USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 429 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 36 ASN : amide:sc= -2.46! K(o=-4!,f=-4.8) USER MOD Set 1.2: A 39 THR OG1 : rot -170:sc= -1.52! USER MOD Set 2.1: A 27 GLN : amide:sc= -0.889 X(o=-0.16,f=-0.6!) USER MOD Set 2.2: A 31 ASN : amide:sc= 0.729 X(o=-0.16,f=-0.44) USER MOD Set 3.1: A 11 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0) USER MOD Set 3.2: A 47 TYR OH : rot 179:sc= 1.08 USER MOD Single : A 7 SER OG : rot 29:sc= 0.236 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 21 SER OG : rot -92:sc= 1.17 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.74) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0156) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= -0.016 (180deg=-0.2) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.81) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 5.428 3.950 -0.270 1.00 0.00 N ATOM 106 CA SER A 7 6.635 3.971 0.537 1.00 0.00 C ATOM 107 C SER A 7 7.235 2.574 0.629 1.00 0.00 C ATOM 108 O SER A 7 6.704 1.624 0.042 1.00 0.00 O ATOM 109 CB SER A 7 6.311 4.502 1.935 1.00 0.00 C ATOM 110 OG SER A 7 5.564 5.706 1.859 1.00 0.00 O ATOM 0 HA SER A 7 7.365 4.629 0.066 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.746 3.753 2.491 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.236 4.677 2.485 1.00 0.00 H new ATOM 0 HG SER A 7 5.032 5.709 1.036 1.00 0.00 H new ATOM 116 N GLU A 8 8.341 2.454 1.361 1.00 0.00 N ATOM 117 CA GLU A 8 8.950 1.157 1.643 1.00 0.00 C ATOM 118 C GLU A 8 7.919 0.200 2.236 1.00 0.00 C ATOM 119 O GLU A 8 7.960 -1.004 1.997 1.00 0.00 O ATOM 120 CB GLU A 8 10.130 1.322 2.608 1.00 0.00 C ATOM 121 CG GLU A 8 9.782 2.097 3.873 1.00 0.00 C ATOM 122 CD GLU A 8 10.952 2.232 4.822 1.00 0.00 C ATOM 123 OE1 GLU A 8 12.059 2.579 4.363 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.764 2.015 6.037 1.00 0.00 O ATOM 0 H GLU A 8 8.836 3.246 1.772 1.00 0.00 H new ATOM 0 HA GLU A 8 9.317 0.738 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.501 0.336 2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.942 1.833 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.427 3.090 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.961 1.596 4.386 1.00 0.00 H new ATOM 131 N GLU A 9 6.989 0.766 2.996 1.00 0.00 N ATOM 132 CA GLU A 9 5.899 0.017 3.601 1.00 0.00 C ATOM 133 C GLU A 9 5.104 -0.753 2.549 1.00 0.00 C ATOM 134 O GLU A 9 4.938 -1.967 2.652 1.00 0.00 O ATOM 135 CB GLU A 9 4.986 0.995 4.341 1.00 0.00 C ATOM 136 CG GLU A 9 3.690 0.387 4.839 1.00 0.00 C ATOM 137 CD GLU A 9 2.824 1.409 5.543 1.00 0.00 C ATOM 138 OE1 GLU A 9 2.096 2.154 4.852 1.00 0.00 O ATOM 139 OE2 GLU A 9 2.876 1.479 6.789 1.00 0.00 O ATOM 0 H GLU A 9 6.972 1.763 3.210 1.00 0.00 H new ATOM 0 HA GLU A 9 6.312 -0.713 4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.529 1.408 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.751 1.827 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.141 -0.037 3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.912 -0.433 5.522 1.00 0.00 H new ATOM 146 N PHE A 10 4.643 -0.042 1.527 1.00 0.00 N ATOM 147 CA PHE A 10 3.805 -0.638 0.494 1.00 0.00 C ATOM 148 C PHE A 10 4.599 -1.645 -0.334 1.00 0.00 C ATOM 149 O PHE A 10 4.110 -2.733 -0.638 1.00 0.00 O ATOM 150 CB PHE A 10 3.221 0.455 -0.410 1.00 0.00 C ATOM 151 CG PHE A 10 2.129 -0.032 -1.316 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.891 -0.381 -0.798 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.334 -0.133 -2.680 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.120 -0.823 -1.627 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.326 -0.573 -3.513 1.00 0.00 C ATOM 156 CZ PHE A 10 0.098 -0.919 -2.986 1.00 0.00 C ATOM 0 H PHE A 10 4.836 0.950 1.391 1.00 0.00 H new ATOM 0 HA PHE A 10 2.985 -1.168 0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.832 1.260 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.022 0.879 -1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.716 -0.306 0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.293 0.135 -3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.080 -1.093 -1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.498 -0.647 -4.577 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.691 -1.265 -3.637 1.00 0.00 H new ATOM 166 N LYS A 11 5.826 -1.276 -0.682 1.00 0.00 N ATOM 167 CA LYS A 11 6.709 -2.154 -1.441 1.00 0.00 C ATOM 168 C LYS A 11 6.968 -3.454 -0.677 1.00 0.00 C ATOM 169 O LYS A 11 6.911 -4.543 -1.244 1.00 0.00 O ATOM 170 CB LYS A 11 8.039 -1.444 -1.725 1.00 0.00 C ATOM 171 CG LYS A 11 7.896 -0.165 -2.537 1.00 0.00 C ATOM 172 CD LYS A 11 9.231 0.549 -2.681 1.00 0.00 C ATOM 173 CE LYS A 11 9.121 1.783 -3.561 1.00 0.00 C ATOM 174 NZ LYS A 11 10.428 2.485 -3.702 1.00 0.00 N ATOM 0 H LYS A 11 6.234 -0.370 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 11 6.222 -2.397 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.523 -1.208 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.698 -2.129 -2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.499 -0.401 -3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.177 0.497 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.597 0.837 -1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.965 -0.136 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.756 1.494 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.386 2.467 -3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.424 3.055 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.578 3.107 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.195 1.784 -3.751 1.00 0.00 H new ATOM 188 N ARG A 12 7.235 -3.325 0.615 1.00 0.00 N ATOM 189 CA ARG A 12 7.513 -4.470 1.477 1.00 0.00 C ATOM 190 C ARG A 12 6.272 -5.346 1.617 1.00 0.00 C ATOM 191 O ARG A 12 6.340 -6.573 1.503 1.00 0.00 O ATOM 192 CB ARG A 12 7.953 -3.967 2.852 1.00 0.00 C ATOM 193 CG ARG A 12 8.485 -5.038 3.789 1.00 0.00 C ATOM 194 CD ARG A 12 8.737 -4.447 5.164 1.00 0.00 C ATOM 195 NE ARG A 12 9.463 -5.353 6.052 1.00 0.00 N ATOM 196 CZ ARG A 12 9.489 -5.216 7.380 1.00 0.00 C ATOM 197 NH1 ARG A 12 8.712 -4.317 7.969 1.00 0.00 N ATOM 198 NH2 ARG A 12 10.272 -5.990 8.121 1.00 0.00 N ATOM 0 H ARG A 12 7.266 -2.426 1.096 1.00 0.00 H new ATOM 0 HA ARG A 12 8.308 -5.068 1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.725 -3.210 2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.106 -3.476 3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.769 -5.857 3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.409 -5.456 3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.303 -3.521 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.783 -4.186 5.622 1.00 0.00 H new ATOM 0 HE ARG A 12 9.976 -6.130 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.095 -3.730 7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.732 -4.212 8.983 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.859 -6.696 7.677 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.286 -5.879 9.135 1.00 0.00 H new ATOM 212 N ASP A 13 5.138 -4.699 1.852 1.00 0.00 N ATOM 213 CA ASP A 13 3.869 -5.394 2.047 1.00 0.00 C ATOM 214 C ASP A 13 3.476 -6.160 0.790 1.00 0.00 C ATOM 215 O ASP A 13 2.973 -7.279 0.864 1.00 0.00 O ATOM 216 CB ASP A 13 2.775 -4.384 2.406 1.00 0.00 C ATOM 217 CG ASP A 13 1.511 -5.026 2.946 1.00 0.00 C ATOM 218 OD1 ASP A 13 0.688 -5.515 2.147 1.00 0.00 O ATOM 219 OD2 ASP A 13 1.317 -5.014 4.180 1.00 0.00 O ATOM 0 H ASP A 13 5.070 -3.683 1.913 1.00 0.00 H new ATOM 0 HA ASP A 13 3.985 -6.107 2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.165 -3.687 3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.526 -3.800 1.520 1.00 0.00 H new ATOM 224 N ALA A 14 3.728 -5.551 -0.365 1.00 0.00 N ATOM 225 CA ALA A 14 3.421 -6.168 -1.649 1.00 0.00 C ATOM 226 C ALA A 14 4.178 -7.486 -1.829 1.00 0.00 C ATOM 227 O ALA A 14 3.612 -8.480 -2.292 1.00 0.00 O ATOM 228 CB ALA A 14 3.751 -5.204 -2.779 1.00 0.00 C ATOM 0 H ALA A 14 4.147 -4.624 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 14 2.355 -6.394 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.519 -5.672 -3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.160 -4.295 -2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.811 -4.953 -2.745 1.00 0.00 H new ATOM 234 N VAL A 15 5.450 -7.493 -1.435 1.00 0.00 N ATOM 235 CA VAL A 15 6.279 -8.689 -1.540 1.00 0.00 C ATOM 236 C VAL A 15 5.761 -9.773 -0.595 1.00 0.00 C ATOM 237 O VAL A 15 5.700 -10.950 -0.954 1.00 0.00 O ATOM 238 CB VAL A 15 7.759 -8.386 -1.215 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.608 -9.642 -1.352 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.293 -7.282 -2.120 1.00 0.00 C ATOM 0 H VAL A 15 5.928 -6.683 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 15 6.221 -9.040 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 15 7.816 -8.043 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.646 -9.406 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.245 -10.404 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.541 -10.016 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.336 -7.084 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.218 -7.597 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.707 -6.375 -1.972 1.00 0.00 H new ATOM 250 N ALA A 16 5.358 -9.362 0.604 1.00 0.00 N ATOM 251 CA ALA A 16 4.830 -10.293 1.593 1.00 0.00 C ATOM 252 C ALA A 16 3.492 -10.873 1.134 1.00 0.00 C ATOM 253 O ALA A 16 3.218 -12.059 1.323 1.00 0.00 O ATOM 254 CB ALA A 16 4.681 -9.606 2.944 1.00 0.00 C ATOM 0 H ALA A 16 5.387 -8.390 0.913 1.00 0.00 H new ATOM 0 HA ALA A 16 5.537 -11.116 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.286 -10.315 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.654 -9.247 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.996 -8.763 2.850 1.00 0.00 H new ATOM 260 N LEU A 17 2.667 -10.030 0.517 1.00 0.00 N ATOM 261 CA LEU A 17 1.359 -10.447 0.018 1.00 0.00 C ATOM 262 C LEU A 17 1.528 -11.490 -1.087 1.00 0.00 C ATOM 263 O LEU A 17 0.742 -12.429 -1.194 1.00 0.00 O ATOM 264 CB LEU A 17 0.587 -9.213 -0.497 1.00 0.00 C ATOM 265 CG LEU A 17 -0.946 -9.327 -0.568 1.00 0.00 C ATOM 266 CD1 LEU A 17 -1.387 -10.245 -1.694 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.506 -9.810 0.760 1.00 0.00 C ATOM 0 H LEU A 17 2.884 -9.047 0.350 1.00 0.00 H new ATOM 0 HA LEU A 17 0.787 -10.902 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.834 -8.367 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.955 -8.975 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.341 -8.333 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.475 -10.301 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.027 -9.853 -2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.975 -11.241 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.591 -9.885 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.089 -10.789 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.240 -9.103 1.546 1.00 0.00 H new ATOM 279 N TYR A 18 2.584 -11.342 -1.879 1.00 0.00 N ATOM 280 CA TYR A 18 2.831 -12.232 -3.009 1.00 0.00 C ATOM 281 C TYR A 18 3.070 -13.671 -2.548 1.00 0.00 C ATOM 282 O TYR A 18 2.823 -14.622 -3.294 1.00 0.00 O ATOM 283 CB TYR A 18 4.024 -11.738 -3.825 1.00 0.00 C ATOM 284 CG TYR A 18 4.240 -12.508 -5.109 1.00 0.00 C ATOM 285 CD1 TYR A 18 3.389 -12.340 -6.193 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.295 -13.401 -5.233 1.00 0.00 C ATOM 287 CE1 TYR A 18 3.582 -13.044 -7.365 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.496 -14.107 -6.403 1.00 0.00 C ATOM 289 CZ TYR A 18 4.639 -13.924 -7.465 1.00 0.00 C ATOM 290 OH TYR A 18 4.836 -14.618 -8.639 1.00 0.00 O ATOM 0 H TYR A 18 3.286 -10.611 -1.759 1.00 0.00 H new ATOM 0 HA TYR A 18 1.940 -12.223 -3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.879 -10.684 -4.063 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.924 -11.806 -3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.563 -11.648 -6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.969 -13.546 -4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.909 -12.906 -8.198 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.321 -14.799 -6.484 1.00 0.00 H new ATOM 0 HH TYR A 18 5.622 -15.196 -8.549 1.00 0.00 H new ATOM 300 N GLU A 19 3.538 -13.833 -1.318 1.00 0.00 N ATOM 301 CA GLU A 19 3.771 -15.162 -0.764 1.00 0.00 C ATOM 302 C GLU A 19 2.441 -15.851 -0.465 1.00 0.00 C ATOM 303 O GLU A 19 2.369 -17.073 -0.341 1.00 0.00 O ATOM 304 CB GLU A 19 4.616 -15.079 0.506 1.00 0.00 C ATOM 305 CG GLU A 19 5.933 -14.341 0.321 1.00 0.00 C ATOM 306 CD GLU A 19 6.854 -14.484 1.516 1.00 0.00 C ATOM 307 OE1 GLU A 19 6.460 -14.092 2.634 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.975 -15.004 1.343 1.00 0.00 O ATOM 0 H GLU A 19 3.763 -13.065 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 19 4.316 -15.749 -1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.037 -14.581 1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.823 -16.089 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.436 -14.721 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.732 -13.284 0.147 1.00 0.00 H new ATOM 315 N ASN A 20 1.389 -15.052 -0.377 1.00 0.00 N ATOM 316 CA ASN A 20 0.056 -15.545 -0.067 1.00 0.00 C ATOM 317 C ASN A 20 -0.745 -15.751 -1.346 1.00 0.00 C ATOM 318 O ASN A 20 -1.973 -15.838 -1.322 1.00 0.00 O ATOM 319 CB ASN A 20 -0.662 -14.551 0.852 1.00 0.00 C ATOM 320 CG ASN A 20 -0.023 -14.452 2.225 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.403 -15.165 3.153 1.00 0.00 O ATOM 322 ND2 ASN A 20 0.957 -13.570 2.365 1.00 0.00 N ATOM 0 H ASN A 20 1.435 -14.043 -0.519 1.00 0.00 H new ATOM 0 HA ASN A 20 0.144 -16.504 0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.662 -13.566 0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.704 -14.852 0.962 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.424 -13.465 3.266 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.244 -12.997 1.572 1.00 0.00 H new ATOM 329 N SER A 21 -0.030 -15.869 -2.457 1.00 0.00 N ATOM 330 CA SER A 21 -0.643 -15.997 -3.772 1.00 0.00 C ATOM 331 C SER A 21 -1.469 -17.272 -3.911 1.00 0.00 C ATOM 332 O SER A 21 -2.262 -17.410 -4.846 1.00 0.00 O ATOM 333 CB SER A 21 0.437 -15.956 -4.838 1.00 0.00 C ATOM 334 OG SER A 21 1.555 -16.740 -4.452 1.00 0.00 O ATOM 0 H SER A 21 0.990 -15.879 -2.472 1.00 0.00 H new ATOM 0 HA SER A 21 -1.329 -15.160 -3.899 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.037 -16.325 -5.782 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.750 -14.925 -5.006 1.00 0.00 H new ATOM 0 HG SER A 21 2.205 -16.175 -3.985 1.00 0.00 H new ATOM 340 N ASP A 22 -1.271 -18.199 -2.981 1.00 0.00 N ATOM 341 CA ASP A 22 -2.056 -19.435 -2.935 1.00 0.00 C ATOM 342 C ASP A 22 -3.546 -19.121 -2.904 1.00 0.00 C ATOM 343 O ASP A 22 -4.363 -19.854 -3.465 1.00 0.00 O ATOM 344 CB ASP A 22 -1.676 -20.273 -1.711 1.00 0.00 C ATOM 345 CG ASP A 22 -2.467 -21.566 -1.628 1.00 0.00 C ATOM 346 OD1 ASP A 22 -2.083 -22.540 -2.305 1.00 0.00 O ATOM 347 OD2 ASP A 22 -3.475 -21.612 -0.888 1.00 0.00 O ATOM 0 H ASP A 22 -0.571 -18.121 -2.243 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.834 -20.009 -3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.611 -20.503 -1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.845 -19.688 -0.807 1.00 0.00 H new ATOM 352 N GLY A 23 -3.886 -18.012 -2.263 1.00 0.00 N ATOM 353 CA GLY A 23 -5.271 -17.596 -2.179 1.00 0.00 C ATOM 354 C GLY A 23 -5.488 -16.219 -2.773 1.00 0.00 C ATOM 355 O GLY A 23 -6.494 -15.563 -2.497 1.00 0.00 O ATOM 0 H GLY A 23 -3.224 -17.391 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.899 -18.319 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.586 -17.594 -1.136 1.00 0.00 H new ATOM 359 N ALA A 24 -4.540 -15.781 -3.597 1.00 0.00 N ATOM 360 CA ALA A 24 -4.618 -14.477 -4.240 1.00 0.00 C ATOM 361 C ALA A 24 -3.725 -14.441 -5.472 1.00 0.00 C ATOM 362 O ALA A 24 -2.507 -14.329 -5.362 1.00 0.00 O ATOM 363 CB ALA A 24 -4.226 -13.375 -3.268 1.00 0.00 C ATOM 0 H ALA A 24 -3.705 -16.316 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.649 -14.308 -4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.291 -12.409 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.902 -13.387 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.204 -13.538 -2.926 1.00 0.00 H new ATOM 369 N SER A 25 -4.331 -14.578 -6.639 1.00 0.00 N ATOM 370 CA SER A 25 -3.586 -14.564 -7.886 1.00 0.00 C ATOM 371 C SER A 25 -2.950 -13.196 -8.125 1.00 0.00 C ATOM 372 O SER A 25 -3.492 -12.175 -7.711 1.00 0.00 O ATOM 373 CB SER A 25 -4.510 -14.940 -9.042 1.00 0.00 C ATOM 374 OG SER A 25 -5.097 -16.211 -8.821 1.00 0.00 O ATOM 0 H SER A 25 -5.338 -14.700 -6.749 1.00 0.00 H new ATOM 0 HA SER A 25 -2.782 -15.297 -7.823 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.291 -14.187 -9.150 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.947 -14.951 -9.975 1.00 0.00 H new ATOM 0 HG SER A 25 -5.687 -16.434 -9.571 1.00 0.00 H new ATOM 380 N LEU A 26 -1.802 -13.196 -8.798 1.00 0.00 N ATOM 381 CA LEU A 26 -1.032 -11.974 -9.054 1.00 0.00 C ATOM 382 C LEU A 26 -1.919 -10.896 -9.683 1.00 0.00 C ATOM 383 O LEU A 26 -1.884 -9.732 -9.286 1.00 0.00 O ATOM 384 CB LEU A 26 0.157 -12.304 -9.975 1.00 0.00 C ATOM 385 CG LEU A 26 1.364 -11.358 -9.897 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.542 -11.952 -10.649 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.033 -9.984 -10.461 1.00 0.00 C ATOM 0 H LEU A 26 -1.377 -14.040 -9.182 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.656 -11.585 -8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.498 -13.313 -9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.201 -12.317 -11.004 1.00 0.00 H new ATOM 0 HG LEU A 26 1.625 -11.238 -8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.393 -11.273 -10.587 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.810 -12.911 -10.206 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.270 -12.099 -11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.910 -9.341 -10.390 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.738 -10.081 -11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.214 -9.545 -9.892 1.00 0.00 H new ATOM 399 N GLN A 27 -2.722 -11.310 -10.656 1.00 0.00 N ATOM 400 CA GLN A 27 -3.657 -10.419 -11.344 1.00 0.00 C ATOM 401 C GLN A 27 -4.642 -9.804 -10.344 1.00 0.00 C ATOM 402 O GLN A 27 -4.990 -8.628 -10.441 1.00 0.00 O ATOM 403 CB GLN A 27 -4.388 -11.230 -12.429 1.00 0.00 C ATOM 404 CG GLN A 27 -5.179 -10.419 -13.450 1.00 0.00 C ATOM 405 CD GLN A 27 -6.544 -9.985 -12.952 1.00 0.00 C ATOM 406 OE1 GLN A 27 -7.134 -10.624 -12.082 1.00 0.00 O ATOM 407 NE2 GLN A 27 -7.070 -8.918 -13.531 1.00 0.00 N ATOM 0 H GLN A 27 -2.746 -12.273 -10.993 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.120 -9.595 -11.813 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.652 -11.831 -12.963 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.070 -11.924 -11.938 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.603 -9.535 -13.725 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.303 -11.012 -14.356 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.546 -8.417 -14.249 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.999 -8.597 -13.260 1.00 0.00 H new ATOM 416 N GLN A 28 -5.055 -10.600 -9.367 1.00 0.00 N ATOM 417 CA GLN A 28 -5.972 -10.141 -8.333 1.00 0.00 C ATOM 418 C GLN A 28 -5.238 -9.246 -7.333 1.00 0.00 C ATOM 419 O GLN A 28 -5.787 -8.252 -6.870 1.00 0.00 O ATOM 420 CB GLN A 28 -6.603 -11.340 -7.617 1.00 0.00 C ATOM 421 CG GLN A 28 -7.657 -10.964 -6.586 1.00 0.00 C ATOM 422 CD GLN A 28 -8.827 -10.209 -7.189 1.00 0.00 C ATOM 423 OE1 GLN A 28 -9.166 -10.389 -8.357 1.00 0.00 O ATOM 424 NE2 GLN A 28 -9.460 -9.362 -6.393 1.00 0.00 N ATOM 0 H GLN A 28 -4.767 -11.574 -9.269 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.766 -9.558 -8.800 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.055 -11.996 -8.360 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.816 -11.911 -7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.025 -11.869 -6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.197 -10.352 -5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.150 -9.239 -5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.258 -8.832 -6.743 1.00 0.00 H new ATOM 433 N ILE A 29 -3.993 -9.602 -7.016 1.00 0.00 N ATOM 434 CA ILE A 29 -3.162 -8.801 -6.119 1.00 0.00 C ATOM 435 C ILE A 29 -2.996 -7.389 -6.675 1.00 0.00 C ATOM 436 O ILE A 29 -3.216 -6.402 -5.971 1.00 0.00 O ATOM 437 CB ILE A 29 -1.766 -9.440 -5.925 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.894 -10.844 -5.330 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.889 -8.565 -5.036 1.00 0.00 C ATOM 440 CD1 ILE A 29 -0.573 -11.576 -5.211 1.00 0.00 C ATOM 0 H ILE A 29 -3.537 -10.443 -7.369 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.664 -8.760 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.292 -9.520 -6.903 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.349 -10.771 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.571 -11.432 -5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.087 -9.034 -4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.766 -7.585 -5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.361 -8.449 -4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.742 -12.564 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.125 -11.682 -6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.100 -11.010 -4.566 1.00 0.00 H new ATOM 452 N ALA A 30 -2.630 -7.304 -7.949 1.00 0.00 N ATOM 453 CA ALA A 30 -2.447 -6.018 -8.611 1.00 0.00 C ATOM 454 C ALA A 30 -3.739 -5.209 -8.599 1.00 0.00 C ATOM 455 O ALA A 30 -3.719 -3.997 -8.386 1.00 0.00 O ATOM 456 CB ALA A 30 -1.954 -6.229 -10.034 1.00 0.00 C ATOM 0 H ALA A 30 -2.454 -8.113 -8.545 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.696 -5.450 -8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.820 -5.262 -10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.002 -6.760 -10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.686 -6.816 -10.589 1.00 0.00 H new ATOM 462 N ASN A 31 -4.862 -5.890 -8.808 1.00 0.00 N ATOM 463 CA ASN A 31 -6.172 -5.241 -8.793 1.00 0.00 C ATOM 464 C ASN A 31 -6.587 -4.819 -7.384 1.00 0.00 C ATOM 465 O ASN A 31 -7.232 -3.785 -7.203 1.00 0.00 O ATOM 466 CB ASN A 31 -7.227 -6.175 -9.383 1.00 0.00 C ATOM 467 CG ASN A 31 -7.391 -5.995 -10.874 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.182 -5.174 -11.333 1.00 0.00 O ATOM 469 ND2 ASN A 31 -6.642 -6.757 -11.646 1.00 0.00 N ATOM 0 H ASN A 31 -4.892 -6.893 -8.990 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.095 -4.340 -9.401 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.951 -7.208 -9.173 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.183 -5.995 -8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.708 -6.676 -12.661 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.996 -7.428 -11.229 1.00 0.00 H new ATOM 476 N ASP A 32 -6.219 -5.620 -6.394 1.00 0.00 N ATOM 477 CA ASP A 32 -6.580 -5.343 -5.006 1.00 0.00 C ATOM 478 C ASP A 32 -5.795 -4.152 -4.474 1.00 0.00 C ATOM 479 O ASP A 32 -6.359 -3.241 -3.860 1.00 0.00 O ATOM 480 CB ASP A 32 -6.315 -6.568 -4.127 1.00 0.00 C ATOM 481 CG ASP A 32 -6.861 -6.401 -2.725 1.00 0.00 C ATOM 482 OD1 ASP A 32 -6.167 -5.806 -1.874 1.00 0.00 O ATOM 483 OD2 ASP A 32 -7.987 -6.873 -2.464 1.00 0.00 O ATOM 0 H ASP A 32 -5.669 -6.469 -6.524 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.644 -5.107 -4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.766 -7.447 -4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.242 -6.750 -4.077 1.00 0.00 H new ATOM 488 N LEU A 33 -4.494 -4.163 -4.720 1.00 0.00 N ATOM 489 CA LEU A 33 -3.613 -3.102 -4.253 1.00 0.00 C ATOM 490 C LEU A 33 -3.752 -1.855 -5.123 1.00 0.00 C ATOM 491 O LEU A 33 -3.593 -0.730 -4.648 1.00 0.00 O ATOM 492 CB LEU A 33 -2.155 -3.581 -4.246 1.00 0.00 C ATOM 493 CG LEU A 33 -1.722 -4.404 -3.023 1.00 0.00 C ATOM 494 CD1 LEU A 33 -2.501 -5.707 -2.926 1.00 0.00 C ATOM 495 CD2 LEU A 33 -0.228 -4.688 -3.078 1.00 0.00 C ATOM 0 H LEU A 33 -4.022 -4.900 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.905 -2.844 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.986 -4.180 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.506 -2.708 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.940 -3.815 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.170 -6.265 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.565 -5.489 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.327 -6.303 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.064 -5.272 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.003 -5.249 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.321 -3.747 -3.085 1.00 0.00 H new ATOM 507 N GLY A 34 -4.064 -2.060 -6.391 1.00 0.00 N ATOM 508 CA GLY A 34 -4.177 -0.949 -7.311 1.00 0.00 C ATOM 509 C GLY A 34 -2.836 -0.583 -7.910 1.00 0.00 C ATOM 510 O GLY A 34 -2.411 0.574 -7.854 1.00 0.00 O ATOM 0 H GLY A 34 -4.241 -2.977 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.874 -1.206 -8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.592 -0.086 -6.791 1.00 0.00 H new ATOM 514 N ILE A 35 -2.158 -1.581 -8.462 1.00 0.00 N ATOM 515 CA ILE A 35 -0.847 -1.393 -9.061 1.00 0.00 C ATOM 516 C ILE A 35 -0.731 -2.188 -10.354 1.00 0.00 C ATOM 517 O ILE A 35 -1.648 -2.921 -10.727 1.00 0.00 O ATOM 518 CB ILE A 35 0.286 -1.823 -8.108 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.003 -3.211 -7.537 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.468 -0.801 -6.994 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.108 -3.732 -6.645 1.00 0.00 C ATOM 0 H ILE A 35 -2.502 -2.540 -8.506 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.743 -0.328 -9.268 1.00 0.00 H new ATOM 0 HB ILE A 35 1.216 -1.871 -8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.927 -3.179 -6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.149 -3.910 -8.360 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.272 -1.123 -6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.720 0.167 -7.426 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.457 -0.715 -6.425 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.840 -4.722 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.035 -3.796 -7.214 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.245 -3.054 -5.802 1.00 0.00 H new ATOM 533 N ASN A 36 0.395 -2.022 -11.038 1.00 0.00 N ATOM 534 CA ASN A 36 0.673 -2.743 -12.265 1.00 0.00 C ATOM 535 C ASN A 36 1.289 -4.102 -11.948 1.00 0.00 C ATOM 536 O ASN A 36 2.070 -4.230 -11.004 1.00 0.00 O ATOM 537 CB ASN A 36 1.623 -1.901 -13.122 1.00 0.00 C ATOM 538 CG ASN A 36 2.115 -2.602 -14.369 1.00 0.00 C ATOM 539 OD1 ASN A 36 1.442 -3.460 -14.938 1.00 0.00 O ATOM 540 ND2 ASN A 36 3.307 -2.239 -14.795 1.00 0.00 N ATOM 0 H ASN A 36 1.138 -1.383 -10.754 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.252 -2.916 -12.815 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.115 -0.981 -13.412 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.483 -1.613 -12.517 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.706 -2.674 -15.627 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.832 -1.523 -14.293 1.00 0.00 H new ATOM 547 N ARG A 37 0.938 -5.107 -12.742 1.00 0.00 N ATOM 548 CA ARG A 37 1.452 -6.459 -12.564 1.00 0.00 C ATOM 549 C ARG A 37 2.975 -6.471 -12.654 1.00 0.00 C ATOM 550 O ARG A 37 3.650 -7.185 -11.911 1.00 0.00 O ATOM 551 CB ARG A 37 0.843 -7.389 -13.621 1.00 0.00 C ATOM 552 CG ARG A 37 1.473 -8.772 -13.677 1.00 0.00 C ATOM 553 CD ARG A 37 0.838 -9.626 -14.760 1.00 0.00 C ATOM 554 NE ARG A 37 1.424 -10.964 -14.821 1.00 0.00 N ATOM 555 CZ ARG A 37 0.965 -11.941 -15.600 1.00 0.00 C ATOM 556 NH1 ARG A 37 -0.081 -11.729 -16.390 1.00 0.00 N ATOM 557 NH2 ARG A 37 1.563 -13.123 -15.587 1.00 0.00 N ATOM 0 H ARG A 37 0.291 -5.008 -13.525 1.00 0.00 H new ATOM 0 HA ARG A 37 1.169 -6.816 -11.574 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.223 -7.496 -13.422 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.939 -6.919 -14.600 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.543 -8.679 -13.865 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.361 -9.264 -12.711 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.233 -9.708 -14.575 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.958 -9.134 -15.725 1.00 0.00 H new ATOM 0 HE ARG A 37 2.233 -11.161 -14.231 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.535 -10.816 -16.401 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.430 -12.479 -16.986 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.370 -13.280 -14.983 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.217 -13.876 -16.181 1.00 0.00 H new ATOM 571 N VAL A 38 3.509 -5.653 -13.551 1.00 0.00 N ATOM 572 CA VAL A 38 4.951 -5.557 -13.730 1.00 0.00 C ATOM 573 C VAL A 38 5.594 -4.865 -12.531 1.00 0.00 C ATOM 574 O VAL A 38 6.590 -5.340 -11.993 1.00 0.00 O ATOM 575 CB VAL A 38 5.322 -4.794 -15.020 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.833 -4.718 -15.190 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.686 -5.455 -16.231 1.00 0.00 C ATOM 0 H VAL A 38 2.966 -5.047 -14.166 1.00 0.00 H new ATOM 0 HA VAL A 38 5.331 -6.575 -13.814 1.00 0.00 H new ATOM 0 HB VAL A 38 4.937 -3.778 -14.935 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.069 -4.176 -16.106 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.269 -4.198 -14.337 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.244 -5.726 -15.249 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.958 -4.904 -17.131 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.041 -6.482 -16.313 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.602 -5.454 -16.119 1.00 0.00 H new ATOM 587 N THR A 39 5.000 -3.751 -12.106 1.00 0.00 N ATOM 588 CA THR A 39 5.528 -2.969 -10.993 1.00 0.00 C ATOM 589 C THR A 39 5.597 -3.799 -9.710 1.00 0.00 C ATOM 590 O THR A 39 6.539 -3.668 -8.927 1.00 0.00 O ATOM 591 CB THR A 39 4.668 -1.713 -10.755 1.00 0.00 C ATOM 592 OG1 THR A 39 4.485 -1.028 -11.999 1.00 0.00 O ATOM 593 CG2 THR A 39 5.322 -0.774 -9.751 1.00 0.00 C ATOM 0 H THR A 39 4.149 -3.370 -12.519 1.00 0.00 H new ATOM 0 HA THR A 39 6.540 -2.664 -11.260 1.00 0.00 H new ATOM 0 HB THR A 39 3.706 -2.026 -10.348 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.077 -0.152 -11.833 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.689 0.102 -9.606 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.450 -1.290 -8.800 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.296 -0.460 -10.127 1.00 0.00 H new ATOM 601 N LEU A 40 4.601 -4.656 -9.509 1.00 0.00 N ATOM 602 CA LEU A 40 4.582 -5.557 -8.364 1.00 0.00 C ATOM 603 C LEU A 40 5.796 -6.482 -8.394 1.00 0.00 C ATOM 604 O LEU A 40 6.527 -6.598 -7.410 1.00 0.00 O ATOM 605 CB LEU A 40 3.295 -6.387 -8.373 1.00 0.00 C ATOM 606 CG LEU A 40 3.178 -7.433 -7.259 1.00 0.00 C ATOM 607 CD1 LEU A 40 3.152 -6.772 -5.891 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.935 -8.289 -7.457 1.00 0.00 C ATOM 0 H LEU A 40 3.794 -4.745 -10.127 1.00 0.00 H new ATOM 0 HA LEU A 40 4.618 -4.962 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.445 -5.708 -8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.217 -6.895 -9.334 1.00 0.00 H new ATOM 0 HG LEU A 40 4.056 -8.077 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.068 -7.537 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.072 -6.206 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.297 -6.099 -5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.869 -9.026 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.049 -7.654 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.995 -8.801 -8.417 1.00 0.00 H new ATOM 620 N LYS A 41 6.010 -7.118 -9.540 1.00 0.00 N ATOM 621 CA LYS A 41 7.105 -8.065 -9.710 1.00 0.00 C ATOM 622 C LYS A 41 8.449 -7.370 -9.516 1.00 0.00 C ATOM 623 O LYS A 41 9.360 -7.920 -8.898 1.00 0.00 O ATOM 624 CB LYS A 41 7.031 -8.697 -11.101 1.00 0.00 C ATOM 625 CG LYS A 41 7.831 -9.980 -11.241 1.00 0.00 C ATOM 626 CD LYS A 41 7.629 -10.599 -12.613 1.00 0.00 C ATOM 627 CE LYS A 41 8.278 -11.969 -12.724 1.00 0.00 C ATOM 628 NZ LYS A 41 9.751 -11.912 -12.542 1.00 0.00 N ATOM 0 H LYS A 41 5.434 -6.993 -10.372 1.00 0.00 H new ATOM 0 HA LYS A 41 7.013 -8.848 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.988 -8.904 -11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.389 -7.976 -11.836 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.889 -9.772 -11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.527 -10.688 -10.470 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.562 -10.686 -12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.046 -9.938 -13.373 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.847 -12.634 -11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.051 -12.398 -13.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.156 -12.858 -12.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.160 -11.246 -13.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.969 -11.592 -11.577 1.00 0.00 H new ATOM 642 N ASN A 42 8.551 -6.157 -10.047 1.00 0.00 N ATOM 643 CA ASN A 42 9.762 -5.343 -9.915 1.00 0.00 C ATOM 644 C ASN A 42 10.162 -5.172 -8.453 1.00 0.00 C ATOM 645 O ASN A 42 11.330 -5.352 -8.096 1.00 0.00 O ATOM 646 CB ASN A 42 9.558 -3.965 -10.552 1.00 0.00 C ATOM 647 CG ASN A 42 9.707 -3.977 -12.063 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.473 -4.991 -12.719 1.00 0.00 O ATOM 649 ND2 ASN A 42 10.083 -2.836 -12.626 1.00 0.00 N ATOM 0 H ASN A 42 7.804 -5.709 -10.578 1.00 0.00 H new ATOM 0 HA ASN A 42 10.564 -5.867 -10.435 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.565 -3.596 -10.294 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.278 -3.265 -10.128 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.188 -2.777 -13.639 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.267 -2.018 -12.046 1.00 0.00 H new ATOM 656 N TRP A 43 9.195 -4.829 -7.610 1.00 0.00 N ATOM 657 CA TRP A 43 9.456 -4.652 -6.187 1.00 0.00 C ATOM 658 C TRP A 43 9.907 -5.961 -5.551 1.00 0.00 C ATOM 659 O TRP A 43 10.828 -5.980 -4.734 1.00 0.00 O ATOM 660 CB TRP A 43 8.220 -4.111 -5.459 1.00 0.00 C ATOM 661 CG TRP A 43 7.897 -2.686 -5.803 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.763 -1.741 -6.271 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.623 -2.041 -5.691 1.00 0.00 C ATOM 664 NE1 TRP A 43 8.105 -0.551 -6.464 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.790 -0.709 -6.113 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.358 -2.459 -5.272 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.734 0.204 -6.138 1.00 0.00 C ATOM 668 CZ3 TRP A 43 4.314 -1.555 -5.295 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.507 -0.235 -5.721 1.00 0.00 C ATOM 0 H TRP A 43 8.226 -4.668 -7.886 1.00 0.00 H new ATOM 0 HA TRP A 43 10.259 -3.921 -6.089 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.362 -4.738 -5.701 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.378 -4.190 -4.383 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.813 -1.905 -6.462 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.527 0.310 -6.812 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.199 -3.473 -4.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.880 1.220 -6.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.331 -1.872 -4.979 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.672 0.449 -5.720 1.00 0.00 H new ATOM 680 N ILE A 44 9.265 -7.053 -5.946 1.00 0.00 N ATOM 681 CA ILE A 44 9.593 -8.373 -5.422 1.00 0.00 C ATOM 682 C ILE A 44 11.042 -8.739 -5.743 1.00 0.00 C ATOM 683 O ILE A 44 11.772 -9.240 -4.888 1.00 0.00 O ATOM 684 CB ILE A 44 8.654 -9.447 -6.007 1.00 0.00 C ATOM 685 CG1 ILE A 44 7.195 -9.099 -5.702 1.00 0.00 C ATOM 686 CG2 ILE A 44 9.001 -10.823 -5.448 1.00 0.00 C ATOM 687 CD1 ILE A 44 6.204 -9.965 -6.441 1.00 0.00 C ATOM 0 H ILE A 44 8.510 -7.050 -6.632 1.00 0.00 H new ATOM 0 HA ILE A 44 9.463 -8.338 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 44 8.788 -9.472 -7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.023 -9.196 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.017 -8.055 -5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.328 -11.568 -5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.029 -11.073 -5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.894 -10.813 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.190 -9.664 -6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.350 -9.849 -7.515 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.356 -11.008 -6.165 1.00 0.00 H new ATOM 699 N ILE A 45 11.457 -8.467 -6.974 1.00 0.00 N ATOM 700 CA ILE A 45 12.810 -8.792 -7.418 1.00 0.00 C ATOM 701 C ILE A 45 13.861 -8.010 -6.633 1.00 0.00 C ATOM 702 O ILE A 45 14.863 -8.573 -6.189 1.00 0.00 O ATOM 703 CB ILE A 45 13.001 -8.506 -8.926 1.00 0.00 C ATOM 704 CG1 ILE A 45 12.018 -9.337 -9.750 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.433 -8.803 -9.355 1.00 0.00 C ATOM 706 CD1 ILE A 45 12.071 -9.050 -11.235 1.00 0.00 C ATOM 0 H ILE A 45 10.876 -8.022 -7.685 1.00 0.00 H new ATOM 0 HA ILE A 45 12.943 -9.858 -7.236 1.00 0.00 H new ATOM 0 HB ILE A 45 12.803 -7.449 -9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.224 -10.395 -9.586 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.007 -9.150 -9.389 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.545 -8.595 -10.419 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.120 -8.175 -8.788 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.660 -9.852 -9.165 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.346 -9.677 -11.753 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.835 -8.001 -11.411 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.071 -9.265 -11.612 1.00 0.00 H new ATOM 718 N LYS A 46 13.624 -6.719 -6.455 1.00 0.00 N ATOM 719 CA LYS A 46 14.616 -5.849 -5.839 1.00 0.00 C ATOM 720 C LYS A 46 14.563 -5.919 -4.313 1.00 0.00 C ATOM 721 O LYS A 46 15.564 -6.213 -3.663 1.00 0.00 O ATOM 722 CB LYS A 46 14.418 -4.401 -6.297 1.00 0.00 C ATOM 723 CG LYS A 46 15.570 -3.489 -5.905 1.00 0.00 C ATOM 724 CD LYS A 46 15.303 -2.038 -6.273 1.00 0.00 C ATOM 725 CE LYS A 46 16.513 -1.166 -5.983 1.00 0.00 C ATOM 726 NZ LYS A 46 17.654 -1.484 -6.882 1.00 0.00 N ATOM 0 H LYS A 46 12.759 -6.252 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 46 15.597 -6.200 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.300 -4.382 -7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.494 -4.014 -5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.742 -3.564 -4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.482 -3.826 -6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.047 -1.969 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.444 -1.670 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.241 -0.117 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.819 -1.303 -4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.365 -0.728 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.083 -2.386 -6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.313 -1.561 -7.862 1.00 0.00 H new ATOM 740 N TYR A 47 13.388 -5.671 -3.746 1.00 0.00 N ATOM 741 CA TYR A 47 13.254 -5.554 -2.298 1.00 0.00 C ATOM 742 C TYR A 47 13.189 -6.924 -1.637 1.00 0.00 C ATOM 743 O TYR A 47 13.525 -7.069 -0.462 1.00 0.00 O ATOM 744 CB TYR A 47 12.031 -4.710 -1.942 1.00 0.00 C ATOM 745 CG TYR A 47 12.114 -3.309 -2.506 1.00 0.00 C ATOM 746 CD1 TYR A 47 12.856 -2.323 -1.867 1.00 0.00 C ATOM 747 CD2 TYR A 47 11.464 -2.978 -3.687 1.00 0.00 C ATOM 748 CE1 TYR A 47 12.946 -1.047 -2.392 1.00 0.00 C ATOM 749 CE2 TYR A 47 11.553 -1.707 -4.219 1.00 0.00 C ATOM 750 CZ TYR A 47 12.292 -0.747 -3.568 1.00 0.00 C ATOM 751 OH TYR A 47 12.384 0.519 -4.101 1.00 0.00 O ATOM 0 H TYR A 47 12.518 -5.547 -4.264 1.00 0.00 H new ATOM 0 HA TYR A 47 14.141 -5.049 -1.914 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.133 -5.199 -2.320 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.932 -4.657 -0.858 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.370 -2.557 -0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.879 -3.728 -4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.525 -0.290 -1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.045 -1.468 -5.142 1.00 0.00 H new ATOM 0 HH TYR A 47 11.879 0.558 -4.940 1.00 0.00 H new ATOM 761 N GLY A 48 12.765 -7.927 -2.395 1.00 0.00 N ATOM 762 CA GLY A 48 12.825 -9.290 -1.910 1.00 0.00 C ATOM 763 C GLY A 48 14.259 -9.774 -1.813 1.00 0.00 C ATOM 764 O GLY A 48 14.577 -10.674 -1.038 1.00 0.00 O ATOM 0 H GLY A 48 12.382 -7.821 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.350 -9.352 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.263 -9.942 -2.578 1.00 0.00 H new ATOM 928 N ALA A 61 31.216 -20.297 -12.186 1.00 0.00 N ATOM 929 CA ALA A 61 31.030 -19.893 -13.580 1.00 0.00 C ATOM 930 C ALA A 61 32.232 -19.147 -14.145 1.00 0.00 C ATOM 931 O ALA A 61 32.269 -18.837 -15.331 1.00 0.00 O ATOM 932 CB ALA A 61 29.772 -19.049 -13.723 1.00 0.00 C ATOM 0 HA ALA A 61 30.923 -20.809 -14.161 1.00 0.00 H new ATOM 0 HB1 ALA A 61 29.647 -18.756 -14.765 1.00 0.00 H new ATOM 0 HB2 ALA A 61 28.906 -19.629 -13.403 1.00 0.00 H new ATOM 0 HB3 ALA A 61 29.860 -18.157 -13.103 1.00 0.00 H new ATOM 938 N VAL A 62 33.207 -18.870 -13.306 1.00 0.00 N ATOM 939 CA VAL A 62 34.438 -18.239 -13.763 1.00 0.00 C ATOM 940 C VAL A 62 35.397 -19.288 -14.304 1.00 0.00 C ATOM 941 O VAL A 62 35.824 -19.229 -15.458 1.00 0.00 O ATOM 942 CB VAL A 62 35.134 -17.435 -12.643 1.00 0.00 C ATOM 943 CG1 VAL A 62 36.455 -16.855 -13.137 1.00 0.00 C ATOM 944 CG2 VAL A 62 34.224 -16.324 -12.140 1.00 0.00 C ATOM 0 H VAL A 62 33.177 -19.069 -12.306 1.00 0.00 H new ATOM 0 HA VAL A 62 34.164 -17.541 -14.554 1.00 0.00 H new ATOM 0 HB VAL A 62 35.344 -18.114 -11.816 1.00 0.00 H new ATOM 0 HG11 VAL A 62 36.929 -16.292 -12.333 1.00 0.00 H new ATOM 0 HG12 VAL A 62 37.114 -17.665 -13.450 1.00 0.00 H new ATOM 0 HG13 VAL A 62 36.268 -16.192 -13.982 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.731 -15.768 -11.351 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.984 -15.650 -12.962 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.305 -16.757 -11.746 1.00 0.00 H new ATOM 954 N SER A 63 35.693 -20.266 -13.467 1.00 0.00 N ATOM 955 CA SER A 63 36.671 -21.295 -13.787 1.00 0.00 C ATOM 956 C SER A 63 36.097 -22.351 -14.728 1.00 0.00 C ATOM 957 O SER A 63 36.795 -22.849 -15.615 1.00 0.00 O ATOM 958 CB SER A 63 37.151 -21.956 -12.494 1.00 0.00 C ATOM 959 OG SER A 63 37.523 -20.977 -11.539 1.00 0.00 O ATOM 0 H SER A 63 35.264 -20.371 -12.547 1.00 0.00 H new ATOM 0 HA SER A 63 37.508 -20.820 -14.299 1.00 0.00 H new ATOM 0 HB2 SER A 63 36.361 -22.586 -12.087 1.00 0.00 H new ATOM 0 HB3 SER A 63 38.000 -22.606 -12.705 1.00 0.00 H new ATOM 0 HG SER A 63 37.826 -21.419 -10.718 1.00 0.00 H new ATOM 965 N GLU A 64 34.829 -22.689 -14.535 1.00 0.00 N ATOM 966 CA GLU A 64 34.193 -23.751 -15.309 1.00 0.00 C ATOM 967 C GLU A 64 33.984 -23.320 -16.756 1.00 0.00 C ATOM 968 O GLU A 64 34.092 -24.124 -17.681 1.00 0.00 O ATOM 969 CB GLU A 64 32.849 -24.124 -14.680 1.00 0.00 C ATOM 970 CG GLU A 64 32.434 -25.564 -14.935 1.00 0.00 C ATOM 971 CD GLU A 64 33.260 -26.551 -14.135 1.00 0.00 C ATOM 972 OE1 GLU A 64 34.333 -26.966 -14.613 1.00 0.00 O ATOM 973 OE2 GLU A 64 32.842 -26.908 -13.014 1.00 0.00 O ATOM 0 H GLU A 64 34.219 -22.244 -13.849 1.00 0.00 H new ATOM 0 HA GLU A 64 34.851 -24.620 -15.300 1.00 0.00 H new ATOM 0 HB2 GLU A 64 32.902 -23.955 -13.604 1.00 0.00 H new ATOM 0 HB3 GLU A 64 32.078 -23.459 -15.069 1.00 0.00 H new ATOM 0 HG2 GLU A 64 31.381 -25.686 -14.682 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.535 -25.786 -15.997 1.00 0.00 H new ATOM 980 N ALA A 65 33.713 -22.036 -16.936 1.00 0.00 N ATOM 981 CA ALA A 65 33.418 -21.476 -18.255 1.00 0.00 C ATOM 982 C ALA A 65 34.580 -21.659 -19.220 1.00 0.00 C ATOM 983 O ALA A 65 34.385 -21.681 -20.435 1.00 0.00 O ATOM 984 CB ALA A 65 33.064 -20.003 -18.139 1.00 0.00 C ATOM 0 H ALA A 65 33.690 -21.353 -16.179 1.00 0.00 H new ATOM 0 HA ALA A 65 32.563 -22.020 -18.656 1.00 0.00 H new ATOM 0 HB1 ALA A 65 32.847 -19.602 -19.129 1.00 0.00 H new ATOM 0 HB2 ALA A 65 32.187 -19.889 -17.501 1.00 0.00 H new ATOM 0 HB3 ALA A 65 33.903 -19.460 -17.703 1.00 0.00 H new ATOM 990 N GLU A 66 35.784 -21.803 -18.676 1.00 0.00 N ATOM 991 CA GLU A 66 36.986 -21.964 -19.486 1.00 0.00 C ATOM 992 C GLU A 66 36.856 -23.174 -20.408 1.00 0.00 C ATOM 993 O GLU A 66 37.011 -23.064 -21.628 1.00 0.00 O ATOM 994 CB GLU A 66 38.200 -22.133 -18.567 1.00 0.00 C ATOM 995 CG GLU A 66 39.535 -22.222 -19.292 1.00 0.00 C ATOM 996 CD GLU A 66 39.845 -20.980 -20.098 1.00 0.00 C ATOM 997 OE1 GLU A 66 39.954 -19.889 -19.501 1.00 0.00 O ATOM 998 OE2 GLU A 66 39.992 -21.092 -21.329 1.00 0.00 O ATOM 0 H GLU A 66 35.953 -21.811 -17.670 1.00 0.00 H new ATOM 0 HA GLU A 66 37.117 -21.076 -20.104 1.00 0.00 H new ATOM 0 HB2 GLU A 66 38.234 -21.293 -17.873 1.00 0.00 H new ATOM 0 HB3 GLU A 66 38.065 -23.035 -17.970 1.00 0.00 H new ATOM 0 HG2 GLU A 66 40.329 -22.385 -18.564 1.00 0.00 H new ATOM 0 HG3 GLU A 66 39.527 -23.088 -19.954 1.00 0.00 H new ATOM 1005 N GLN A 67 36.546 -24.318 -19.819 1.00 0.00 N ATOM 1006 CA GLN A 67 36.417 -25.554 -20.575 1.00 0.00 C ATOM 1007 C GLN A 67 35.058 -25.644 -21.268 1.00 0.00 C ATOM 1008 O GLN A 67 34.956 -26.183 -22.370 1.00 0.00 O ATOM 1009 CB GLN A 67 36.649 -26.761 -19.661 1.00 0.00 C ATOM 1010 CG GLN A 67 35.733 -26.806 -18.450 1.00 0.00 C ATOM 1011 CD GLN A 67 36.162 -27.844 -17.436 1.00 0.00 C ATOM 1012 OE1 GLN A 67 35.746 -29.002 -17.499 1.00 0.00 O ATOM 1013 NE2 GLN A 67 37.004 -27.442 -16.498 1.00 0.00 N ATOM 0 H GLN A 67 36.379 -24.417 -18.818 1.00 0.00 H new ATOM 0 HA GLN A 67 37.180 -25.557 -21.354 1.00 0.00 H new ATOM 0 HB2 GLN A 67 36.513 -27.674 -20.241 1.00 0.00 H new ATOM 0 HB3 GLN A 67 37.684 -26.752 -19.320 1.00 0.00 H new ATOM 0 HG2 GLN A 67 35.715 -25.825 -17.975 1.00 0.00 H new ATOM 0 HG3 GLN A 67 34.715 -27.021 -18.776 1.00 0.00 H new ATOM 0 HE21 GLN A 67 37.324 -26.474 -16.481 1.00 0.00 H new ATOM 0 HE22 GLN A 67 37.333 -28.100 -15.792 1.00 0.00 H new ATOM 1022 N ILE A 68 34.023 -25.099 -20.633 1.00 0.00 N ATOM 1023 CA ILE A 68 32.670 -25.159 -21.186 1.00 0.00 C ATOM 1024 C ILE A 68 32.575 -24.396 -22.505 1.00 0.00 C ATOM 1025 O ILE A 68 32.018 -24.900 -23.484 1.00 0.00 O ATOM 1026 CB ILE A 68 31.620 -24.605 -20.195 1.00 0.00 C ATOM 1027 CG1 ILE A 68 31.537 -25.494 -18.952 1.00 0.00 C ATOM 1028 CG2 ILE A 68 30.253 -24.492 -20.858 1.00 0.00 C ATOM 1029 CD1 ILE A 68 30.537 -25.014 -17.922 1.00 0.00 C ATOM 0 H ILE A 68 34.093 -24.613 -19.739 1.00 0.00 H new ATOM 0 HA ILE A 68 32.455 -26.212 -21.367 1.00 0.00 H new ATOM 0 HB ILE A 68 31.935 -23.607 -19.891 1.00 0.00 H new ATOM 0 HG12 ILE A 68 31.272 -26.506 -19.258 1.00 0.00 H new ATOM 0 HG13 ILE A 68 32.523 -25.549 -18.490 1.00 0.00 H new ATOM 0 HG21 ILE A 68 29.532 -24.100 -20.141 1.00 0.00 H new ATOM 0 HG22 ILE A 68 30.318 -23.818 -21.712 1.00 0.00 H new ATOM 0 HG23 ILE A 68 29.930 -25.477 -21.196 1.00 0.00 H new ATOM 0 HD11 ILE A 68 30.536 -25.695 -17.071 1.00 0.00 H new ATOM 0 HD12 ILE A 68 30.812 -24.014 -17.586 1.00 0.00 H new ATOM 0 HD13 ILE A 68 29.542 -24.986 -18.366 1.00 0.00 H new ATOM 1041 N ARG A 69 33.133 -23.190 -22.538 1.00 0.00 N ATOM 1042 CA ARG A 69 33.067 -22.355 -23.734 1.00 0.00 C ATOM 1043 C ARG A 69 33.786 -23.000 -24.910 1.00 0.00 C ATOM 1044 O ARG A 69 33.351 -22.879 -26.049 1.00 0.00 O ATOM 1045 CB ARG A 69 33.638 -20.963 -23.458 1.00 0.00 C ATOM 1046 CG ARG A 69 32.610 -19.996 -22.891 1.00 0.00 C ATOM 1047 CD ARG A 69 31.820 -19.292 -23.991 1.00 0.00 C ATOM 1048 NE ARG A 69 31.428 -20.192 -25.083 1.00 0.00 N ATOM 1049 CZ ARG A 69 30.163 -20.479 -25.405 1.00 0.00 C ATOM 1050 NH1 ARG A 69 29.157 -20.001 -24.676 1.00 0.00 N ATOM 1051 NH2 ARG A 69 29.914 -21.254 -26.457 1.00 0.00 N ATOM 0 H ARG A 69 33.634 -22.770 -21.755 1.00 0.00 H new ATOM 0 HA ARG A 69 32.015 -22.254 -24.002 1.00 0.00 H new ATOM 0 HB2 ARG A 69 34.470 -21.050 -22.759 1.00 0.00 H new ATOM 0 HB3 ARG A 69 34.042 -20.553 -24.384 1.00 0.00 H new ATOM 0 HG2 ARG A 69 31.923 -20.537 -22.241 1.00 0.00 H new ATOM 0 HG3 ARG A 69 33.114 -19.252 -22.274 1.00 0.00 H new ATOM 0 HD2 ARG A 69 30.925 -18.844 -23.558 1.00 0.00 H new ATOM 0 HD3 ARG A 69 32.420 -18.477 -24.397 1.00 0.00 H new ATOM 0 HE ARG A 69 32.170 -20.627 -25.632 1.00 0.00 H new ATOM 0 HH11 ARG A 69 29.349 -19.412 -23.866 1.00 0.00 H new ATOM 0 HH12 ARG A 69 28.194 -20.224 -24.927 1.00 0.00 H new ATOM 0 HH21 ARG A 69 30.686 -21.625 -27.011 1.00 0.00 H new ATOM 0 HH22 ARG A 69 28.951 -21.478 -26.709 1.00 0.00 H new ATOM 1065 N GLN A 70 34.874 -23.693 -24.628 1.00 0.00 N ATOM 1066 CA GLN A 70 35.623 -24.378 -25.639 1.00 0.00 C ATOM 1067 C GLN A 70 34.909 -25.645 -26.088 1.00 0.00 C ATOM 1068 O GLN A 70 34.953 -26.022 -27.258 1.00 0.00 O ATOM 1069 CB GLN A 70 36.984 -24.706 -25.064 1.00 0.00 C ATOM 1070 CG GLN A 70 37.914 -23.510 -24.997 1.00 0.00 C ATOM 1071 CD GLN A 70 38.066 -22.818 -26.338 1.00 0.00 C ATOM 1072 OE1 GLN A 70 37.294 -21.924 -26.679 1.00 0.00 O ATOM 1073 NE2 GLN A 70 39.073 -23.213 -27.102 1.00 0.00 N ATOM 0 H GLN A 70 35.255 -23.791 -23.687 1.00 0.00 H new ATOM 0 HA GLN A 70 35.726 -23.743 -26.519 1.00 0.00 H new ATOM 0 HB2 GLN A 70 36.858 -25.115 -24.062 1.00 0.00 H new ATOM 0 HB3 GLN A 70 37.448 -25.484 -25.670 1.00 0.00 H new ATOM 0 HG2 GLN A 70 37.533 -22.798 -24.265 1.00 0.00 H new ATOM 0 HG3 GLN A 70 38.894 -23.834 -24.646 1.00 0.00 H new ATOM 0 HE21 GLN A 70 39.692 -23.958 -26.784 1.00 0.00 H new ATOM 0 HE22 GLN A 70 39.229 -22.772 -28.008 1.00 0.00 H new ATOM 1082 N LEU A 71 34.250 -26.290 -25.139 1.00 0.00 N ATOM 1083 CA LEU A 71 33.522 -27.521 -25.399 1.00 0.00 C ATOM 1084 C LEU A 71 32.326 -27.258 -26.317 1.00 0.00 C ATOM 1085 O LEU A 71 32.093 -27.997 -27.272 1.00 0.00 O ATOM 1086 CB LEU A 71 33.064 -28.131 -24.066 1.00 0.00 C ATOM 1087 CG LEU A 71 32.613 -29.597 -24.100 1.00 0.00 C ATOM 1088 CD1 LEU A 71 32.666 -30.189 -22.702 1.00 0.00 C ATOM 1089 CD2 LEU A 71 31.203 -29.725 -24.653 1.00 0.00 C ATOM 0 H LEU A 71 34.205 -25.976 -24.170 1.00 0.00 H new ATOM 0 HA LEU A 71 34.179 -28.227 -25.907 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.883 -28.043 -23.352 1.00 0.00 H new ATOM 0 HB3 LEU A 71 32.240 -27.530 -23.682 1.00 0.00 H new ATOM 0 HG LEU A 71 33.292 -30.143 -24.756 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.344 -31.230 -22.735 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.687 -30.137 -22.323 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.005 -29.626 -22.043 1.00 0.00 H new ATOM 0 HD21 LEU A 71 30.911 -30.775 -24.665 1.00 0.00 H new ATOM 0 HD22 LEU A 71 30.513 -29.163 -24.023 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.173 -29.328 -25.668 1.00 0.00 H new ATOM 1101 N LYS A 72 31.571 -26.201 -26.026 1.00 0.00 N ATOM 1102 CA LYS A 72 30.403 -25.851 -26.832 1.00 0.00 C ATOM 1103 C LYS A 72 30.806 -24.965 -28.005 1.00 0.00 C ATOM 1104 O LYS A 72 29.985 -24.632 -28.862 1.00 0.00 O ATOM 1105 CB LYS A 72 29.358 -25.139 -25.971 1.00 0.00 C ATOM 1106 CG LYS A 72 28.846 -25.985 -24.815 1.00 0.00 C ATOM 1107 CD LYS A 72 28.199 -27.276 -25.302 1.00 0.00 C ATOM 1108 CE LYS A 72 27.735 -28.141 -24.142 1.00 0.00 C ATOM 1109 NZ LYS A 72 27.134 -29.416 -24.612 1.00 0.00 N ATOM 0 H LYS A 72 31.746 -25.574 -25.241 1.00 0.00 H new ATOM 0 HA LYS A 72 29.970 -26.771 -27.225 1.00 0.00 H new ATOM 0 HB2 LYS A 72 29.790 -24.220 -25.575 1.00 0.00 H new ATOM 0 HB3 LYS A 72 28.516 -24.850 -26.600 1.00 0.00 H new ATOM 0 HG2 LYS A 72 29.672 -26.223 -24.145 1.00 0.00 H new ATOM 0 HG3 LYS A 72 28.122 -25.411 -24.237 1.00 0.00 H new ATOM 0 HD2 LYS A 72 27.349 -27.039 -25.942 1.00 0.00 H new ATOM 0 HD3 LYS A 72 28.911 -27.834 -25.910 1.00 0.00 H new ATOM 0 HE2 LYS A 72 28.580 -28.357 -23.488 1.00 0.00 H new ATOM 0 HE3 LYS A 72 27.004 -27.592 -23.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 26.829 -29.979 -23.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 26.312 -29.211 -25.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 27.839 -29.952 -25.157 1.00 0.00 H new