 H new ATOM 611 N ILE A 39 -7.392 -7.786 5.321 1.00 0.00 N ATOM 612 CA ILE A 39 -7.423 -6.401 5.786 1.00 0.00 C ATOM 613 C ILE A 39 -7.663 -5.454 4.608 1.00 0.00 C ATOM 614 O ILE A 39 -8.160 -4.365 4.810 1.00 0.00 O ATOM 615 CB ILE A 39 -6.095 -6.020 6.549 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.841 -6.188 5.629 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.961 -6.859 7.849 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.506 -5.856 6.274 1.00 0.00 C ATOM 0 H ILE A 39 -6.455 -8.189 5.304 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.247 -6.299 6.492 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.150 -4.967 6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.807 -7.218 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.968 -5.554 4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.041 -6.586 8.365 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.814 -6.662 8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.935 -7.919 7.597 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.705 -6.006 5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.509 -4.816 6.602 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.345 -6.507 7.133 1.00 0.00 H new ATOM 630 N LEU A 40 -7.361 -5.911 3.367 1.00 0.00 N ATOM 631 CA LEU A 40 -7.502 -5.082 2.154 1.00 0.00 C ATOM 632 C LEU A 40 -8.691 -5.572 1.313 1.00 0.00 C ATOM 633 O LEU A 40 -8.678 -6.671 0.755 1.00 0.00 O ATOM 634 CB LEU A 40 -6.207 -5.094 1.296 1.00 0.00 C ATOM 635 CG LEU A 40 -4.882 -4.650 1.997 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.749 -4.460 0.967 1.00 0.00 C ATOM 637 CD2 LEU A 40 -5.074 -3.390 2.874 1.00 0.00 C ATOM 0 H LEU A 40 -7.017 -6.854 3.185 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.681 -4.056 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.065 -6.105 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.367 -4.446 0.434 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.590 -5.454 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.838 -4.151 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.570 -5.400 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.037 -3.694 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.125 -3.122 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.420 -2.564 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.813 -3.595 3.649 1.00 0.00 H new ATOM 649 N ASN A 41 -9.719 -4.726 1.282 1.00 0.00 N ATOM 650 CA ASN A 41 -10.945 -4.890 0.478 1.00 0.00 C ATOM 651 C ASN A 41 -11.458 -3.458 0.188 1.00 0.00 C ATOM 652 O ASN A 41 -10.994 -2.526 0.839 1.00 0.00 O ATOM 653 CB ASN A 41 -11.975 -5.760 1.277 1.00 0.00 C ATOM 654 CG ASN A 41 -13.172 -6.310 0.471 1.00 0.00 C ATOM 655 OD1 ASN A 41 -13.656 -5.706 -0.478 1.00 0.00 O ATOM 656 ND2 ASN A 41 -13.650 -7.489 0.847 1.00 0.00 N ATOM 0 H ASN A 41 -9.728 -3.870 1.837 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.774 -5.412 -0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.443 -6.603 1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.363 -5.161 2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.433 -7.906 0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.235 -7.978 1.640 1.00 0.00 H new ATOM 663 N SER A 42 -12.403 -3.296 -0.762 1.00 0.00 N ATOM 664 CA SER A 42 -12.889 -1.983 -1.269 1.00 0.00 C ATOM 665 C SER A 42 -13.147 -0.910 -0.164 1.00 0.00 C ATOM 666 O SER A 42 -12.891 0.277 -0.380 1.00 0.00 O ATOM 667 CB SER A 42 -14.157 -2.225 -2.121 1.00 0.00 C ATOM 668 OG SER A 42 -14.596 -1.079 -2.842 1.00 0.00 O ATOM 0 H SER A 42 -12.863 -4.088 -1.211 1.00 0.00 H new ATOM 0 HA SER A 42 -12.089 -1.556 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.960 -3.032 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.962 -2.562 -1.468 1.00 0.00 H new ATOM 0 HG SER A 42 -15.398 -1.305 -3.358 1.00 0.00 H new ATOM 673 N MET A 43 -13.601 -1.349 1.027 1.00 0.00 N ATOM 674 CA MET A 43 -13.827 -0.458 2.198 1.00 0.00 C ATOM 675 C MET A 43 -12.507 0.183 2.701 1.00 0.00 C ATOM 676 O MET A 43 -12.443 1.386 2.939 1.00 0.00 O ATOM 677 CB MET A 43 -14.519 -1.235 3.358 1.00 0.00 C ATOM 678 CG MET A 43 -16.023 -1.546 3.169 1.00 0.00 C ATOM 679 SD MET A 43 -16.397 -2.465 1.652 1.00 0.00 S ATOM 680 CE MET A 43 -16.941 -1.169 0.530 1.00 0.00 C ATOM 0 H MET A 43 -13.823 -2.327 1.211 1.00 0.00 H new ATOM 0 HA MET A 43 -14.484 0.346 1.866 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.990 -2.177 3.503 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.401 -0.658 4.275 1.00 0.00 H new ATOM 0 HG2 MET A 43 -16.376 -2.119 4.026 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.580 -0.609 3.161 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.199 -1.607 -0.434 1.00 0.00 H new ATOM 0 HE2 MET A 43 -17.816 -0.670 0.947 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.139 -0.443 0.396 1.00 0.00 H new ATOM 690 N ASN A 44 -11.471 -0.644 2.843 1.00 0.00 N ATOM 691 CA ASN A 44 -10.174 -0.258 3.428 1.00 0.00 C ATOM 692 C ASN A 44 -9.227 0.329 2.372 1.00 0.00 C ATOM 693 O ASN A 44 -8.578 1.359 2.611 1.00 0.00 O ATOM 694 CB ASN A 44 -9.542 -1.503 4.128 1.00 0.00 C ATOM 695 CG ASN A 44 -8.054 -1.386 4.545 1.00 0.00 C ATOM 696 OD1 ASN A 44 -7.186 -0.945 3.799 1.00 0.00 O ATOM 697 ND2 ASN A 44 -7.743 -1.797 5.758 1.00 0.00 N ATOM 0 H ASN A 44 -11.504 -1.621 2.551 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.338 0.527 4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.129 -1.727 5.019 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.642 -2.357 3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.777 -1.749 6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.469 -2.163 6.374 1.00 0.00 H new ATOM 704 N ILE A 45 -9.142 -0.358 1.224 1.00 0.00 N ATOM 705 CA ILE A 45 -8.060 -0.188 0.227 1.00 0.00 C ATOM 706 C ILE A 45 -7.996 1.254 -0.335 1.00 0.00 C ATOM 707 O ILE A 45 -6.947 1.712 -0.792 1.00 0.00 O ATOM 708 CB ILE A 45 -8.247 -1.224 -0.945 1.00 0.00 C ATOM 709 CG1 ILE A 45 -6.972 -1.327 -1.827 1.00 0.00 C ATOM 710 CG2 ILE A 45 -9.494 -0.880 -1.813 1.00 0.00 C ATOM 711 CD1 ILE A 45 -7.023 -2.433 -2.866 1.00 0.00 C ATOM 0 H ILE A 45 -9.831 -1.060 0.952 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.114 -0.374 0.735 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.414 -2.199 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.816 -0.375 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.109 -1.490 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.594 -1.614 -2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.388 -0.898 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.374 0.113 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.096 -2.437 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.146 -3.395 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.864 -2.262 -3.538 1.00 0.00 H new ATOM 723 N VAL A 46 -9.141 1.950 -0.262 1.00 0.00 N ATOM 724 CA VAL A 46 -9.299 3.323 -0.742 1.00 0.00 C ATOM 725 C VAL A 46 -8.556 4.337 0.160 1.00 0.00 C ATOM 726 O VAL A 46 -8.070 5.357 -0.338 1.00 0.00 O ATOM 727 CB VAL A 46 -10.820 3.693 -0.876 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.505 2.774 -1.919 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.558 3.651 0.492 1.00 0.00 C ATOM 0 H VAL A 46 -9.995 1.564 0.140 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.844 3.380 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.882 4.723 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.559 3.041 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.021 2.899 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.418 1.735 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.606 3.914 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.490 2.647 0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.096 4.362 1.177 1.00 0.00 H new ATOM 739 N LYS A 47 -8.445 4.027 1.477 1.00 0.00 N ATOM 740 CA LYS A 47 -7.683 4.861 2.433 1.00 0.00 C ATOM 741 C LYS A 47 -6.175 4.737 2.177 1.00 0.00 C ATOM 742 O LYS A 47 -5.419 5.662 2.481 1.00 0.00 O ATOM 743 CB LYS A 47 -8.027 4.542 3.916 1.00 0.00 C ATOM 744 CG LYS A 47 -9.461 4.969 4.333 1.00 0.00 C ATOM 745 CD LYS A 47 -10.509 3.844 4.204 1.00 0.00 C ATOM 746 CE LYS A 47 -10.415 2.834 5.351 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.486 3.494 6.672 1.00 0.00 N ATOM 0 H LYS A 47 -8.875 3.204 1.898 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.983 5.895 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.914 3.471 4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.306 5.043 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.440 5.317 5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.771 5.814 3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.508 4.280 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.370 3.327 3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.224 2.108 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.480 2.280 5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.871 2.828 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.533 3.790 6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.104 4.328 6.611 1.00 0.00 H new ATOM 761 N LEU A 48 -5.744 3.584 1.631 1.00 0.00 N ATOM 762 CA LEU A 48 -4.373 3.417 1.129 1.00 0.00 C ATOM 763 C LEU A 48 -4.211 4.147 -0.202 1.00 0.00 C ATOM 764 O LEU A 48 -3.251 4.870 -0.387 1.00 0.00 O ATOM 765 CB LEU A 48 -4.001 1.922 0.959 1.00 0.00 C ATOM 766 CG LEU A 48 -3.780 1.130 2.275 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.430 -0.345 1.991 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.702 1.813 3.160 1.00 0.00 C ATOM 0 H LEU A 48 -6.329 2.755 1.528 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.696 3.847 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.791 1.432 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.092 1.858 0.361 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.717 1.137 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.281 -0.872 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.245 -0.813 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.516 -0.395 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.566 1.238 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.759 1.857 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.024 2.824 3.410 1.00 0.00 H new ATOM 780 N MET A 49 -5.182 3.972 -1.103 1.00 0.00 N ATOM 781 CA MET A 49 -5.164 4.563 -2.445 1.00 0.00 C ATOM 782 C MET A 49 -4.966 6.095 -2.395 1.00 0.00 C ATOM 783 O MET A 49 -4.260 6.659 -3.236 1.00 0.00 O ATOM 784 CB MET A 49 -6.486 4.222 -3.156 1.00 0.00 C ATOM 785 CG MET A 49 -6.583 4.732 -4.589 1.00 0.00 C ATOM 786 SD MET A 49 -8.244 4.587 -5.250 1.00 0.00 S ATOM 787 CE MET A 49 -8.541 2.830 -5.085 1.00 0.00 C ATOM 0 H MET A 49 -6.013 3.409 -0.919 1.00 0.00 H new ATOM 0 HA MET A 49 -4.321 4.147 -2.996 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.613 3.139 -3.160 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.312 4.638 -2.579 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.270 5.776 -4.623 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.893 4.172 -5.220 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.085 2.469 -5.958 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.588 2.306 -5.009 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.130 2.643 -4.187 1.00 0.00 H new ATOM 797 N VAL A 50 -5.591 6.744 -1.390 1.00 0.00 N ATOM 798 CA VAL A 50 -5.465 8.196 -1.168 1.00 0.00 C ATOM 799 C VAL A 50 -4.157 8.521 -0.409 1.00 0.00 C ATOM 800 O VAL A 50 -3.564 9.575 -0.622 1.00 0.00 O ATOM 801 CB VAL A 50 -6.706 8.795 -0.400 1.00 0.00 C ATOM 802 CG1 VAL A 50 -8.017 8.528 -1.188 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.795 8.272 1.057 1.00 0.00 C ATOM 0 H VAL A 50 -6.194 6.276 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.433 8.666 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.566 9.874 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.862 8.949 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.952 8.994 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.159 7.454 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.664 8.710 1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.892 7.186 1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.892 8.551 1.600 1.00 0.00 H new ATOM 813 N TYR A 51 -3.705 7.593 0.460 1.00 0.00 N ATOM 814 CA TYR A 51 -2.470 7.762 1.248 1.00 0.00 C ATOM 815 C TYR A 51 -1.248 7.823 0.307 1.00 0.00 C ATOM 816 O TYR A 51 -0.467 8.761 0.363 1.00 0.00 O ATOM 817 CB TYR A 51 -2.328 6.616 2.277 1.00 0.00 C ATOM 818 CG TYR A 51 -1.096 6.742 3.189 1.00 0.00 C ATOM 819 CD1 TYR A 51 -1.110 7.594 4.299 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.078 6.023 2.938 1.00 0.00 C ATOM 821 CE1 TYR A 51 -0.008 7.716 5.124 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.179 6.145 3.760 1.00 0.00 C ATOM 823 CZ TYR A 51 1.133 6.994 4.848 1.00 0.00 C ATOM 824 OH TYR A 51 2.229 7.110 5.672 1.00 0.00 O ATOM 0 H TYR A 51 -4.185 6.710 0.633 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.523 8.701 1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.224 6.585 2.897 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.277 5.667 1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.999 8.167 4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.123 5.361 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.041 8.373 5.980 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.075 5.578 3.553 1.00 0.00 H new ATOM 0 HH TYR A 51 2.440 6.236 6.061 1.00 0.00 H new ATOM 834 N ILE A 52 -1.122 6.814 -0.579 1.00 0.00 N ATOM 835 CA ILE A 52 -0.068 6.760 -1.616 1.00 0.00 C ATOM 836 C ILE A 52 -0.214 7.952 -2.591 1.00 0.00 C ATOM 837 O ILE A 52 0.786 8.508 -3.066 1.00 0.00 O ATOM 838 CB ILE A 52 -0.072 5.379 -2.412 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.411 4.169 -1.525 1.00 0.00 C ATOM 840 CG2 ILE A 52 0.783 5.445 -3.708 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.489 3.747 -0.376 1.00 0.00 C ATOM 0 H ILE A 52 -1.750 6.010 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 52 0.893 6.830 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.112 5.208 -2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.552 3.307 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.388 4.421 -1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.749 4.481 -4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.385 6.216 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.815 5.684 -3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.037 2.906 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.614 4.582 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.463 3.451 -0.766 1.00 0.00 H new ATOM 853 N ARG A 53 -1.471 8.352 -2.842 1.00 0.00 N ATOM 854 CA ARG A 53 -1.799 9.459 -3.749 1.00 0.00 C ATOM 855 C ARG A 53 -1.171 10.775 -3.270 1.00 0.00 C ATOM 856 O ARG A 53 -0.513 11.463 -4.044 1.00 0.00 O ATOM 857 CB ARG A 53 -3.328 9.604 -3.888 1.00 0.00 C ATOM 858 CG ARG A 53 -3.798 10.581 -4.980 1.00 0.00 C ATOM 859 CD ARG A 53 -5.331 10.709 -5.037 1.00 0.00 C ATOM 860 NE ARG A 53 -6.003 9.396 -5.188 1.00 0.00 N ATOM 861 CZ ARG A 53 -7.264 9.216 -5.622 1.00 0.00 C ATOM 862 NH1 ARG A 53 -8.017 10.244 -5.968 1.00 0.00 N ATOM 863 NH2 ARG A 53 -7.769 7.999 -5.702 1.00 0.00 N ATOM 0 H ARG A 53 -2.289 7.914 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.380 9.229 -4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.752 8.622 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.734 9.931 -2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.361 11.563 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.429 10.243 -5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.686 11.193 -4.128 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.608 11.354 -5.871 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.467 8.563 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.645 11.192 -5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.971 10.090 -6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.203 7.193 -5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.725 7.864 -6.031 1.00 0.00 H new ATOM 877 N ASP A 54 -1.356 11.096 -1.981 1.00 0.00 N ATOM 878 CA ASP A 54 -0.856 12.349 -1.383 1.00 0.00 C ATOM 879 C ASP A 54 0.629 12.232 -0.993 1.00 0.00 C ATOM 880 O ASP A 54 1.467 13.001 -1.480 1.00 0.00 O ATOM 881 CB ASP A 54 -1.706 12.731 -0.137 1.00 0.00 C ATOM 882 CG ASP A 54 -3.128 13.193 -0.495 1.00 0.00 C ATOM 883 OD1 ASP A 54 -3.999 12.341 -0.724 1.00 0.00 O ATOM 884 OD2 ASP A 54 -3.383 14.417 -0.524 1.00 0.00 O ATOM 0 H ASP A 54 -1.855 10.498 -1.323 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.948 13.135 -2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.767 11.872 0.531 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.200 13.525 0.411 1.00 0.00 H new ATOM 889 N GLU A 55 0.930 11.251 -0.124 1.00 0.00 N ATOM 890 CA GLU A 55 2.258 11.091 0.513 1.00 0.00 C ATOM 891 C GLU A 55 3.346 10.711 -0.506 1.00 0.00 C ATOM 892 O GLU A 55 4.394 11.356 -0.567 1.00 0.00 O ATOM 893 CB GLU A 55 2.184 10.036 1.650 1.00 0.00 C ATOM 894 CG GLU A 55 1.076 10.286 2.696 1.00 0.00 C ATOM 895 CD GLU A 55 1.195 11.650 3.384 1.00 0.00 C ATOM 896 OE1 GLU A 55 1.927 11.754 4.389 1.00 0.00 O ATOM 897 OE2 GLU A 55 0.560 12.625 2.927 1.00 0.00 O ATOM 0 H GLU A 55 0.257 10.540 0.161 1.00 0.00 H new ATOM 0 HA GLU A 55 2.537 12.055 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.028 9.053 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.146 10.006 2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.103 10.215 2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.113 9.501 3.451 1.00 0.00 H new ATOM 904 N MET A 56 3.090 9.658 -1.301 1.00 0.00 N ATOM 905 CA MET A 56 4.029 9.198 -2.358 1.00 0.00 C ATOM 906 C MET A 56 3.864 10.039 -3.644 1.00 0.00 C ATOM 907 O MET A 56 4.757 10.051 -4.497 1.00 0.00 O ATOM 908 CB MET A 56 3.848 7.667 -2.647 1.00 0.00 C ATOM 909 CG MET A 56 4.782 6.745 -1.844 1.00 0.00 C ATOM 910 SD MET A 56 4.795 7.073 -0.063 1.00 0.00 S ATOM 911 CE MET A 56 3.145 6.585 0.428 1.00 0.00 C ATOM 0 H MET A 56 2.238 9.102 -1.237 1.00 0.00 H new ATOM 0 HA MET A 56 5.046 9.344 -1.994 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.816 7.391 -2.433 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.012 7.490 -3.710 1.00 0.00 H new ATOM 0 HG2 MET A 56 4.483 5.710 -2.010 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.796 6.849 -2.229 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.079 6.568 1.516 1.00 0.00 H new ATOM 0 HE2 MET A 56 2.422 7.298 0.032 1.00 0.00 H new ATOM 0 HE3 MET A 56 2.927 5.592 0.036 1.00 0.00 H new ATOM 921 N GLY A 57 2.717 10.733 -3.773 1.00 0.00 N ATOM 922 CA GLY A 57 2.436 11.578 -4.939 1.00 0.00 C ATOM 923 C GLY A 57 2.049 10.767 -6.169 1.00 0.00 C ATOM 924 O GLY A 57 2.276 11.195 -7.300 1.00 0.00 O ATOM 0 H GLY A 57 1.970 10.722 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.630 12.270 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.315 12.180 -5.167 1.00 0.00 H new ATOM 928 N VAL A 58 1.444 9.593 -5.936 1.00 0.00 N ATOM 929 CA VAL A 58 1.204 8.577 -6.982 1.00 0.00 C ATOM 930 C VAL A 58 -0.299 8.292 -7.128 1.00 0.00 C ATOM 931 O VAL A 58 -0.929 7.744 -6.216 1.00 0.00 O ATOM 932 CB VAL A 58 1.975 7.250 -6.637 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.649 6.113 -7.634 1.00 0.00 C ATOM 934 CG2 VAL A 58 3.502 7.500 -6.545 1.00 0.00 C ATOM 0 H VAL A 58 1.105 9.317 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 58 1.575 8.966 -7.930 1.00 0.00 H new ATOM 0 HB VAL A 58 1.629 6.921 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.203 5.216 -7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.580 5.901 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.934 6.419 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.010 6.566 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.867 7.877 -7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.704 8.233 -5.764 1.00 0.00 H new ATOM 944 N SER A 59 -0.854 8.641 -8.294 1.00 0.00 N ATOM 945 CA SER A 59 -2.261 8.383 -8.623 1.00 0.00 C ATOM 946 C SER A 59 -2.428 6.903 -9.026 1.00 0.00 C ATOM 947 O SER A 59 -1.959 6.497 -10.100 1.00 0.00 O ATOM 948 CB SER A 59 -2.709 9.312 -9.774 1.00 0.00 C ATOM 949 OG SER A 59 -2.375 10.659 -9.507 1.00 0.00 O ATOM 0 H SER A 59 -0.339 9.112 -9.038 1.00 0.00 H new ATOM 0 HA SER A 59 -2.885 8.586 -7.753 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.237 8.996 -10.704 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.786 9.224 -9.917 1.00 0.00 H new ATOM 0 HG SER A 59 -2.669 11.223 -10.253 1.00 0.00 H new ATOM 955 N ILE A 60 -3.040 6.090 -8.146 1.00 0.00 N ATOM 956 CA ILE A 60 -3.324 4.685 -8.435 1.00 0.00 C ATOM 957 C ILE A 60 -4.704 4.601 -9.112 1.00 0.00 C ATOM 958 O ILE A 60 -5.710 4.902 -8.457 1.00 0.00 O ATOM 959 CB ILE A 60 -3.311 3.786 -7.138 1.00 0.00 C ATOM 960 CG1 ILE A 60 -1.981 3.968 -6.334 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.539 2.292 -7.507 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.923 3.179 -5.026 1.00 0.00 C ATOM 0 H ILE A 60 -3.347 6.392 -7.222 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.540 4.305 -9.090 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.130 4.109 -6.496 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.145 3.665 -6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.846 5.027 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.527 1.687 -6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.503 2.183 -8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.747 1.958 -8.177 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.968 3.362 -4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.736 3.497 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.023 2.115 -5.238 1.00 0.00 H new ATOM 974 N PRO A 61 -4.784 4.219 -10.433 1.00 0.00 N ATOM 975 CA PRO A 61 -6.083 4.035 -11.110 1.00 0.00 C ATOM 976 C PRO A 61 -6.857 2.846 -10.512 1.00 0.00 C ATOM 977 O PRO A 61 -6.245 1.894 -10.043 1.00 0.00 O ATOM 978 CB PRO A 61 -5.696 3.796 -12.593 1.00 0.00 C ATOM 979 CG PRO A 61 -4.276 3.301 -12.556 1.00 0.00 C ATOM 980 CD PRO A 61 -3.637 3.955 -11.347 1.00 0.00 C ATOM 0 HA PRO A 61 -6.750 4.889 -10.994 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.356 3.064 -13.059 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.778 4.715 -13.174 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.244 2.215 -12.475 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.746 3.568 -13.470 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.899 3.301 -10.883 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.121 4.877 -11.617 1.00 0.00 H new ATOM 988 N SER A 62 -8.192 2.927 -10.529 1.00 0.00 N ATOM 989 CA SER A 62 -9.082 1.880 -9.986 1.00 0.00 C ATOM 990 C SER A 62 -8.875 0.532 -10.712 1.00 0.00 C ATOM 991 O SER A 62 -8.975 -0.536 -10.097 1.00 0.00 O ATOM 992 CB SER A 62 -10.540 2.350 -10.122 1.00 0.00 C ATOM 993 OG SER A 62 -10.818 2.740 -11.459 1.00 0.00 O ATOM 0 H SER A 62 -8.694 3.724 -10.921 1.00 0.00 H new ATOM 0 HA SER A 62 -8.842 1.719 -8.935 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.215 1.548 -9.824 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.722 3.187 -9.448 1.00 0.00 H new ATOM 0 HG SER A 62 -11.750 3.034 -11.527 1.00 0.00 H new ATOM 999 N THR A 63 -8.545 0.614 -12.014 1.00 0.00 N ATOM 1000 CA THR A 63 -8.262 -0.565 -12.850 1.00 0.00 C ATOM 1001 C THR A 63 -6.955 -1.281 -12.409 1.00 0.00 C ATOM 1002 O THR A 63 -6.727 -2.443 -12.757 1.00 0.00 O ATOM 1003 CB THR A 63 -8.181 -0.174 -14.368 1.00 0.00 C ATOM 1004 OG1 THR A 63 -8.078 -1.358 -15.180 1.00 0.00 O ATOM 1005 CG2 THR A 63 -6.989 0.762 -14.668 1.00 0.00 C ATOM 0 H THR A 63 -8.467 1.499 -12.515 1.00 0.00 H new ATOM 0 HA THR A 63 -9.090 -1.261 -12.713 1.00 0.00 H new ATOM 0 HB THR A 63 -9.097 0.365 -14.610 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.770 -2.107 -14.628 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.975 1.004 -15.731 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.092 1.679 -14.088 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.058 0.264 -14.397 1.00 0.00 H new ATOM 1013 N HIS A 64 -6.105 -0.564 -11.650 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.850 -1.115 -11.109 1.00 0.00 C ATOM 1015 C HIS A 64 -5.127 -2.033 -9.893 1.00 0.00 C ATOM 1016 O HIS A 64 -4.296 -2.895 -9.553 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.892 0.035 -10.700 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.621 -0.451 -10.113 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.501 -0.800 -8.789 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.443 -0.761 -10.685 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -1.330 -1.314 -8.583 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.663 -1.300 -9.724 1.00 0.00 N ATOM 0 H HIS A 64 -6.269 0.410 -11.396 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.377 -1.712 -11.889 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.671 0.645 -11.576 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.395 0.681 -9.980 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.222 -0.674 -8.079 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.172 -0.607 -11.719 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.962 -1.690 -7.640 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.289 -1.835 -9.236 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.655 -2.554 -8.002 1.00 0.00 C ATOM 1033 C ILE A 65 -6.946 -4.037 -8.338 1.00 0.00 C ATOM 1034 O ILE A 65 -8.027 -4.402 -8.824 1.00 0.00 O ATOM 1035 CB ILE A 65 -7.858 -1.869 -7.217 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.445 -0.504 -6.525 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -8.445 -2.828 -6.153 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.768 0.526 -7.394 1.00 0.00 C ATOM 0 H ILE A 65 -6.998 -1.172 -9.548 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.807 -2.506 -7.319 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.616 -1.644 -7.967 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -8.343 -0.053 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.781 -0.734 -5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.265 -2.335 -5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.815 -3.730 -6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.668 -3.096 -5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.539 1.410 -6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.844 0.111 -7.798 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.431 0.802 -8.214 1.00 0.00 H new ATOM 1050 N THR A 66 -5.912 -4.854 -8.135 1.00 0.00 N ATOM 1051 CA THR A 66 -5.960 -6.304 -8.287 1.00 0.00 C ATOM 1052 C THR A 66 -5.010 -6.950 -7.270 1.00 0.00 C ATOM 1053 O THR A 66 -4.078 -6.299 -6.760 1.00 0.00 O ATOM 1054 CB THR A 66 -5.637 -6.757 -9.756 1.00 0.00 C ATOM 1055 OG1 THR A 66 -5.608 -8.190 -9.843 1.00 0.00 O ATOM 1056 CG2 THR A 66 -4.314 -6.182 -10.278 1.00 0.00 C ATOM 0 H THR A 66 -4.993 -4.513 -7.852 1.00 0.00 H new ATOM 0 HA THR A 66 -6.977 -6.641 -8.088 1.00 0.00 H new ATOM 0 HB THR A 66 -6.435 -6.363 -10.386 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.407 -8.458 -10.764 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.143 -6.529 -11.297 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.362 -5.093 -10.269 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.496 -6.515 -9.640 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.255 -8.240 -7.012 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.650 -8.974 -5.915 1.00 0.00 C ATOM 1066 C GLY A 67 -3.125 -8.970 -5.888 1.00 0.00 C ATOM 1067 O GLY A 67 -2.534 -8.691 -4.858 1.00 0.00 O ATOM 0 H GLY A 67 -5.891 -8.805 -7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.014 -8.557 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.993 -10.008 -5.959 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.517 -9.205 -7.060 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.050 -9.389 -7.228 1.00 0.00 C ATOM 1073 C LYS A 68 -0.205 -8.229 -6.637 1.00 0.00 C ATOM 1074 O LYS A 68 0.882 -8.461 -6.095 1.00 0.00 O ATOM 1075 CB LYS A 68 -0.740 -9.533 -8.745 1.00 0.00 C ATOM 1076 CG LYS A 68 -1.525 -10.675 -9.441 1.00 0.00 C ATOM 1077 CD LYS A 68 -1.497 -10.590 -10.984 1.00 0.00 C ATOM 1078 CE LYS A 68 -2.116 -9.284 -11.515 1.00 0.00 C ATOM 1079 NZ LYS A 68 -2.204 -9.267 -12.989 1.00 0.00 N ATOM 0 H LYS A 68 -3.031 -9.276 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.771 -10.285 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.969 -8.591 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.328 -9.709 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.109 -11.633 -9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.561 -10.652 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.466 -10.666 -11.330 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.037 -11.440 -11.401 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.113 -9.158 -11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.518 -8.437 -11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.627 -8.369 -13.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.251 -9.361 -13.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.797 -10.059 -13.311 1.00 0.00 H new ATOM 1093 N TYR A 69 -0.731 -6.995 -6.749 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.023 -5.768 -6.306 1.00 0.00 C ATOM 1095 C TYR A 69 -0.363 -5.431 -4.847 1.00 0.00 C ATOM 1096 O TYR A 69 0.436 -4.818 -4.148 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.375 -4.576 -7.230 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.126 -4.850 -8.721 1.00 0.00 C ATOM 1099 CD1 TYR A 69 1.137 -5.231 -9.183 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.156 -4.750 -9.659 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.356 -5.495 -10.520 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -0.938 -5.010 -10.989 1.00 0.00 C ATOM 1103 CZ TYR A 69 0.312 -5.387 -11.413 1.00 0.00 C ATOM 1104 OH TYR A 69 0.517 -5.651 -12.748 1.00 0.00 O ATOM 0 H TYR A 69 -1.653 -6.815 -7.146 1.00 0.00 H new ATOM 0 HA TYR A 69 1.049 -5.956 -6.370 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.424 -4.317 -7.089 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.211 -3.709 -6.927 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.954 -5.320 -8.483 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.144 -4.462 -9.331 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.338 -5.784 -10.864 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.747 -4.918 -11.699 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.323 -5.529 -13.238 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.559 -5.836 -4.396 1.00 0.00 N ATOM 1115 CA PHE A 70 -2.033 -5.585 -3.010 1.00 0.00 C ATOM 1116 C PHE A 70 -1.882 -6.843 -2.135 1.00 0.00 C ATOM 1117 O PHE A 70 -2.411 -6.922 -1.024 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.488 -5.053 -3.057 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.575 -3.637 -3.641 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.386 -2.527 -2.821 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.801 -3.421 -5.003 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.435 -1.246 -3.334 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.847 -2.137 -5.518 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.659 -1.050 -4.681 1.00 0.00 C ATOM 0 H PHE A 70 -2.229 -6.345 -4.972 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.413 -4.821 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.100 -5.728 -3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.905 -5.054 -2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.198 -2.671 -1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.941 -4.266 -5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.298 -0.397 -2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.029 -1.983 -6.571 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.688 -0.048 -5.083 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.082 -7.787 -2.649 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.814 -9.086 -2.039 1.00 0.00 C ATOM 1136 C LYS A 71 0.120 -8.941 -0.829 1.00 0.00 C ATOM 1137 O LYS A 71 -0.174 -9.454 0.260 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.233 -10.009 -3.151 1.00 0.00 C ATOM 1139 CG LYS A 71 0.406 -11.342 -2.690 1.00 0.00 C ATOM 1140 CD LYS A 71 1.953 -11.329 -2.738 1.00 0.00 C ATOM 1141 CE LYS A 71 2.505 -11.098 -4.153 1.00 0.00 C ATOM 1142 NZ LYS A 71 3.973 -10.993 -4.160 1.00 0.00 N ATOM 0 H LYS A 71 -0.589 -7.657 -3.532 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.727 -9.534 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.034 -10.241 -3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.519 -9.445 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.083 -11.559 -1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.037 -12.151 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.326 -10.547 -2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.331 -12.277 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.197 -11.918 -4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.074 -10.186 -4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.294 -10.671 -5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.276 -10.310 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.389 -11.924 -3.953 1.00 0.00 H new ATOM 1156 N ASP A 72 1.243 -8.241 -1.032 1.00 0.00 N ATOM 1157 CA ASP A 72 2.210 -7.940 0.041 1.00 0.00 C ATOM 1158 C ASP A 72 2.798 -6.544 -0.177 1.00 0.00 C ATOM 1159 O ASP A 72 2.655 -5.966 -1.253 1.00 0.00 O ATOM 1160 CB ASP A 72 3.334 -9.022 0.123 1.00 0.00 C ATOM 1161 CG ASP A 72 4.511 -8.804 -0.850 1.00 0.00 C ATOM 1162 OD1 ASP A 72 4.342 -9.009 -2.066 1.00 0.00 O ATOM 1163 OD2 ASP A 72 5.599 -8.404 -0.395 1.00 0.00 O ATOM 0 H ASP A 72 1.510 -7.866 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 72 1.686 -7.958 0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.722 -9.047 1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.894 -9.999 -0.074 1.00 0.00 H new ATOM 1168 N LEU A 73 3.517 -6.058 0.841 1.00 0.00 N ATOM 1169 CA LEU A 73 4.002 -4.672 0.932 1.00 0.00 C ATOM 1170 C LEU A 73 5.089 -4.351 -0.129 1.00 0.00 C ATOM 1171 O LEU A 73 5.197 -3.200 -0.585 1.00 0.00 O ATOM 1172 CB LEU A 73 4.531 -4.443 2.366 1.00 0.00 C ATOM 1173 CG LEU A 73 4.998 -3.008 2.711 1.00 0.00 C ATOM 1174 CD1 LEU A 73 3.821 -1.999 2.708 1.00 0.00 C ATOM 1175 CD2 LEU A 73 5.796 -2.993 4.037 1.00 0.00 C ATOM 0 H LEU A 73 3.785 -6.628 1.643 1.00 0.00 H new ATOM 0 HA LEU A 73 3.177 -3.992 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.746 -4.724 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.366 -5.123 2.534 1.00 0.00 H new ATOM 0 HG LEU A 73 5.676 -2.677 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.193 -1.005 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.361 -1.979 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.080 -2.303 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.114 -1.974 4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.164 -3.360 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.673 -3.634 3.941 1.00 0.00 H new ATOM 1187 N ASN A 74 5.886 -5.362 -0.523 1.00 0.00 N ATOM 1188 CA ASN A 74 6.879 -5.199 -1.613 1.00 0.00 C ATOM 1189 C ASN A 74 6.173 -5.016 -2.957 1.00 0.00 C ATOM 1190 O ASN A 74 6.581 -4.182 -3.768 1.00 0.00 O ATOM 1191 CB ASN A 74 7.850 -6.392 -1.700 1.00 0.00 C ATOM 1192 CG ASN A 74 8.736 -6.514 -0.468 1.00 0.00 C ATOM 1193 OD1 ASN A 74 9.771 -5.850 -0.357 1.00 0.00 O ATOM 1194 ND2 ASN A 74 8.351 -7.379 0.450 1.00 0.00 N ATOM 0 H ASN A 74 5.866 -6.294 -0.110 1.00 0.00 H new ATOM 0 HA ASN A 74 7.462 -4.308 -1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.279 -7.312 -1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.477 -6.282 -2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.915 -7.518 1.288 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.489 -7.909 0.322 1.00 0.00 H new ATOM 1201 N ALA A 75 5.101 -5.800 -3.167 1.00 0.00 N ATOM 1202 CA ALA A 75 4.287 -5.743 -4.389 1.00 0.00 C ATOM 1203 C ALA A 75 3.512 -4.416 -4.469 1.00 0.00 C ATOM 1204 O ALA A 75 3.236 -3.915 -5.571 1.00 0.00 O ATOM 1205 CB ALA A 75 3.341 -6.939 -4.445 1.00 0.00 C ATOM 0 H ALA A 75 4.776 -6.492 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 75 4.950 -5.789 -5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.742 -6.887 -5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.921 -7.862 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.683 -6.923 -3.576 1.00 0.00 H new ATOM 1211 N ILE A 76 3.163 -3.865 -3.286 1.00 0.00 N ATOM 1212 CA ILE A 76 2.572 -2.524 -3.155 1.00 0.00 C ATOM 1213 C ILE A 76 3.538 -1.475 -3.717 1.00 0.00 C ATOM 1214 O ILE A 76 3.205 -0.740 -4.641 1.00 0.00 O ATOM 1215 CB ILE A 76 2.253 -2.166 -1.646 1.00 0.00 C ATOM 1216 CG1 ILE A 76 1.214 -3.145 -1.010 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.786 -0.696 -1.497 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.220 -2.920 -1.426 1.00 0.00 C ATOM 0 H ILE A 76 3.286 -4.344 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 76 1.637 -2.523 -3.715 1.00 0.00 H new ATOM 0 HB ILE A 76 3.187 -2.283 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.495 -4.166 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.278 -3.063 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.576 -0.485 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.571 -0.027 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.883 -0.540 -2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.861 -3.649 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.528 -1.914 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.308 -3.034 -2.506 1.00 0.00 H new ATOM 1230 N SER A 77 4.759 -1.467 -3.170 1.00 0.00 N ATOM 1231 CA SER A 77 5.737 -0.401 -3.410 1.00 0.00 C ATOM 1232 C SER A 77 6.289 -0.445 -4.836 1.00 0.00 C ATOM 1233 O SER A 77 6.418 0.601 -5.464 1.00 0.00 O ATOM 1234 CB SER A 77 6.889 -0.495 -2.399 1.00 0.00 C ATOM 1235 OG SER A 77 7.452 -1.798 -2.390 1.00 0.00 O ATOM 0 H SER A 77 5.097 -2.201 -2.547 1.00 0.00 H new ATOM 0 HA SER A 77 5.220 0.550 -3.282 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.658 0.236 -2.649 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.525 -0.245 -1.403 1.00 0.00 H new ATOM 0 HG SER A 77 6.938 -2.381 -2.987 1.00 0.00 H new ATOM 1241 N ARG A 78 6.576 -1.675 -5.344 1.00 0.00 N ATOM 1242 CA ARG A 78 7.199 -1.877 -6.671 1.00 0.00 C ATOM 1243 C ARG A 78 6.329 -1.279 -7.788 1.00 0.00 C ATOM 1244 O ARG A 78 6.838 -0.719 -8.772 1.00 0.00 O ATOM 1245 CB ARG A 78 7.461 -3.393 -6.953 1.00 0.00 C ATOM 1246 CG ARG A 78 6.194 -4.252 -7.166 1.00 0.00 C ATOM 1247 CD ARG A 78 6.508 -5.723 -7.487 1.00 0.00 C ATOM 1248 NE ARG A 78 7.261 -5.848 -8.745 1.00 0.00 N ATOM 1249 CZ ARG A 78 8.337 -6.628 -8.947 1.00 0.00 C ATOM 1250 NH1 ARG A 78 8.827 -7.390 -7.976 1.00 0.00 N ATOM 1251 NH2 ARG A 78 8.927 -6.618 -10.121 1.00 0.00 N ATOM 0 H ARG A 78 6.382 -2.544 -4.846 1.00 0.00 H new ATOM 0 HA ARG A 78 8.157 -1.358 -6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.091 -3.478 -7.839 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.026 -3.809 -6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.576 -4.206 -6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.607 -3.826 -7.980 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.084 -6.160 -6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.579 -6.288 -7.560 1.00 0.00 H new ATOM 0 HE ARG A 78 6.937 -5.292 -9.536 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.386 -7.391 -7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.644 -7.975 -8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.568 -6.023 -10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.744 -7.206 -10.286 1.00 0.00 H new ATOM 1265 N THR A 79 5.004 -1.375 -7.586 1.00 0.00 N ATOM 1266 CA THR A 79 4.013 -0.915 -8.539 1.00 0.00 C ATOM 1267 C THR A 79 3.745 0.585 -8.336 1.00 0.00 C ATOM 1268 O THR A 79 3.356 1.264 -9.272 1.00 0.00 O ATOM 1269 CB THR A 79 2.699 -1.757 -8.407 1.00 0.00 C ATOM 1270 OG1 THR A 79 2.057 -1.834 -9.678 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.702 -1.183 -7.378 1.00 0.00 C ATOM 0 H THR A 79 4.599 -1.781 -6.742 1.00 0.00 H new ATOM 0 HA THR A 79 4.395 -1.055 -9.550 1.00 0.00 H new ATOM 0 HB THR A 79 2.996 -2.744 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.090 -1.933 -9.551 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.815 -1.816 -7.338 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.171 -1.153 -6.394 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.415 -0.174 -7.673 1.00 0.00 H new ATOM 1279 N VAL A 80 3.946 1.077 -7.087 1.00 0.00 N ATOM 1280 CA VAL A 80 3.876 2.520 -6.766 1.00 0.00 C ATOM 1281 C VAL A 80 4.962 3.274 -7.540 1.00 0.00 C ATOM 1282 O VAL A 80 4.710 4.363 -8.026 1.00 0.00 O ATOM 1283 CB VAL A 80 4.006 2.801 -5.202 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.347 4.288 -4.873 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.725 2.350 -4.450 1.00 0.00 C ATOM 0 H VAL A 80 4.159 0.488 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 80 2.893 2.880 -7.070 1.00 0.00 H new ATOM 0 HB VAL A 80 4.849 2.206 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.422 4.414 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.297 4.554 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.561 4.936 -5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.838 2.552 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.865 2.899 -4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.571 1.282 -4.602 1.00 0.00 H new ATOM 1295 N GLU A 81 6.151 2.658 -7.665 1.00 0.00 N ATOM 1296 CA GLU A 81 7.294 3.248 -8.393 1.00 0.00 C ATOM 1297 C GLU A 81 7.042 3.239 -9.914 1.00 0.00 C ATOM 1298 O GLU A 81 7.527 4.117 -10.640 1.00 0.00 O ATOM 1299 CB GLU A 81 8.604 2.483 -8.051 1.00 0.00 C ATOM 1300 CG GLU A 81 8.836 2.178 -6.545 1.00 0.00 C ATOM 1301 CD GLU A 81 9.068 3.389 -5.614 1.00 0.00 C ATOM 1302 OE1 GLU A 81 8.329 4.391 -5.679 1.00 0.00 O ATOM 1303 OE2 GLU A 81 10.013 3.349 -4.806 1.00 0.00 O ATOM 0 H GLU A 81 6.349 1.740 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 81 7.403 4.285 -8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.605 1.540 -8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.449 3.065 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.973 1.625 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.698 1.516 -6.462 1.00 0.00 H new ATOM 1310 N GLN A 82 6.283 2.228 -10.375 1.00 0.00 N ATOM 1311 CA GLN A 82 5.861 2.116 -11.781 1.00 0.00 C ATOM 1312 C GLN A 82 4.833 3.208 -12.103 1.00 0.00 C ATOM 1313 O GLN A 82 4.971 3.933 -13.086 1.00 0.00 O ATOM 1314 CB GLN A 82 5.287 0.698 -12.073 1.00 0.00 C ATOM 1315 CG GLN A 82 4.645 0.527 -13.477 1.00 0.00 C ATOM 1316 CD GLN A 82 5.595 0.860 -14.642 1.00 0.00 C ATOM 1317 OE1 GLN A 82 6.810 0.647 -14.557 1.00 0.00 O ATOM 1318 NE2 GLN A 82 5.058 1.432 -15.713 1.00 0.00 N ATOM 0 H GLN A 82 5.946 1.468 -9.784 1.00 0.00 H new ATOM 0 HA GLN A 82 6.729 2.257 -12.425 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.090 -0.032 -11.966 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.539 0.462 -11.316 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.300 -0.501 -13.585 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.765 1.167 -13.544 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.052 1.595 -15.754 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.652 1.709 -16.495 1.00 0.00 H new ATOM 1327 N LEU A 83 3.826 3.330 -11.229 1.00 0.00 N ATOM 1328 CA LEU A 83 2.756 4.340 -11.337 1.00 0.00 C ATOM 1329 C LEU A 83 3.299 5.758 -11.076 1.00 0.00 C ATOM 1330 O LEU A 83 2.715 6.742 -11.528 1.00 0.00 O ATOM 1331 CB LEU A 83 1.631 4.003 -10.329 1.00 0.00 C ATOM 1332 CG LEU A 83 0.845 2.679 -10.565 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.183 2.440 -9.436 1.00 0.00 C ATOM 1334 CD2 LEU A 83 0.184 2.655 -11.960 1.00 0.00 C ATOM 0 H LEU A 83 3.727 2.724 -10.415 1.00 0.00 H new ATOM 0 HA LEU A 83 2.358 4.320 -12.351 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.070 3.964 -9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.917 4.826 -10.331 1.00 0.00 H new ATOM 0 HG LEU A 83 1.558 1.855 -10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.719 1.510 -9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.336 2.374 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.892 3.268 -9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.356 1.717 -12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.512 3.489 -12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.952 2.741 -12.728 1.00 0.00 H new ATOM 1346 N LYS A 84 4.412 5.831 -10.329 1.00 0.00 N ATOM 1347 CA LYS A 84 5.152 7.080 -10.073 1.00 0.00 C ATOM 1348 C LYS A 84 5.834 7.545 -11.361 1.00 0.00 C ATOM 1349 O LYS A 84 5.886 8.747 -11.636 1.00 0.00 O ATOM 1350 CB LYS A 84 6.204 6.826 -8.966 1.00 0.00 C ATOM 1351 CG LYS A 84 7.152 7.996 -8.636 1.00 0.00 C ATOM 1352 CD LYS A 84 8.109 7.642 -7.472 1.00 0.00 C ATOM 1353 CE LYS A 84 7.389 7.526 -6.116 1.00 0.00 C ATOM 1354 NZ LYS A 84 6.846 8.830 -5.666 1.00 0.00 N ATOM 0 H LYS A 84 4.829 5.016 -9.880 1.00 0.00 H new ATOM 0 HA LYS A 84 4.465 7.859 -9.742 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.678 6.545 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.810 5.969 -9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.734 8.254 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.566 8.876 -8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.609 6.699 -7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.884 8.405 -7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.577 6.803 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.083 7.144 -5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.335 9.128 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.994 9.543 -6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.828 8.735 -5.475 1.00 0.00 H new ATOM 1368 N ALA A 85 6.343 6.560 -12.136 1.00 0.00 N ATOM 1369 CA ALA A 85 6.962 6.799 -13.452 1.00 0.00 C ATOM 1370 C ALA A 85 5.901 7.320 -14.436 1.00 0.00 C ATOM 1371 O ALA A 85 6.125 8.301 -15.145 1.00 0.00 O ATOM 1372 CB ALA A 85 7.614 5.508 -13.993 1.00 0.00 C ATOM 0 H ALA A 85 6.334 5.577 -11.863 1.00 0.00 H new ATOM 0 HA ALA A 85 7.745 7.550 -13.341 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.065 5.708 -14.965 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.384 5.171 -13.299 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.855 4.733 -14.097 1.00 0.00 H new ATOM 1378 N GLU A 86 4.726 6.658 -14.420 1.00 0.00 N ATOM 1379 CA GLU A 86 3.561 7.023 -15.254 1.00 0.00 C ATOM 1380 C GLU A 86 3.111 8.465 -14.953 1.00 0.00 C ATOM 1381 O GLU A 86 2.946 9.271 -15.866 1.00 0.00 O ATOM 1382 CB GLU A 86 2.396 6.016 -15.010 1.00 0.00 C ATOM 1383 CG GLU A 86 2.774 4.541 -15.247 1.00 0.00 C ATOM 1384 CD GLU A 86 3.216 4.252 -16.687 1.00 0.00 C ATOM 1385 OE1 GLU A 86 2.342 4.088 -17.559 1.00 0.00 O ATOM 1386 OE2 GLU A 86 4.432 4.179 -16.953 1.00 0.00 O ATOM 0 H GLU A 86 4.557 5.848 -13.823 1.00 0.00 H new ATOM 0 HA GLU A 86 3.849 6.973 -16.304 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.043 6.128 -13.985 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.564 6.275 -15.664 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.578 4.265 -14.565 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.919 3.910 -15.003 1.00 0.00 H new ATOM 1393 N SER A 87 2.992 8.773 -13.645 1.00 0.00 N ATOM 1394 CA SER A 87 2.587 10.105 -13.145 1.00 0.00 C ATOM 1395 C SER A 87 3.709 11.157 -13.346 1.00 0.00 C ATOM 1396 O SER A 87 3.427 12.355 -13.358 1.00 0.00 O ATOM 1397 CB SER A 87 2.187 10.009 -11.644 1.00 0.00 C ATOM 1398 OG SER A 87 1.094 9.114 -11.447 1.00 0.00 O ATOM 0 H SER A 87 3.175 8.100 -12.900 1.00 0.00 H new ATOM 0 HA SER A 87 1.725 10.436 -13.724 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.043 9.672 -11.060 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.918 10.999 -11.275 1.00 0.00 H new ATOM 0 HG SER A 87 1.424 8.191 -11.440 1.00 0.00 H new ATOM 1404 N ALA A 88 4.973 10.696 -13.505 1.00 0.00 N ATOM 1405 CA ALA A 88 6.128 11.586 -13.752 1.00 0.00 C ATOM 1406 C ALA A 88 6.066 12.149 -15.179 1.00 0.00 C ATOM 1407 O ALA A 88 6.336 13.336 -15.400 1.00 0.00 O ATOM 1408 CB ALA A 88 7.458 10.843 -13.516 1.00 0.00 C ATOM 0 H ALA A 88 5.217 9.706 -13.466 1.00 0.00 H new ATOM 0 HA ALA A 88 6.080 12.416 -13.047 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.291 11.520 -13.704 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.501 10.493 -12.485 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.523 9.990 -14.192 1.00 0.00 H new ATOM 1414 N LEU A 89 5.716 11.277 -16.146 1.00 0.00 N ATOM 1415 CA LEU A 89 5.532 11.671 -17.555 1.00 0.00 C ATOM 1416 C LEU A 89 4.168 12.367 -17.765 1.00 0.00 C ATOM 1417 O LEU A 89 4.041 13.237 -18.635 1.00 0.00 O ATOM 1418 CB LEU A 89 5.670 10.434 -18.507 1.00 0.00 C ATOM 1419 CG LEU A 89 7.121 9.909 -18.799 1.00 0.00 C ATOM 1420 CD1 LEU A 89 8.025 11.030 -19.332 1.00 0.00 C ATOM 1421 CD2 LEU A 89 7.748 9.219 -17.578 1.00 0.00 C ATOM 0 H LEU A 89 5.554 10.285 -15.972 1.00 0.00 H new ATOM 0 HA LEU A 89 6.319 12.383 -17.804 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.094 9.613 -18.080 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.205 10.688 -19.460 1.00 0.00 H new ATOM 0 HG LEU A 89 7.031 9.152 -19.578 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.022 10.633 -19.524 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.607 11.425 -20.258 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.088 11.829 -18.593 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.751 8.874 -17.830 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.805 9.926 -16.750 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.134 8.367 -17.286 1.00 0.00 H new ATOM 1433 N GLU A 90 3.167 12.004 -16.938 1.00 0.00 N ATOM 1434 CA GLU A 90 1.786 12.514 -17.057 1.00 0.00 C ATOM 1435 C GLU A 90 1.690 13.898 -16.365 1.00 0.00 C ATOM 1436 CB GLU A 90 0.757 11.474 -16.452 1.00 0.00 C ATOM 1437 CG GLU A 90 -0.442 11.128 -17.357 1.00 0.00 C ATOM 1438 CD GLU A 90 -0.011 10.478 -18.685 1.00 0.00 C ATOM 1439 OE1 GLU A 90 0.325 9.270 -18.693 1.00 0.00 O ATOM 1440 OE2 GLU A 90 0.014 11.173 -19.730 1.00 0.00 O ATOM 0 H GLU A 90 3.294 11.348 -16.167 1.00 0.00 H new ATOM 0 HA GLU A 90 1.528 12.641 -18.108 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.292 10.553 -16.218 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.377 11.870 -15.510 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.111 10.451 -16.825 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.008 12.035 -17.567 1.00 0.00 H new