USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 60 ASN : amide:sc= -0.258 K(o=-0.65,f=-4.9!) USER MOD Set 1.2: A 62 THR OG1 : rot -84:sc= -0.416 USER MOD Set 1.3: A 63 THR OG1 : rot 170:sc= 0.0246 USER MOD Set 2.1: A 7 GLN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -133:sc= 1.26 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -0.449 X(o=-0.45,f=-0.87) USER MOD Single : A 33 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.192 F(o=-1.8,f=-0.19) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -41:sc= 0.489 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 15:sc= -1.69 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.315 -4.855 -14.006 1.00 0.00 N ATOM 82 CA TYR A 6 4.113 -4.559 -14.855 1.00 0.00 C ATOM 83 C TYR A 6 3.811 -3.084 -14.712 1.00 0.00 C ATOM 84 O TYR A 6 4.477 -2.385 -13.972 1.00 0.00 O ATOM 85 CB TYR A 6 2.870 -5.365 -14.378 1.00 0.00 C ATOM 86 CG TYR A 6 3.291 -6.699 -13.760 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.242 -7.464 -14.392 1.00 0.00 C ATOM 88 CD2 TYR A 6 2.741 -7.147 -12.579 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.647 -8.658 -13.870 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.145 -8.348 -12.050 1.00 0.00 C ATOM 91 CZ TYR A 6 4.102 -9.114 -12.689 1.00 0.00 C ATOM 92 OH TYR A 6 4.511 -10.319 -12.159 1.00 0.00 O ATOM 0 HA TYR A 6 4.324 -4.837 -15.888 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.311 -4.781 -13.647 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.202 -5.544 -15.221 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.676 -7.114 -15.317 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.994 -6.555 -12.071 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.395 -9.246 -14.382 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.711 -8.698 -11.125 1.00 0.00 H new ATOM 0 HH TYR A 6 4.028 -10.490 -11.324 1.00 0.00 H new ATOM 102 N GLN A 7 2.809 -2.654 -15.433 1.00 0.00 N ATOM 103 CA GLN A 7 2.540 -1.179 -15.431 1.00 0.00 C ATOM 104 C GLN A 7 1.071 -0.830 -15.500 1.00 0.00 C ATOM 105 O GLN A 7 0.243 -1.621 -15.901 1.00 0.00 O ATOM 106 CB GLN A 7 3.266 -0.521 -16.617 1.00 0.00 C ATOM 107 CG GLN A 7 4.726 -0.221 -16.242 1.00 0.00 C ATOM 108 CD GLN A 7 5.405 0.579 -17.369 1.00 0.00 C ATOM 109 OE1 GLN A 7 6.264 1.403 -17.121 1.00 0.00 O ATOM 110 NE2 GLN A 7 5.064 0.380 -18.615 1.00 0.00 N ATOM 0 H GLN A 7 2.187 -3.228 -16.002 1.00 0.00 H new ATOM 0 HA GLN A 7 2.913 -0.801 -14.479 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.233 -1.180 -17.484 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.758 0.401 -16.898 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.762 0.344 -15.311 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.265 -1.153 -16.070 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.345 -0.307 -18.844 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.516 0.912 -19.359 1.00 0.00 H new ATOM 119 N TYR A 8 0.828 0.382 -15.077 1.00 0.00 N ATOM 120 CA TYR A 8 -0.559 0.885 -14.897 1.00 0.00 C ATOM 121 C TYR A 8 -0.553 2.379 -15.235 1.00 0.00 C ATOM 122 O TYR A 8 0.401 3.077 -14.950 1.00 0.00 O ATOM 123 CB TYR A 8 -0.998 0.671 -13.432 1.00 0.00 C ATOM 124 CG TYR A 8 -1.148 -0.832 -13.137 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.041 -1.611 -12.853 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.393 -1.426 -13.151 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.177 -2.955 -12.589 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.528 -2.770 -12.883 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.423 -3.545 -12.601 1.00 0.00 C ATOM 130 OH TYR A 8 -1.563 -4.891 -12.333 1.00 0.00 O ATOM 0 H TYR A 8 1.554 1.059 -14.844 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.256 0.353 -15.545 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.264 1.110 -12.757 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.944 1.181 -13.250 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.940 -1.160 -12.838 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.268 -0.833 -13.374 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.697 -3.551 -12.371 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.509 -3.221 -12.894 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.144 -5.300 -13.008 1.00 0.00 H new ATOM 140 N ARG A 9 -1.628 2.810 -15.833 1.00 0.00 N ATOM 141 CA ARG A 9 -1.740 4.208 -16.338 1.00 0.00 C ATOM 142 C ARG A 9 -2.901 4.855 -15.585 1.00 0.00 C ATOM 143 O ARG A 9 -4.039 4.466 -15.766 1.00 0.00 O ATOM 144 CB ARG A 9 -2.017 4.170 -17.854 1.00 0.00 C ATOM 145 CG ARG A 9 -2.117 5.611 -18.419 1.00 0.00 C ATOM 146 CD ARG A 9 -1.972 5.574 -19.956 1.00 0.00 C ATOM 147 NE ARG A 9 -2.664 6.776 -20.519 1.00 0.00 N ATOM 148 CZ ARG A 9 -2.926 6.849 -21.797 1.00 0.00 C ATOM 149 NH1 ARG A 9 -2.045 7.383 -22.597 1.00 0.00 N ATOM 150 NH2 ARG A 9 -4.065 6.388 -22.238 1.00 0.00 N ATOM 0 H ARG A 9 -2.455 2.237 -15.997 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.825 4.778 -16.177 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.220 3.627 -18.363 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.944 3.631 -18.048 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.074 6.055 -18.144 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.338 6.238 -17.985 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.919 5.574 -20.239 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.410 4.660 -20.357 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.932 7.542 -19.902 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.165 7.737 -22.223 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.236 7.446 -23.597 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.735 5.978 -21.588 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.284 6.438 -23.233 1.00 0.00 H new ATOM 164 N ALA A 10 -2.573 5.822 -14.764 1.00 0.00 N ATOM 165 CA ALA A 10 -3.624 6.612 -14.048 1.00 0.00 C ATOM 166 C ALA A 10 -4.723 7.047 -15.039 1.00 0.00 C ATOM 167 O ALA A 10 -4.446 7.715 -16.017 1.00 0.00 O ATOM 168 CB ALA A 10 -2.981 7.859 -13.404 1.00 0.00 C ATOM 0 H ALA A 10 -1.614 6.101 -14.557 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.072 5.992 -13.272 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.746 8.435 -12.883 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.214 7.548 -12.694 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.528 8.477 -14.180 1.00 0.00 H new ATOM 174 N LEU A 11 -5.933 6.643 -14.749 1.00 0.00 N ATOM 175 CA LEU A 11 -7.105 7.049 -15.581 1.00 0.00 C ATOM 176 C LEU A 11 -7.533 8.474 -15.191 1.00 0.00 C ATOM 177 O LEU A 11 -7.384 9.398 -15.967 1.00 0.00 O ATOM 178 CB LEU A 11 -8.255 6.016 -15.341 1.00 0.00 C ATOM 179 CG LEU A 11 -9.055 5.734 -16.651 1.00 0.00 C ATOM 180 CD1 LEU A 11 -9.733 7.044 -17.173 1.00 0.00 C ATOM 181 CD2 LEU A 11 -8.145 5.087 -17.753 1.00 0.00 C ATOM 0 H LEU A 11 -6.162 6.040 -13.959 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.853 7.055 -16.642 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.835 5.084 -14.963 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.932 6.395 -14.575 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.839 5.014 -16.417 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.286 6.828 -18.087 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.418 7.426 -16.416 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.968 7.792 -17.380 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.735 4.904 -18.651 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.324 5.763 -17.990 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.743 4.143 -17.385 1.00 0.00 H new ATOM 193 N TYR A 12 -8.051 8.590 -13.993 1.00 0.00 N ATOM 194 CA TYR A 12 -8.580 9.892 -13.479 1.00 0.00 C ATOM 195 C TYR A 12 -7.630 10.460 -12.421 1.00 0.00 C ATOM 196 O TYR A 12 -6.698 9.800 -12.000 1.00 0.00 O ATOM 197 CB TYR A 12 -9.984 9.654 -12.869 1.00 0.00 C ATOM 198 CG TYR A 12 -11.008 10.516 -13.613 1.00 0.00 C ATOM 199 CD1 TYR A 12 -11.222 11.826 -13.231 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.723 9.998 -14.673 1.00 0.00 C ATOM 201 CE1 TYR A 12 -12.140 12.606 -13.899 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.641 10.778 -15.341 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.855 12.088 -14.959 1.00 0.00 C ATOM 204 OH TYR A 12 -13.773 12.871 -15.628 1.00 0.00 O ATOM 0 H TYR A 12 -8.131 7.816 -13.333 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.655 10.611 -14.295 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.253 8.601 -12.946 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.981 9.906 -11.809 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.666 12.241 -12.403 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -11.562 8.975 -14.981 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.301 13.629 -13.591 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -13.197 10.363 -16.169 1.00 0.00 H new ATOM 0 HH TYR A 12 -14.185 12.349 -16.348 1.00 0.00 H new ATOM 214 N ASP A 13 -7.909 11.677 -12.026 1.00 0.00 N ATOM 215 CA ASP A 13 -7.131 12.324 -10.929 1.00 0.00 C ATOM 216 C ASP A 13 -7.664 11.878 -9.561 1.00 0.00 C ATOM 217 O ASP A 13 -8.826 12.079 -9.257 1.00 0.00 O ATOM 218 CB ASP A 13 -7.249 13.853 -11.062 1.00 0.00 C ATOM 219 CG ASP A 13 -6.081 14.499 -10.293 1.00 0.00 C ATOM 220 OD1 ASP A 13 -6.193 14.559 -9.077 1.00 0.00 O ATOM 221 OD2 ASP A 13 -5.140 14.892 -10.963 1.00 0.00 O ATOM 0 H ASP A 13 -8.651 12.255 -12.422 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.085 12.026 -11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.220 14.146 -12.112 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.203 14.196 -10.661 1.00 0.00 H new ATOM 226 N TYR A 14 -6.795 11.285 -8.781 1.00 0.00 N ATOM 227 CA TYR A 14 -7.126 10.906 -7.370 1.00 0.00 C ATOM 228 C TYR A 14 -6.080 11.535 -6.440 1.00 0.00 C ATOM 229 O TYR A 14 -4.898 11.378 -6.666 1.00 0.00 O ATOM 230 CB TYR A 14 -7.115 9.362 -7.295 1.00 0.00 C ATOM 231 CG TYR A 14 -6.930 8.840 -5.854 1.00 0.00 C ATOM 232 CD1 TYR A 14 -8.007 8.687 -5.006 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.670 8.512 -5.395 1.00 0.00 C ATOM 234 CE1 TYR A 14 -7.823 8.218 -3.720 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.484 8.042 -4.112 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.560 7.891 -3.263 1.00 0.00 C ATOM 237 OH TYR A 14 -6.374 7.421 -1.978 1.00 0.00 O ATOM 0 H TYR A 14 -5.847 11.042 -9.069 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.106 11.268 -7.060 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.050 8.975 -7.701 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.312 8.977 -7.923 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.000 8.935 -5.350 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.818 8.625 -6.050 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.674 8.106 -3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.491 7.791 -3.770 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.422 7.241 -1.830 1.00 0.00 H new ATOM 247 N LYS A 15 -6.532 12.218 -5.418 1.00 0.00 N ATOM 248 CA LYS A 15 -5.579 12.908 -4.490 1.00 0.00 C ATOM 249 C LYS A 15 -5.206 11.929 -3.363 1.00 0.00 C ATOM 250 O LYS A 15 -5.537 10.762 -3.433 1.00 0.00 O ATOM 251 CB LYS A 15 -6.278 14.175 -3.925 1.00 0.00 C ATOM 252 CG LYS A 15 -5.262 15.334 -3.817 1.00 0.00 C ATOM 253 CD LYS A 15 -5.920 16.542 -3.090 1.00 0.00 C ATOM 254 CE LYS A 15 -5.154 16.851 -1.787 1.00 0.00 C ATOM 255 NZ LYS A 15 -5.706 18.080 -1.147 1.00 0.00 N ATOM 0 H LYS A 15 -7.519 12.329 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.668 13.212 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.105 14.464 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.702 13.960 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.378 15.006 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.929 15.633 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.915 17.416 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.963 16.318 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.233 16.008 -1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.094 16.988 -2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.183 18.280 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.609 18.885 -1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.712 17.934 -0.925 1.00 0.00 H new ATOM 269 N LYS A 16 -4.535 12.418 -2.351 1.00 0.00 N ATOM 270 CA LYS A 16 -4.231 11.548 -1.168 1.00 0.00 C ATOM 271 C LYS A 16 -5.361 11.605 -0.140 1.00 0.00 C ATOM 272 O LYS A 16 -5.990 12.626 0.056 1.00 0.00 O ATOM 273 CB LYS A 16 -2.952 12.021 -0.468 1.00 0.00 C ATOM 274 CG LYS A 16 -1.720 11.633 -1.289 1.00 0.00 C ATOM 275 CD LYS A 16 -0.414 11.947 -0.519 1.00 0.00 C ATOM 276 CE LYS A 16 -0.434 13.382 0.052 1.00 0.00 C ATOM 277 NZ LYS A 16 0.935 13.780 0.481 1.00 0.00 N ATOM 0 H LYS A 16 -4.186 13.374 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.113 10.531 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.982 13.102 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.889 11.578 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.758 10.570 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.726 12.173 -2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.286 11.231 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.441 11.829 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.804 14.077 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.119 13.436 0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.912 14.747 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.273 13.125 1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.578 13.746 -0.336 1.00 0.00 H new ATOM 291 N GLU A 17 -5.568 10.469 0.478 1.00 0.00 N ATOM 292 CA GLU A 17 -6.535 10.348 1.609 1.00 0.00 C ATOM 293 C GLU A 17 -5.845 9.894 2.903 1.00 0.00 C ATOM 294 O GLU A 17 -6.402 10.011 3.978 1.00 0.00 O ATOM 295 CB GLU A 17 -7.621 9.345 1.206 1.00 0.00 C ATOM 296 CG GLU A 17 -8.969 10.088 1.189 1.00 0.00 C ATOM 297 CD GLU A 17 -9.423 10.403 2.629 1.00 0.00 C ATOM 298 OE1 GLU A 17 -9.867 9.468 3.276 1.00 0.00 O ATOM 299 OE2 GLU A 17 -9.302 11.558 3.005 1.00 0.00 O ATOM 0 H GLU A 17 -5.094 9.599 0.238 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.972 11.326 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.405 8.923 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.653 8.514 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.876 11.012 0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.722 9.479 0.688 1.00 0.00 H new ATOM 306 N ARG A 18 -4.650 9.390 2.738 1.00 0.00 N ATOM 307 CA ARG A 18 -3.843 8.868 3.885 1.00 0.00 C ATOM 308 C ARG A 18 -2.358 9.052 3.567 1.00 0.00 C ATOM 309 O ARG A 18 -1.951 8.974 2.425 1.00 0.00 O ATOM 310 CB ARG A 18 -4.159 7.373 4.088 1.00 0.00 C ATOM 311 CG ARG A 18 -3.481 6.856 5.381 1.00 0.00 C ATOM 312 CD ARG A 18 -3.989 5.433 5.705 1.00 0.00 C ATOM 313 NE ARG A 18 -4.957 5.499 6.845 1.00 0.00 N ATOM 314 CZ ARG A 18 -6.111 6.098 6.706 1.00 0.00 C ATOM 315 NH1 ARG A 18 -6.869 5.799 5.686 1.00 0.00 N ATOM 316 NH2 ARG A 18 -6.469 6.979 7.598 1.00 0.00 N ATOM 0 H ARG A 18 -4.187 9.316 1.832 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.088 9.411 4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.237 7.227 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.808 6.799 3.230 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.398 6.846 5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.700 7.528 6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.471 4.999 4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.151 4.785 5.962 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.714 5.072 7.739 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.559 5.104 5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.771 6.260 5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.853 7.188 8.384 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.365 7.459 7.510 1.00 0.00 H new ATOM 330 N GLU A 19 -1.590 9.286 4.600 1.00 0.00 N ATOM 331 CA GLU A 19 -0.101 9.378 4.457 1.00 0.00 C ATOM 332 C GLU A 19 0.533 8.133 3.795 1.00 0.00 C ATOM 333 O GLU A 19 1.694 8.156 3.429 1.00 0.00 O ATOM 334 CB GLU A 19 0.515 9.581 5.848 1.00 0.00 C ATOM 335 CG GLU A 19 -0.006 8.504 6.834 1.00 0.00 C ATOM 336 CD GLU A 19 0.887 8.486 8.087 1.00 0.00 C ATOM 337 OE1 GLU A 19 0.766 9.430 8.850 1.00 0.00 O ATOM 338 OE2 GLU A 19 1.637 7.531 8.213 1.00 0.00 O ATOM 0 H GLU A 19 -1.934 9.419 5.551 1.00 0.00 H new ATOM 0 HA GLU A 19 0.108 10.221 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.602 9.527 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.267 10.575 6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.038 8.718 7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.001 7.524 6.356 1.00 0.00 H new ATOM 345 N GLU A 20 -0.259 7.098 3.667 1.00 0.00 N ATOM 346 CA GLU A 20 0.188 5.836 3.001 1.00 0.00 C ATOM 347 C GLU A 20 0.098 5.951 1.473 1.00 0.00 C ATOM 348 O GLU A 20 1.015 5.556 0.776 1.00 0.00 O ATOM 349 CB GLU A 20 -0.704 4.661 3.486 1.00 0.00 C ATOM 350 CG GLU A 20 0.075 3.808 4.518 1.00 0.00 C ATOM 351 CD GLU A 20 1.136 2.884 3.851 1.00 0.00 C ATOM 352 OE1 GLU A 20 1.403 3.020 2.662 1.00 0.00 O ATOM 353 OE2 GLU A 20 1.636 2.063 4.602 1.00 0.00 O ATOM 0 H GLU A 20 -1.221 7.075 4.005 1.00 0.00 H new ATOM 0 HA GLU A 20 1.229 5.655 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.619 5.047 3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.001 4.043 2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.570 4.468 5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.628 3.198 5.085 1.00 0.00 H new ATOM 360 N ASP A 21 -0.999 6.489 1.000 1.00 0.00 N ATOM 361 CA ASP A 21 -1.203 6.612 -0.482 1.00 0.00 C ATOM 362 C ASP A 21 -0.507 7.879 -0.986 1.00 0.00 C ATOM 363 O ASP A 21 -0.142 8.731 -0.196 1.00 0.00 O ATOM 364 CB ASP A 21 -2.721 6.681 -0.801 1.00 0.00 C ATOM 365 CG ASP A 21 -3.446 7.759 0.037 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.034 8.902 -0.050 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.382 7.383 0.724 1.00 0.00 O ATOM 0 H ASP A 21 -1.763 6.849 1.573 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.777 5.742 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.858 6.894 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.175 5.709 -0.610 1.00 0.00 H new ATOM 372 N ILE A 22 -0.348 7.961 -2.282 1.00 0.00 N ATOM 373 CA ILE A 22 0.275 9.182 -2.887 1.00 0.00 C ATOM 374 C ILE A 22 -0.736 9.942 -3.738 1.00 0.00 C ATOM 375 O ILE A 22 -1.870 9.541 -3.920 1.00 0.00 O ATOM 376 CB ILE A 22 1.507 8.823 -3.813 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.957 7.368 -3.622 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.691 9.795 -3.487 1.00 0.00 C ATOM 379 CD1 ILE A 22 3.124 7.042 -4.576 1.00 0.00 C ATOM 0 H ILE A 22 -0.621 7.238 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 22 0.614 9.795 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 22 1.200 8.937 -4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.266 7.208 -2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.122 6.693 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.544 9.554 -4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.380 10.823 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.974 9.685 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.434 6.007 -4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.801 7.183 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.963 7.705 -4.365 1.00 0.00 H new ATOM 391 N ASP A 23 -0.233 11.041 -4.226 1.00 0.00 N ATOM 392 CA ASP A 23 -1.050 11.975 -5.065 1.00 0.00 C ATOM 393 C ASP A 23 -1.040 11.411 -6.495 1.00 0.00 C ATOM 394 O ASP A 23 0.000 11.384 -7.126 1.00 0.00 O ATOM 395 CB ASP A 23 -0.415 13.370 -5.058 1.00 0.00 C ATOM 396 CG ASP A 23 -0.410 13.908 -3.621 1.00 0.00 C ATOM 397 OD1 ASP A 23 -1.427 14.473 -3.247 1.00 0.00 O ATOM 398 OD2 ASP A 23 0.610 13.717 -2.979 1.00 0.00 O ATOM 0 H ASP A 23 0.730 11.341 -4.078 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.066 12.059 -4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.602 13.323 -5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.974 14.042 -5.710 1.00 0.00 H new ATOM 403 N LEU A 24 -2.178 10.971 -6.963 1.00 0.00 N ATOM 404 CA LEU A 24 -2.271 10.417 -8.354 1.00 0.00 C ATOM 405 C LEU A 24 -2.925 11.410 -9.318 1.00 0.00 C ATOM 406 O LEU A 24 -3.841 12.128 -8.964 1.00 0.00 O ATOM 407 CB LEU A 24 -3.101 9.115 -8.344 1.00 0.00 C ATOM 408 CG LEU A 24 -2.536 8.108 -7.304 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.413 6.819 -7.306 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.051 7.745 -7.641 1.00 0.00 C ATOM 0 H LEU A 24 -3.055 10.970 -6.441 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.255 10.220 -8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.141 9.343 -8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.090 8.664 -9.336 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.561 8.566 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.020 6.110 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.439 7.077 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.394 6.368 -8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.672 7.039 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.003 7.294 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.443 8.649 -7.624 1.00 0.00 H new ATOM 422 N HIS A 25 -2.418 11.410 -10.521 1.00 0.00 N ATOM 423 CA HIS A 25 -2.895 12.370 -11.570 1.00 0.00 C ATOM 424 C HIS A 25 -2.741 11.728 -12.949 1.00 0.00 C ATOM 425 O HIS A 25 -2.160 10.668 -13.090 1.00 0.00 O ATOM 426 CB HIS A 25 -2.058 13.697 -11.515 1.00 0.00 C ATOM 427 CG HIS A 25 -0.746 13.489 -10.747 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.611 13.661 -9.471 1.00 0.00 N ATOM 429 CD2 HIS A 25 0.510 13.097 -11.172 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.609 13.404 -9.122 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.344 13.048 -10.148 1.00 0.00 N ATOM 0 H HIS A 25 -1.681 10.776 -10.831 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.943 12.606 -11.386 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.841 14.036 -12.528 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.644 14.481 -11.035 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.354 13.955 -8.836 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.772 12.864 -12.194 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.977 13.474 -8.109 1.00 0.00 H new ATOM 439 N LEU A 26 -3.273 12.405 -13.938 1.00 0.00 N ATOM 440 CA LEU A 26 -3.252 11.877 -15.336 1.00 0.00 C ATOM 441 C LEU A 26 -1.798 11.785 -15.844 1.00 0.00 C ATOM 442 O LEU A 26 -0.926 12.484 -15.364 1.00 0.00 O ATOM 443 CB LEU A 26 -4.085 12.830 -16.227 1.00 0.00 C ATOM 444 CG LEU A 26 -5.591 12.737 -15.840 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.857 13.528 -14.520 1.00 0.00 C ATOM 446 CD2 LEU A 26 -6.460 13.324 -16.993 1.00 0.00 C ATOM 0 H LEU A 26 -3.726 13.313 -13.833 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.682 10.876 -15.370 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.733 13.854 -16.108 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.954 12.568 -17.277 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.856 11.692 -15.681 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.913 13.456 -14.259 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.255 13.106 -13.715 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.589 14.575 -14.663 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.514 13.259 -16.723 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.191 14.367 -17.157 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.284 12.756 -17.907 1.00 0.00 H new ATOM 458 N GLY A 27 -1.579 10.920 -16.801 1.00 0.00 N ATOM 459 CA GLY A 27 -0.209 10.742 -17.395 1.00 0.00 C ATOM 460 C GLY A 27 0.782 10.026 -16.452 1.00 0.00 C ATOM 461 O GLY A 27 1.844 9.605 -16.872 1.00 0.00 O ATOM 0 H GLY A 27 -2.298 10.319 -17.205 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.294 10.172 -18.320 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.194 11.720 -17.658 1.00 0.00 H new ATOM 465 N ASP A 28 0.388 9.919 -15.208 1.00 0.00 N ATOM 466 CA ASP A 28 1.247 9.341 -14.127 1.00 0.00 C ATOM 467 C ASP A 28 1.272 7.804 -14.252 1.00 0.00 C ATOM 468 O ASP A 28 0.263 7.154 -14.065 1.00 0.00 O ATOM 469 CB ASP A 28 0.649 9.781 -12.775 1.00 0.00 C ATOM 470 CG ASP A 28 1.665 9.639 -11.629 1.00 0.00 C ATOM 471 OD1 ASP A 28 2.549 10.479 -11.563 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.491 8.692 -10.880 1.00 0.00 O ATOM 0 H ASP A 28 -0.531 10.221 -14.885 1.00 0.00 H new ATOM 0 HA ASP A 28 2.275 9.695 -14.207 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.320 10.818 -12.843 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.234 9.180 -12.555 1.00 0.00 H new ATOM 477 N ILE A 29 2.422 7.264 -14.565 1.00 0.00 N ATOM 478 CA ILE A 29 2.560 5.775 -14.705 1.00 0.00 C ATOM 479 C ILE A 29 3.111 5.173 -13.394 1.00 0.00 C ATOM 480 O ILE A 29 3.860 5.807 -12.674 1.00 0.00 O ATOM 481 CB ILE A 29 3.502 5.521 -15.953 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.797 4.574 -16.965 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.916 4.946 -15.618 1.00 0.00 C ATOM 484 CD1 ILE A 29 1.695 5.329 -17.737 1.00 0.00 C ATOM 0 H ILE A 29 3.279 7.791 -14.732 1.00 0.00 H new ATOM 0 HA ILE A 29 1.602 5.283 -14.877 1.00 0.00 H new ATOM 0 HB ILE A 29 3.675 6.509 -16.378 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.529 4.172 -17.665 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.362 3.726 -16.436 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.481 4.809 -16.540 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.447 5.641 -14.967 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.808 3.986 -15.113 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.213 4.650 -18.440 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.954 5.709 -17.034 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.138 6.162 -18.283 1.00 0.00 H new ATOM 496 N LEU A 30 2.713 3.954 -13.138 1.00 0.00 N ATOM 497 CA LEU A 30 3.148 3.200 -11.917 1.00 0.00 C ATOM 498 C LEU A 30 3.779 1.875 -12.370 1.00 0.00 C ATOM 499 O LEU A 30 3.342 1.309 -13.355 1.00 0.00 O ATOM 500 CB LEU A 30 1.916 2.922 -11.033 1.00 0.00 C ATOM 501 CG LEU A 30 1.666 4.068 -10.014 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.335 5.390 -10.756 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.459 3.676 -9.125 1.00 0.00 C ATOM 0 H LEU A 30 2.082 3.430 -13.745 1.00 0.00 H new ATOM 0 HA LEU A 30 3.873 3.778 -11.344 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.036 2.799 -11.664 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.058 1.984 -10.497 1.00 0.00 H new ATOM 0 HG LEU A 30 2.561 4.217 -9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.163 6.183 -10.028 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.170 5.665 -11.400 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.439 5.253 -11.362 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.267 4.469 -8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.422 3.534 -9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.682 2.749 -8.597 1.00 0.00 H new ATOM 515 N THR A 31 4.775 1.425 -11.642 1.00 0.00 N ATOM 516 CA THR A 31 5.509 0.169 -12.022 1.00 0.00 C ATOM 517 C THR A 31 5.536 -0.796 -10.824 1.00 0.00 C ATOM 518 O THR A 31 5.963 -0.421 -9.750 1.00 0.00 O ATOM 519 CB THR A 31 6.961 0.526 -12.435 1.00 0.00 C ATOM 520 OG1 THR A 31 6.833 1.578 -13.385 1.00 0.00 O ATOM 521 CG2 THR A 31 7.642 -0.633 -13.218 1.00 0.00 C ATOM 0 H THR A 31 5.115 1.877 -10.793 1.00 0.00 H new ATOM 0 HA THR A 31 5.000 -0.310 -12.858 1.00 0.00 H new ATOM 0 HB THR A 31 7.541 0.759 -11.542 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.723 1.855 -13.689 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.657 -0.342 -13.488 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.675 -1.525 -12.592 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.072 -0.845 -14.123 1.00 0.00 H new ATOM 529 N VAL A 32 5.078 -2.005 -11.035 1.00 0.00 N ATOM 530 CA VAL A 32 5.019 -3.006 -9.920 1.00 0.00 C ATOM 531 C VAL A 32 6.275 -3.897 -9.961 1.00 0.00 C ATOM 532 O VAL A 32 7.378 -3.385 -9.933 1.00 0.00 O ATOM 533 CB VAL A 32 3.713 -3.858 -10.078 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.454 -4.656 -8.754 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.528 -2.932 -10.390 1.00 0.00 C ATOM 0 H VAL A 32 4.740 -2.345 -11.935 1.00 0.00 H new ATOM 0 HA VAL A 32 4.995 -2.502 -8.954 1.00 0.00 H new ATOM 0 HB VAL A 32 3.828 -4.564 -10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.546 -5.250 -8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.299 -5.316 -8.556 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.337 -3.958 -7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.621 -3.526 -10.500 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.399 -2.219 -9.575 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.722 -2.392 -11.317 1.00 0.00 H new ATOM 545 N ASN A 33 6.075 -5.192 -10.025 1.00 0.00 N ATOM 546 CA ASN A 33 7.185 -6.172 -9.876 1.00 0.00 C ATOM 547 C ASN A 33 6.966 -7.300 -10.882 1.00 0.00 C ATOM 548 O ASN A 33 6.076 -7.241 -11.708 1.00 0.00 O ATOM 549 CB ASN A 33 7.178 -6.730 -8.441 1.00 0.00 C ATOM 550 CG ASN A 33 7.396 -5.574 -7.457 1.00 0.00 C ATOM 551 OD1 ASN A 33 8.403 -4.894 -7.482 1.00 0.00 O ATOM 552 ND2 ASN A 33 6.471 -5.323 -6.573 1.00 0.00 N ATOM 0 H ASN A 33 5.160 -5.617 -10.179 1.00 0.00 H new ATOM 0 HA ASN A 33 8.147 -5.696 -10.062 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.230 -7.227 -8.235 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.962 -7.478 -8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.595 -4.560 -5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.623 -5.890 -6.547 1.00 0.00 H new ATOM 737 N GLU A 47 -3.146 -9.885 -12.802 1.00 0.00 N ATOM 738 CA GLU A 47 -2.651 -8.464 -12.857 1.00 0.00 C ATOM 739 C GLU A 47 -3.327 -7.562 -13.916 1.00 0.00 C ATOM 740 O GLU A 47 -3.243 -6.352 -13.833 1.00 0.00 O ATOM 741 CB GLU A 47 -1.110 -8.447 -13.120 1.00 0.00 C ATOM 742 CG GLU A 47 -0.585 -9.783 -13.711 1.00 0.00 C ATOM 743 CD GLU A 47 0.879 -9.646 -14.186 1.00 0.00 C ATOM 744 OE1 GLU A 47 1.146 -8.724 -14.943 1.00 0.00 O ATOM 745 OE2 GLU A 47 1.657 -10.486 -13.762 1.00 0.00 O ATOM 0 HA GLU A 47 -2.913 -8.047 -11.884 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.872 -7.634 -13.806 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.589 -8.239 -12.185 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.654 -10.569 -12.959 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.215 -10.086 -14.547 1.00 0.00 H new ATOM 752 N ALA A 48 -3.975 -8.172 -14.871 1.00 0.00 N ATOM 753 CA ALA A 48 -4.660 -7.416 -15.974 1.00 0.00 C ATOM 754 C ALA A 48 -6.073 -6.949 -15.593 1.00 0.00 C ATOM 755 O ALA A 48 -6.653 -6.148 -16.299 1.00 0.00 O ATOM 756 CB ALA A 48 -4.726 -8.332 -17.219 1.00 0.00 C ATOM 0 H ALA A 48 -4.064 -9.186 -14.939 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.083 -6.514 -16.176 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.220 -7.803 -18.034 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.716 -8.605 -17.524 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.289 -9.234 -16.978 1.00 0.00 H new ATOM 762 N LYS A 49 -6.573 -7.462 -14.497 1.00 0.00 N ATOM 763 CA LYS A 49 -7.957 -7.137 -14.025 1.00 0.00 C ATOM 764 C LYS A 49 -7.866 -6.553 -12.596 1.00 0.00 C ATOM 765 O LYS A 49 -8.054 -7.262 -11.627 1.00 0.00 O ATOM 766 CB LYS A 49 -8.799 -8.450 -14.052 1.00 0.00 C ATOM 767 CG LYS A 49 -9.663 -8.538 -15.331 1.00 0.00 C ATOM 768 CD LYS A 49 -8.781 -8.543 -16.605 1.00 0.00 C ATOM 769 CE LYS A 49 -9.438 -9.393 -17.704 1.00 0.00 C ATOM 770 NZ LYS A 49 -9.164 -10.839 -17.466 1.00 0.00 N ATOM 0 H LYS A 49 -6.067 -8.110 -13.893 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.437 -6.398 -14.667 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.134 -9.312 -14.000 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.442 -8.490 -13.173 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.269 -9.443 -15.302 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.352 -7.694 -15.366 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.638 -7.523 -16.961 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.793 -8.940 -16.370 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.513 -9.216 -17.717 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.054 -9.098 -18.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.612 -11.405 -18.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.137 -11.004 -17.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.551 -11.118 -16.542 1.00 0.00 H new ATOM 784 N PRO A 50 -7.575 -5.270 -12.497 1.00 0.00 N ATOM 785 CA PRO A 50 -7.594 -4.552 -11.192 1.00 0.00 C ATOM 786 C PRO A 50 -8.998 -4.469 -10.572 1.00 0.00 C ATOM 787 O PRO A 50 -9.131 -4.086 -9.423 1.00 0.00 O ATOM 788 CB PRO A 50 -7.012 -3.161 -11.470 1.00 0.00 C ATOM 789 CG PRO A 50 -6.792 -3.049 -13.005 1.00 0.00 C ATOM 790 CD PRO A 50 -7.197 -4.394 -13.640 1.00 0.00 C ATOM 0 HA PRO A 50 -7.005 -5.094 -10.452 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.692 -2.384 -11.122 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.072 -3.024 -10.936 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.390 -2.237 -13.418 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.749 -2.821 -13.226 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.030 -4.268 -14.331 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.373 -4.824 -14.209 1.00 0.00 H new ATOM 798 N GLU A 51 -9.998 -4.827 -11.340 1.00 0.00 N ATOM 799 CA GLU A 51 -11.413 -4.701 -10.866 1.00 0.00 C ATOM 800 C GLU A 51 -11.668 -5.553 -9.613 1.00 0.00 C ATOM 801 O GLU A 51 -12.401 -5.156 -8.726 1.00 0.00 O ATOM 802 CB GLU A 51 -12.360 -5.140 -12.000 1.00 0.00 C ATOM 803 CG GLU A 51 -12.226 -6.658 -12.286 1.00 0.00 C ATOM 804 CD GLU A 51 -12.955 -7.003 -13.595 1.00 0.00 C ATOM 805 OE1 GLU A 51 -12.460 -6.569 -14.622 1.00 0.00 O ATOM 806 OE2 GLU A 51 -13.966 -7.680 -13.498 1.00 0.00 O ATOM 0 H GLU A 51 -9.894 -5.204 -12.282 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.598 -3.661 -10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.390 -4.908 -11.728 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.135 -4.575 -12.905 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.174 -6.933 -12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.648 -7.232 -11.461 1.00 0.00 H new ATOM 813 N GLU A 52 -11.042 -6.699 -9.593 1.00 0.00 N ATOM 814 CA GLU A 52 -11.249 -7.681 -8.484 1.00 0.00 C ATOM 815 C GLU A 52 -10.222 -7.450 -7.372 1.00 0.00 C ATOM 816 O GLU A 52 -10.493 -7.708 -6.216 1.00 0.00 O ATOM 817 CB GLU A 52 -11.109 -9.109 -9.046 1.00 0.00 C ATOM 818 CG GLU A 52 -9.951 -9.166 -10.068 1.00 0.00 C ATOM 819 CD GLU A 52 -9.535 -10.617 -10.329 1.00 0.00 C ATOM 820 OE1 GLU A 52 -9.051 -11.216 -9.382 1.00 0.00 O ATOM 821 OE2 GLU A 52 -9.721 -11.044 -11.457 1.00 0.00 O ATOM 0 H GLU A 52 -10.384 -7.003 -10.310 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.246 -7.549 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.922 -9.811 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.041 -9.414 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.259 -8.697 -11.002 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.099 -8.599 -9.693 1.00 0.00 H new ATOM 828 N ILE A 53 -9.069 -6.968 -7.761 1.00 0.00 N ATOM 829 CA ILE A 53 -8.007 -6.638 -6.760 1.00 0.00 C ATOM 830 C ILE A 53 -8.423 -5.384 -5.976 1.00 0.00 C ATOM 831 O ILE A 53 -9.111 -4.529 -6.502 1.00 0.00 O ATOM 832 CB ILE A 53 -6.680 -6.392 -7.509 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.291 -7.696 -8.272 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.563 -6.024 -6.480 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.066 -7.447 -9.178 1.00 0.00 C ATOM 0 H ILE A 53 -8.816 -6.788 -8.732 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.875 -7.461 -6.058 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.793 -5.571 -8.217 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.068 -8.489 -7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.133 -8.037 -8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.625 -5.850 -7.008 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.849 -5.121 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.435 -6.844 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.808 -8.367 -9.703 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.303 -6.669 -9.904 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.221 -7.129 -8.568 1.00 0.00 H new ATOM 847 N GLY A 54 -7.983 -5.319 -4.743 1.00 0.00 N ATOM 848 CA GLY A 54 -8.270 -4.121 -3.904 1.00 0.00 C ATOM 849 C GLY A 54 -7.161 -3.092 -4.097 1.00 0.00 C ATOM 850 O GLY A 54 -7.192 -2.308 -5.026 1.00 0.00 O ATOM 0 H GLY A 54 -7.436 -6.047 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.233 -3.691 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.338 -4.406 -2.854 1.00 0.00 H new ATOM 854 N TRP A 55 -6.218 -3.145 -3.199 1.00 0.00 N ATOM 855 CA TRP A 55 -5.099 -2.157 -3.174 1.00 0.00 C ATOM 856 C TRP A 55 -3.858 -2.753 -3.840 1.00 0.00 C ATOM 857 O TRP A 55 -3.411 -3.825 -3.479 1.00 0.00 O ATOM 858 CB TRP A 55 -4.819 -1.795 -1.709 1.00 0.00 C ATOM 859 CG TRP A 55 -5.898 -0.797 -1.277 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.103 -1.128 -0.736 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.813 0.549 -1.374 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.668 0.046 -0.540 1.00 0.00 N ATOM 863 CE2 TRP A 55 -6.972 1.115 -0.892 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.800 1.357 -1.853 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.122 2.486 -0.888 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -4.948 2.725 -1.847 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.110 3.286 -1.368 1.00 0.00 C ATOM 0 H TRP A 55 -6.174 -3.849 -2.462 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.368 -1.258 -3.728 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.844 -2.685 -1.081 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.826 -1.358 -1.603 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.498 -2.110 -0.521 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.601 0.127 -0.135 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.891 0.914 -2.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -8.031 2.930 -0.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.154 3.357 -2.217 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.228 4.359 -1.369 1.00 0.00 H new ATOM 878 N LEU A 56 -3.344 -2.030 -4.801 1.00 0.00 N ATOM 879 CA LEU A 56 -2.059 -2.410 -5.466 1.00 0.00 C ATOM 880 C LEU A 56 -0.910 -1.606 -4.851 1.00 0.00 C ATOM 881 O LEU A 56 -1.095 -0.459 -4.490 1.00 0.00 O ATOM 882 CB LEU A 56 -2.152 -2.101 -6.962 1.00 0.00 C ATOM 883 CG LEU A 56 -3.336 -2.888 -7.604 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.621 -2.007 -7.626 1.00 0.00 C ATOM 885 CD2 LEU A 56 -2.971 -3.344 -9.048 1.00 0.00 C ATOM 0 H LEU A 56 -3.769 -1.175 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.875 -3.475 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.294 -1.031 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.218 -2.370 -7.455 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.528 -3.775 -7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.439 -2.568 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.889 -1.729 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.434 -1.106 -8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.809 -3.891 -9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.754 -2.470 -9.662 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.094 -3.991 -9.015 1.00 0.00 H new ATOM 897 N ASN A 57 0.235 -2.231 -4.756 1.00 0.00 N ATOM 898 CA ASN A 57 1.486 -1.498 -4.386 1.00 0.00 C ATOM 899 C ASN A 57 2.338 -1.313 -5.648 1.00 0.00 C ATOM 900 O ASN A 57 2.640 -2.276 -6.330 1.00 0.00 O ATOM 901 CB ASN A 57 2.258 -2.320 -3.335 1.00 0.00 C ATOM 902 CG ASN A 57 2.046 -1.713 -1.947 1.00 0.00 C ATOM 903 OD1 ASN A 57 0.827 -1.596 -1.505 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 2.976 -1.341 -1.257 1.00 0.00 N flip ATOM 0 H ASN A 57 0.359 -3.230 -4.921 1.00 0.00 H new ATOM 0 HA ASN A 57 1.248 -0.521 -3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.916 -3.355 -3.346 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.320 -2.333 -3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.933 -1.431 -1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.799 -0.939 -0.336 1.00 0.00 H new ATOM 911 N GLY A 58 2.700 -0.085 -5.919 1.00 0.00 N ATOM 912 CA GLY A 58 3.648 0.199 -7.041 1.00 0.00 C ATOM 913 C GLY A 58 4.576 1.370 -6.705 1.00 0.00 C ATOM 914 O GLY A 58 4.292 2.171 -5.835 1.00 0.00 O ATOM 0 H GLY A 58 2.379 0.738 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.243 -0.690 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.085 0.427 -7.946 1.00 0.00 H new ATOM 918 N TYR A 59 5.663 1.416 -7.431 1.00 0.00 N ATOM 919 CA TYR A 59 6.606 2.573 -7.365 1.00 0.00 C ATOM 920 C TYR A 59 6.181 3.645 -8.377 1.00 0.00 C ATOM 921 O TYR A 59 6.086 3.385 -9.560 1.00 0.00 O ATOM 922 CB TYR A 59 8.026 2.075 -7.705 1.00 0.00 C ATOM 923 CG TYR A 59 8.806 1.814 -6.417 1.00 0.00 C ATOM 924 CD1 TYR A 59 8.652 0.627 -5.730 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.676 2.768 -5.931 1.00 0.00 C ATOM 926 CE1 TYR A 59 9.360 0.398 -4.571 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.385 2.539 -4.772 1.00 0.00 C ATOM 928 CZ TYR A 59 10.231 1.353 -4.083 1.00 0.00 C ATOM 929 OH TYR A 59 10.943 1.124 -2.924 1.00 0.00 O ATOM 0 H TYR A 59 5.943 0.682 -8.082 1.00 0.00 H new ATOM 0 HA TYR A 59 6.593 3.005 -6.364 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.969 1.162 -8.298 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.546 2.817 -8.312 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.973 -0.126 -6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.802 3.700 -6.462 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.233 -0.534 -4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.065 3.292 -4.401 1.00 0.00 H new ATOM 0 HH TYR A 59 11.508 1.901 -2.728 1.00 0.00 H new ATOM 939 N ASN A 60 5.939 4.822 -7.858 1.00 0.00 N ATOM 940 CA ASN A 60 5.580 5.991 -8.717 1.00 0.00 C ATOM 941 C ASN A 60 6.854 6.774 -9.086 1.00 0.00 C ATOM 942 O ASN A 60 7.041 7.917 -8.710 1.00 0.00 O ATOM 943 CB ASN A 60 4.582 6.863 -7.916 1.00 0.00 C ATOM 944 CG ASN A 60 3.807 7.803 -8.848 1.00 0.00 C ATOM 945 OD1 ASN A 60 3.925 7.769 -10.057 1.00 0.00 O ATOM 946 ND2 ASN A 60 2.992 8.662 -8.303 1.00 0.00 N ATOM 0 H ASN A 60 5.976 5.025 -6.859 1.00 0.00 H new ATOM 0 HA ASN A 60 5.117 5.674 -9.651 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.884 6.222 -7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.121 7.447 -7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.457 9.301 -8.891 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.889 8.695 -7.289 1.00 0.00 H new ATOM 953 N GLU A 61 7.696 6.101 -9.830 1.00 0.00 N ATOM 954 CA GLU A 61 9.012 6.680 -10.254 1.00 0.00 C ATOM 955 C GLU A 61 8.848 8.055 -10.922 1.00 0.00 C ATOM 956 O GLU A 61 9.724 8.890 -10.813 1.00 0.00 O ATOM 957 CB GLU A 61 9.698 5.727 -11.246 1.00 0.00 C ATOM 958 CG GLU A 61 9.889 4.318 -10.612 1.00 0.00 C ATOM 959 CD GLU A 61 10.723 3.361 -11.506 1.00 0.00 C ATOM 960 OE1 GLU A 61 11.045 3.719 -12.632 1.00 0.00 O ATOM 961 OE2 GLU A 61 10.999 2.289 -10.989 1.00 0.00 O ATOM 0 H GLU A 61 7.524 5.155 -10.169 1.00 0.00 H new ATOM 0 HA GLU A 61 9.618 6.806 -9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.099 5.645 -12.153 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.666 6.134 -11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.380 4.424 -9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.911 3.873 -10.426 1.00 0.00 H new ATOM 968 N THR A 62 7.731 8.242 -11.586 1.00 0.00 N ATOM 969 CA THR A 62 7.436 9.545 -12.269 1.00 0.00 C ATOM 970 C THR A 62 7.557 10.726 -11.301 1.00 0.00 C ATOM 971 O THR A 62 8.196 11.714 -11.604 1.00 0.00 O ATOM 972 CB THR A 62 6.005 9.521 -12.847 1.00 0.00 C ATOM 973 OG1 THR A 62 5.156 9.155 -11.771 1.00 0.00 O ATOM 974 CG2 THR A 62 5.835 8.409 -13.905 1.00 0.00 C ATOM 0 H THR A 62 7.000 7.537 -11.685 1.00 0.00 H new ATOM 0 HA THR A 62 8.166 9.672 -13.068 1.00 0.00 H new ATOM 0 HB THR A 62 5.785 10.489 -13.297 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.143 8.179 -11.682 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.815 8.424 -14.288 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.533 8.577 -14.725 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.037 7.440 -13.450 1.00 0.00 H new ATOM 982 N THR A 63 6.937 10.570 -10.163 1.00 0.00 N ATOM 983 CA THR A 63 7.019 11.616 -9.091 1.00 0.00 C ATOM 984 C THR A 63 8.212 11.357 -8.158 1.00 0.00 C ATOM 985 O THR A 63 8.505 12.157 -7.290 1.00 0.00 O ATOM 986 CB THR A 63 5.710 11.601 -8.278 1.00 0.00 C ATOM 987 OG1 THR A 63 5.537 10.251 -7.863 1.00 0.00 O ATOM 988 CG2 THR A 63 4.489 11.927 -9.174 1.00 0.00 C ATOM 0 H THR A 63 6.371 9.756 -9.923 1.00 0.00 H new ATOM 0 HA THR A 63 7.161 12.590 -9.559 1.00 0.00 H new ATOM 0 HB THR A 63 5.770 12.327 -7.467 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.810 10.201 -7.208 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.581 11.909 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.614 12.917 -9.613 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.412 11.185 -9.969 1.00 0.00 H new ATOM 996 N GLY A 64 8.863 10.242 -8.380 1.00 0.00 N ATOM 997 CA GLY A 64 10.073 9.887 -7.581 1.00 0.00 C ATOM 998 C GLY A 64 9.672 9.366 -6.199 1.00 0.00 C ATOM 999 O GLY A 64 10.446 9.452 -5.267 1.00 0.00 O ATOM 0 H GLY A 64 8.603 9.556 -9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.653 9.129 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.714 10.762 -7.474 1.00 0.00 H new ATOM 1003 N GLU A 65 8.472 8.844 -6.122 1.00 0.00 N ATOM 1004 CA GLU A 65 7.894 8.383 -4.821 1.00 0.00 C ATOM 1005 C GLU A 65 7.366 6.957 -4.984 1.00 0.00 C ATOM 1006 O GLU A 65 7.443 6.378 -6.052 1.00 0.00 O ATOM 1007 CB GLU A 65 6.740 9.332 -4.399 1.00 0.00 C ATOM 1008 CG GLU A 65 7.230 10.805 -4.354 1.00 0.00 C ATOM 1009 CD GLU A 65 8.499 10.974 -3.480 1.00 0.00 C ATOM 1010 OE1 GLU A 65 8.515 10.413 -2.394 1.00 0.00 O ATOM 1011 OE2 GLU A 65 9.386 11.665 -3.955 1.00 0.00 O ATOM 0 H GLU A 65 7.856 8.716 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 65 8.664 8.397 -4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.912 9.240 -5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.361 9.039 -3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.441 11.147 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.434 11.439 -3.963 1.00 0.00 H new ATOM 1018 N ARG A 66 6.845 6.437 -3.901 1.00 0.00 N ATOM 1019 CA ARG A 66 6.268 5.061 -3.909 1.00 0.00 C ATOM 1020 C ARG A 66 5.089 4.996 -2.931 1.00 0.00 C ATOM 1021 O ARG A 66 5.047 5.725 -1.958 1.00 0.00 O ATOM 1022 CB ARG A 66 7.380 4.063 -3.505 1.00 0.00 C ATOM 1023 CG ARG A 66 7.875 4.352 -2.068 1.00 0.00 C ATOM 1024 CD ARG A 66 8.989 3.357 -1.689 1.00 0.00 C ATOM 1025 NE ARG A 66 8.982 3.186 -0.205 1.00 0.00 N ATOM 1026 CZ ARG A 66 10.008 2.645 0.396 1.00 0.00 C ATOM 1027 NH1 ARG A 66 10.043 1.350 0.546 1.00 0.00 N ATOM 1028 NH2 ARG A 66 10.965 3.418 0.827 1.00 0.00 N ATOM 0 H ARG A 66 6.795 6.915 -3.001 1.00 0.00 H new ATOM 0 HA ARG A 66 5.899 4.803 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.001 3.043 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.213 4.136 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.249 5.374 -2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.046 4.269 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.826 2.399 -2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.958 3.727 -2.024 1.00 0.00 H new ATOM 0 HE ARG A 66 8.176 3.492 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.276 0.775 0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.837 0.912 1.013 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.905 4.427 0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.774 3.014 1.299 1.00 0.00 H new ATOM 1042 N GLY A 67 4.169 4.119 -3.231 1.00 0.00 N ATOM 1043 CA GLY A 67 3.008 3.916 -2.312 1.00 0.00 C ATOM 1044 C GLY A 67 1.942 3.008 -2.921 1.00 0.00 C ATOM 1045 O GLY A 67 2.197 2.268 -3.852 1.00 0.00 O ATOM 0 H GLY A 67 4.169 3.536 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.360 3.483 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.565 4.882 -2.070 1.00 0.00 H new ATOM 1049 N ASP A 68 0.770 3.111 -2.351 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.341 2.164 -2.672 1.00 0.00 C ATOM 1051 C ASP A 68 -1.426 2.952 -3.417 1.00 0.00 C ATOM 1052 O ASP A 68 -1.450 4.169 -3.370 1.00 0.00 O ATOM 1053 CB ASP A 68 -0.914 1.574 -1.361 1.00 0.00 C ATOM 1054 CG ASP A 68 0.179 1.072 -0.373 1.00 0.00 C ATOM 1055 OD1 ASP A 68 1.360 1.102 -0.690 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.257 0.666 0.691 1.00 0.00 O ATOM 0 H ASP A 68 0.531 3.825 -1.663 1.00 0.00 H new ATOM 0 HA ASP A 68 0.018 1.341 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.519 2.333 -0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.579 0.746 -1.605 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.296 2.241 -4.089 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.403 2.915 -4.836 1.00 0.00 C ATOM 1063 C PHE A 69 -4.546 1.933 -5.137 1.00 0.00 C ATOM 1064 O PHE A 69 -4.289 0.759 -5.318 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.834 3.498 -6.152 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.203 2.401 -7.028 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.959 1.872 -6.728 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.879 1.934 -8.139 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.405 0.895 -7.528 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.327 0.959 -8.938 1.00 0.00 C ATOM 1071 CZ PHE A 69 -1.090 0.439 -8.633 1.00 0.00 C ATOM 0 H PHE A 69 -2.288 1.223 -4.153 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.812 3.717 -4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.631 3.994 -6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -2.086 4.257 -5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.419 2.227 -5.862 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.850 2.338 -8.383 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.566 0.487 -7.288 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.864 0.602 -9.804 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.656 -0.326 -9.260 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.769 2.417 -5.185 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.935 1.560 -5.521 1.00 0.00 C ATOM 1083 C PRO A 70 -6.818 0.995 -6.948 1.00 0.00 C ATOM 1084 O PRO A 70 -6.233 1.621 -7.812 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.178 2.437 -5.364 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.687 3.861 -4.986 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.143 3.833 -4.916 1.00 0.00 C ATOM 0 HA PRO A 70 -6.988 0.695 -4.860 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.752 2.461 -6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.836 2.039 -4.591 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.021 4.588 -5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.106 4.166 -4.027 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.703 4.504 -5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.787 4.156 -3.938 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.380 -0.171 -7.144 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.430 -0.781 -8.508 1.00 0.00 C ATOM 1097 C GLY A 71 -8.755 -0.434 -9.205 1.00 0.00 C ATOM 1098 O GLY A 71 -9.412 -1.301 -9.750 1.00 0.00 O ATOM 0 H GLY A 71 -7.811 -0.732 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.593 -0.420 -9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.324 -1.863 -8.433 1.00 0.00 H new ATOM 1102 N THR A 72 -9.104 0.830 -9.165 1.00 0.00 N ATOM 1103 CA THR A 72 -10.314 1.319 -9.904 1.00 0.00 C ATOM 1104 C THR A 72 -10.119 2.760 -10.421 1.00 0.00 C ATOM 1105 O THR A 72 -11.051 3.369 -10.911 1.00 0.00 O ATOM 1106 CB THR A 72 -11.524 1.231 -8.933 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.679 1.383 -9.753 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.560 2.413 -7.919 1.00 0.00 C ATOM 0 H THR A 72 -8.599 1.550 -8.648 1.00 0.00 H new ATOM 0 HA THR A 72 -10.488 0.699 -10.784 1.00 0.00 H new ATOM 0 HB THR A 72 -11.468 0.296 -8.376 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.517 2.083 -10.419 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.424 2.304 -7.264 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.649 2.408 -7.321 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.632 3.356 -8.461 1.00 0.00 H new ATOM 1116 N TYR A 73 -8.915 3.250 -10.290 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.591 4.649 -10.721 1.00 0.00 C ATOM 1118 C TYR A 73 -7.466 4.669 -11.765 1.00 0.00 C ATOM 1119 O TYR A 73 -6.964 5.726 -12.100 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.191 5.456 -9.457 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.379 6.322 -9.015 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -9.673 7.495 -9.683 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -10.169 5.942 -7.948 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -10.740 8.274 -9.291 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -11.235 6.722 -7.554 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.528 7.894 -8.223 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.595 8.674 -7.827 1.00 0.00 O ATOM 0 H TYR A 73 -8.128 2.735 -9.897 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.463 5.099 -11.196 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.901 4.778 -8.654 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.327 6.085 -9.671 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.062 7.804 -10.518 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.950 5.027 -7.418 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.961 9.188 -9.823 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.845 6.415 -6.717 1.00 0.00 H new ATOM 0 HH TYR A 73 -13.040 8.255 -7.061 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.111 3.505 -12.246 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.929 3.357 -13.153 1.00 0.00 C ATOM 1139 C VAL A 74 -6.316 2.508 -14.374 1.00 0.00 C ATOM 1140 O VAL A 74 -7.476 2.204 -14.577 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.779 2.693 -12.344 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.404 3.590 -11.117 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.217 1.265 -11.872 1.00 0.00 C ATOM 0 H VAL A 74 -7.600 2.633 -12.045 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.596 4.328 -13.519 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.900 2.593 -12.981 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.598 3.119 -10.555 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.078 4.569 -11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.275 3.708 -10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.407 0.805 -11.306 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.101 1.346 -11.240 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.448 0.649 -12.741 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.319 2.161 -15.149 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.529 1.246 -16.308 1.00 0.00 C ATOM 1155 C GLU A 75 -4.250 0.447 -16.555 1.00 0.00 C ATOM 1156 O GLU A 75 -3.299 0.945 -17.123 1.00 0.00 O ATOM 1157 CB GLU A 75 -5.894 2.104 -17.522 1.00 0.00 C ATOM 1158 CG GLU A 75 -5.916 1.263 -18.822 1.00 0.00 C ATOM 1159 CD GLU A 75 -6.935 1.868 -19.800 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -6.653 2.959 -20.270 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -7.939 1.210 -20.026 1.00 0.00 O ATOM 0 H GLU A 75 -4.357 2.478 -15.025 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.334 0.537 -16.115 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.871 2.561 -17.366 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.175 2.917 -17.625 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.925 1.247 -19.275 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.180 0.230 -18.596 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.289 -0.782 -16.115 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.226 -1.781 -16.449 1.00 0.00 C ATOM 1170 C TYR A 76 -2.822 -1.664 -17.933 1.00 0.00 C ATOM 1171 O TYR A 76 -3.672 -1.537 -18.796 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.792 -3.193 -16.119 1.00 0.00 C ATOM 1173 CG TYR A 76 -3.042 -4.315 -16.838 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -3.413 -4.660 -18.116 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -2.014 -5.002 -16.219 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -2.773 -5.678 -18.770 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -1.365 -6.025 -16.878 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.751 -6.367 -18.165 1.00 0.00 C ATOM 1179 OH TYR A 76 -1.155 -7.406 -18.846 1.00 0.00 O ATOM 0 H TYR A 76 -5.034 -1.147 -15.521 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.324 -1.599 -15.864 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.739 -3.358 -15.043 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.846 -3.231 -16.396 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.213 -4.125 -18.606 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.718 -4.736 -15.215 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.075 -5.942 -19.773 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.560 -6.557 -16.394 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.402 -7.360 -19.793 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.537 -1.710 -18.173 1.00 0.00 N ATOM 1190 CA ILE A 77 -0.996 -1.559 -19.558 1.00 0.00 C ATOM 1191 C ILE A 77 0.162 -2.540 -19.796 1.00 0.00 C ATOM 1192 O ILE A 77 0.029 -3.455 -20.585 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.513 -0.078 -19.765 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.097 0.554 -18.471 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.696 0.811 -20.215 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.096 1.662 -18.866 1.00 0.00 C ATOM 0 H ILE A 77 -0.827 -1.848 -17.454 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.782 -1.787 -20.278 1.00 0.00 H new ATOM 0 HB ILE A 77 0.265 -0.120 -20.527 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.695 0.968 -17.847 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.600 -0.212 -17.881 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.349 1.835 -20.355 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.099 0.433 -21.154 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.475 0.793 -19.453 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.523 2.105 -17.966 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.893 1.233 -19.473 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.578 2.432 -19.438 1.00 0.00 H new ATOM 1208 N GLY A 78 1.260 -2.330 -19.111 1.00 0.00 N ATOM 1209 CA GLY A 78 2.494 -3.128 -19.380 1.00 0.00 C ATOM 1210 C GLY A 78 2.447 -4.357 -18.486 1.00 0.00 C ATOM 1211 O GLY A 78 1.748 -4.364 -17.491 1.00 0.00 O ATOM 0 H GLY A 78 1.353 -1.634 -18.371 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.541 -3.419 -20.429 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.386 -2.537 -19.172 1.00 0.00 H new ATOM 1215 N ARG A 79 3.187 -5.365 -18.862 1.00 0.00 N ATOM 1216 CA ARG A 79 3.005 -6.692 -18.212 1.00 0.00 C ATOM 1217 C ARG A 79 4.088 -7.677 -18.622 1.00 0.00 C ATOM 1218 O ARG A 79 4.411 -7.819 -19.785 1.00 0.00 O ATOM 1219 CB ARG A 79 1.621 -7.236 -18.584 1.00 0.00 C ATOM 1220 CG ARG A 79 1.488 -7.514 -20.109 1.00 0.00 C ATOM 1221 CD ARG A 79 1.376 -9.032 -20.308 1.00 0.00 C ATOM 1222 NE ARG A 79 1.231 -9.305 -21.767 1.00 0.00 N ATOM 1223 CZ ARG A 79 1.651 -10.440 -22.258 1.00 0.00 C ATOM 1224 NH1 ARG A 79 1.079 -11.548 -21.875 1.00 0.00 N ATOM 1225 NH2 ARG A 79 2.632 -10.427 -23.117 1.00 0.00 N ATOM 0 H ARG A 79 3.904 -5.327 -19.586 1.00 0.00 H new ATOM 0 HA ARG A 79 3.083 -6.565 -17.132 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.434 -8.157 -18.031 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.857 -6.520 -18.279 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.609 -7.011 -20.512 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.353 -7.123 -20.644 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.261 -9.533 -19.914 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.518 -9.424 -19.762 1.00 0.00 H new ATOM 0 HE ARG A 79 0.806 -8.608 -22.379 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.314 -11.520 -21.201 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.396 -12.442 -22.250 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.056 -9.542 -23.393 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.975 -11.302 -23.513 1.00 0.00 H new