USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 632 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: B 11 LYS NZ :NH3+ -163:sc= -0.241 (180deg=-0.659!) USER MOD Set 1.2: B 19 TYR OH : rot 130:sc= -0.387 USER MOD Set 2.1: A 42 LYS NZ :NH3+ -115:sc= -0.3 (180deg=-2.91!) USER MOD Set 2.2: A 46 MET CE :methyl -136:sc= -0.741 (180deg=-3.38!) USER MOD Set 2.3: A 79 HIS : no HE2:sc= 0.269 K(o=-0.77,f=-3.3) USER MOD Set 3.1: A 20 GLN :FLIP amide:sc= -5.07! C(o=-5.7!,f=-5.1!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.014 F(o=-5.7,f=-5.1) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 137:sc= -1.42 (180deg=-4.69!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.1!) USER MOD Single : A 23 MET CE :methyl -140:sc= -3.99! (180deg=-8.92!) USER MOD Single : A 33 GLN : amide:sc= -0.863 K(o=-0.86,f=-4.7!) USER MOD Single : A 35 MET CE :methyl -165:sc= -1.82 (180deg=-2.51!) USER MOD Single : A 36 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-3.7!) USER MOD Single : A 38 THR OG1 : rot 132:sc= -0.728 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.7 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 92:sc=0.000804 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -121:sc= -1.9! (180deg=-5.35!) USER MOD Single : A 77 GLN : amide:sc= -0.0937 X(o=-0.094,f=-0.075) USER MOD Single : B 5 ASN : amide:sc= 0.00163 X(o=0.0016,f=0) USER MOD Single : B 7 ASN :FLIP amide:sc= -1.89 F(o=-5.7!,f=-1.9) USER MOD Single : B 9 ASN : amide:sc= -0.011 K(o=-0.011,f=-0.76) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -8.850 -6.324 -5.852 1.00 0.00 N ATOM 95 CA THR A 8 -9.427 -5.304 -4.988 1.00 0.00 C ATOM 96 C THR A 8 -10.373 -4.415 -5.779 1.00 0.00 C ATOM 97 O THR A 8 -11.353 -3.907 -5.238 1.00 0.00 O ATOM 98 CB THR A 8 -8.322 -4.460 -4.348 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.878 -3.412 -3.573 1.00 0.00 O ATOM 100 CG2 THR A 8 -7.383 -3.837 -5.357 1.00 0.00 C ATOM 0 HA THR A 8 -9.991 -5.799 -4.197 1.00 0.00 H new ATOM 0 HB THR A 8 -7.753 -5.152 -3.727 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.157 -2.884 -3.171 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.625 -3.253 -4.836 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.900 -4.623 -5.938 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.947 -3.186 -6.025 1.00 0.00 H new ATOM 108 N ALA A 9 -10.088 -4.250 -7.068 1.00 0.00 N ATOM 109 CA ALA A 9 -10.958 -3.475 -7.940 1.00 0.00 C ATOM 110 C ALA A 9 -12.347 -4.093 -7.948 1.00 0.00 C ATOM 111 O ALA A 9 -13.358 -3.388 -7.956 1.00 0.00 O ATOM 112 CB ALA A 9 -10.388 -3.411 -9.349 1.00 0.00 C ATOM 0 H ALA A 9 -9.266 -4.641 -7.527 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.025 -2.455 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.054 -2.827 -9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.405 -2.940 -9.323 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.296 -4.420 -9.750 1.00 0.00 H new ATOM 118 N SER A 10 -12.383 -5.421 -7.904 1.00 0.00 N ATOM 119 CA SER A 10 -13.640 -6.148 -7.841 1.00 0.00 C ATOM 120 C SER A 10 -14.283 -5.937 -6.478 1.00 0.00 C ATOM 121 O SER A 10 -15.502 -5.804 -6.370 1.00 0.00 O ATOM 122 CB SER A 10 -13.412 -7.640 -8.093 1.00 0.00 C ATOM 123 OG SER A 10 -14.641 -8.327 -8.247 1.00 0.00 O ATOM 0 H SER A 10 -11.553 -6.014 -7.911 1.00 0.00 H new ATOM 0 HA SER A 10 -14.306 -5.769 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.804 -7.772 -8.988 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.853 -8.071 -7.262 1.00 0.00 H new ATOM 0 HG SER A 10 -14.466 -9.278 -8.408 1.00 0.00 H new ATOM 129 N MET A 11 -13.447 -5.857 -5.441 1.00 0.00 N ATOM 130 CA MET A 11 -13.942 -5.607 -4.093 1.00 0.00 C ATOM 131 C MET A 11 -14.579 -4.230 -4.017 1.00 0.00 C ATOM 132 O MET A 11 -15.564 -4.031 -3.311 1.00 0.00 O ATOM 133 CB MET A 11 -12.814 -5.700 -3.064 1.00 0.00 C ATOM 134 CG MET A 11 -11.990 -6.972 -3.171 1.00 0.00 C ATOM 135 SD MET A 11 -11.481 -7.607 -1.562 1.00 0.00 S ATOM 136 CE MET A 11 -10.145 -6.484 -1.161 1.00 0.00 C ATOM 0 H MET A 11 -12.435 -5.961 -5.511 1.00 0.00 H new ATOM 0 HA MET A 11 -14.686 -6.370 -3.864 1.00 0.00 H new ATOM 0 HB2 MET A 11 -12.155 -4.840 -3.183 1.00 0.00 H new ATOM 0 HB3 MET A 11 -13.242 -5.638 -2.063 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.571 -7.734 -3.691 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.105 -6.777 -3.777 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.221 -6.186 -0.115 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.189 -6.981 -1.328 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.210 -5.600 -1.795 1.00 0.00 H new ATOM 146 N LEU A 12 -14.006 -3.281 -4.755 1.00 0.00 N ATOM 147 CA LEU A 12 -14.525 -1.923 -4.792 1.00 0.00 C ATOM 148 C LEU A 12 -16.008 -1.944 -5.132 1.00 0.00 C ATOM 149 O LEU A 12 -16.828 -1.345 -4.436 1.00 0.00 O ATOM 150 CB LEU A 12 -13.759 -1.099 -5.830 1.00 0.00 C ATOM 151 CG LEU A 12 -12.247 -0.992 -5.603 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.634 -0.002 -6.580 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.939 -0.587 -4.169 1.00 0.00 C ATOM 0 H LEU A 12 -13.181 -3.432 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.394 -1.465 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.931 -1.536 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.178 -0.093 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.806 -1.973 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.560 0.063 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.817 -0.338 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.085 0.980 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.860 -0.518 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.393 0.381 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.343 -1.334 -3.485 1.00 0.00 H new ATOM 165 N ALA A 13 -16.342 -2.663 -6.196 1.00 0.00 N ATOM 166 CA ALA A 13 -17.726 -2.812 -6.618 1.00 0.00 C ATOM 167 C ALA A 13 -18.529 -3.597 -5.583 1.00 0.00 C ATOM 168 O ALA A 13 -19.741 -3.419 -5.457 1.00 0.00 O ATOM 169 CB ALA A 13 -17.788 -3.500 -7.974 1.00 0.00 C ATOM 0 H ALA A 13 -15.668 -3.154 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 13 -18.168 -1.820 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.829 -3.607 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.252 -2.901 -8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.328 -4.486 -7.903 1.00 0.00 H new ATOM 175 N SER A 14 -17.846 -4.481 -4.858 1.00 0.00 N ATOM 176 CA SER A 14 -18.496 -5.320 -3.856 1.00 0.00 C ATOM 177 C SER A 14 -18.263 -4.800 -2.438 1.00 0.00 C ATOM 178 O SER A 14 -18.371 -5.553 -1.469 1.00 0.00 O ATOM 179 CB SER A 14 -17.990 -6.760 -3.969 1.00 0.00 C ATOM 180 OG SER A 14 -18.899 -7.564 -4.700 1.00 0.00 O ATOM 0 H SER A 14 -16.841 -4.634 -4.947 1.00 0.00 H new ATOM 0 HA SER A 14 -19.568 -5.290 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.016 -6.769 -4.459 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.849 -7.179 -2.972 1.00 0.00 H new ATOM 0 HG SER A 14 -18.552 -8.479 -4.759 1.00 0.00 H new ATOM 186 N ALA A 15 -17.982 -3.506 -2.314 1.00 0.00 N ATOM 187 CA ALA A 15 -17.753 -2.897 -1.008 1.00 0.00 C ATOM 188 C ALA A 15 -18.515 -1.575 -0.882 1.00 0.00 C ATOM 189 O ALA A 15 -17.911 -0.518 -0.690 1.00 0.00 O ATOM 190 CB ALA A 15 -16.265 -2.677 -0.785 1.00 0.00 C ATOM 0 H ALA A 15 -17.908 -2.860 -3.100 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.126 -3.577 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.107 -2.222 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.745 -3.634 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.875 -2.017 -1.560 1.00 0.00 H new ATOM 241 N GLU A 19 -16.141 0.274 3.436 1.00 0.00 N ATOM 242 CA GLU A 19 -15.193 -0.819 3.332 1.00 0.00 C ATOM 243 C GLU A 19 -13.843 -0.327 2.831 1.00 0.00 C ATOM 244 O GLU A 19 -12.950 -1.129 2.560 1.00 0.00 O ATOM 245 CB GLU A 19 -15.736 -1.867 2.362 1.00 0.00 C ATOM 246 CG GLU A 19 -16.462 -3.023 3.027 1.00 0.00 C ATOM 247 CD GLU A 19 -15.605 -3.757 4.040 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.408 -3.222 5.152 1.00 0.00 O ATOM 249 OE2 GLU A 19 -15.141 -4.873 3.726 1.00 0.00 O ATOM 0 HA GLU A 19 -15.058 -1.253 4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.417 -1.380 1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.908 -2.264 1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.357 -2.646 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.792 -3.726 2.262 1.00 0.00 H new ATOM 256 N GLN A 20 -13.708 0.990 2.689 1.00 0.00 N ATOM 257 CA GLN A 20 -12.477 1.580 2.174 1.00 0.00 C ATOM 258 C GLN A 20 -11.246 0.985 2.855 1.00 0.00 C ATOM 259 O GLN A 20 -10.375 0.422 2.196 1.00 0.00 O ATOM 260 CB GLN A 20 -12.491 3.105 2.344 1.00 0.00 C ATOM 261 CG GLN A 20 -12.788 3.570 3.760 1.00 0.00 C ATOM 262 CD GLN A 20 -11.528 3.938 4.521 1.00 0.00 C ATOM 263 OE1 GLN A 20 -11.560 3.766 5.836 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -10.536 4.364 3.931 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.435 1.666 2.923 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.422 1.346 1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.523 3.503 2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.237 3.528 1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.454 4.432 3.725 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.316 2.781 4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.556 4.481 2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.693 4.601 4.455 1.00 0.00 H new ATOM 273 N LYS A 21 -11.203 1.073 4.179 1.00 0.00 N ATOM 274 CA LYS A 21 -10.073 0.559 4.943 1.00 0.00 C ATOM 275 C LYS A 21 -9.834 -0.917 4.647 1.00 0.00 C ATOM 276 O LYS A 21 -8.708 -1.402 4.738 1.00 0.00 O ATOM 277 CB LYS A 21 -10.318 0.753 6.444 1.00 0.00 C ATOM 278 CG LYS A 21 -11.792 0.830 6.818 1.00 0.00 C ATOM 279 CD LYS A 21 -12.099 0.025 8.069 1.00 0.00 C ATOM 280 CE LYS A 21 -12.343 -1.440 7.745 1.00 0.00 C ATOM 281 NZ LYS A 21 -13.629 -1.929 8.316 1.00 0.00 N ATOM 0 H LYS A 21 -11.938 1.496 4.746 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.185 1.117 4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.857 -0.071 6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.821 1.667 6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.073 1.871 6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.397 0.460 5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.269 0.110 8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.977 0.440 8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.351 -1.576 6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.521 -2.040 8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.758 -2.932 8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.612 -1.823 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.416 -1.374 7.924 1.00 0.00 H new ATOM 295 N GLN A 22 -10.898 -1.630 4.300 1.00 0.00 N ATOM 296 CA GLN A 22 -10.792 -3.050 3.990 1.00 0.00 C ATOM 297 C GLN A 22 -10.111 -3.279 2.642 1.00 0.00 C ATOM 298 O GLN A 22 -8.967 -3.728 2.582 1.00 0.00 O ATOM 299 CB GLN A 22 -12.178 -3.700 3.989 1.00 0.00 C ATOM 300 CG GLN A 22 -12.156 -5.176 3.627 1.00 0.00 C ATOM 301 CD GLN A 22 -12.127 -6.076 4.847 1.00 0.00 C ATOM 302 OE1 GLN A 22 -12.732 -5.769 5.874 1.00 0.00 O ATOM 303 NE2 GLN A 22 -11.422 -7.196 4.739 1.00 0.00 N ATOM 0 H GLN A 22 -11.842 -1.250 4.226 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.178 -3.511 4.763 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.626 -3.583 4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.818 -3.171 3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.035 -5.412 3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.283 -5.381 3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.936 -7.411 3.868 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.367 -7.842 5.527 1.00 0.00 H new ATOM 312 N MET A 23 -10.838 -3.001 1.562 1.00 0.00 N ATOM 313 CA MET A 23 -10.328 -3.239 0.212 1.00 0.00 C ATOM 314 C MET A 23 -9.190 -2.282 -0.167 1.00 0.00 C ATOM 315 O MET A 23 -8.027 -2.532 0.146 1.00 0.00 O ATOM 316 CB MET A 23 -11.457 -3.155 -0.830 1.00 0.00 C ATOM 317 CG MET A 23 -12.751 -2.531 -0.323 1.00 0.00 C ATOM 318 SD MET A 23 -12.676 -0.731 -0.268 1.00 0.00 S ATOM 319 CE MET A 23 -13.974 -0.295 -1.423 1.00 0.00 C ATOM 0 H MET A 23 -11.780 -2.612 1.594 1.00 0.00 H new ATOM 0 HA MET A 23 -9.919 -4.249 0.213 1.00 0.00 H new ATOM 0 HB2 MET A 23 -11.102 -2.577 -1.684 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.673 -4.160 -1.193 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.575 -2.837 -0.968 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.968 -2.913 0.675 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.653 0.554 -2.027 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.183 -1.145 -2.073 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.876 -0.028 -0.873 1.00 0.00 H new ATOM 329 N LEU A 24 -9.533 -1.219 -0.893 1.00 0.00 N ATOM 330 CA LEU A 24 -8.548 -0.274 -1.424 1.00 0.00 C ATOM 331 C LEU A 24 -7.742 0.454 -0.349 1.00 0.00 C ATOM 332 O LEU A 24 -6.965 1.353 -0.674 1.00 0.00 O ATOM 333 CB LEU A 24 -9.247 0.768 -2.311 1.00 0.00 C ATOM 334 CG LEU A 24 -10.567 1.344 -1.778 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.393 1.917 -0.381 1.00 0.00 C ATOM 336 CD2 LEU A 24 -11.094 2.411 -2.724 1.00 0.00 C ATOM 0 H LEU A 24 -10.498 -0.988 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.842 -0.873 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.556 1.594 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.440 0.315 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.291 0.532 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.344 2.317 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.059 1.131 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.651 2.715 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.030 2.812 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.363 3.215 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.267 1.972 -3.707 1.00 0.00 H new ATOM 348 N GLY A 25 -7.945 0.122 0.920 1.00 0.00 N ATOM 349 CA GLY A 25 -7.277 0.878 1.959 1.00 0.00 C ATOM 350 C GLY A 25 -7.796 2.293 1.922 1.00 0.00 C ATOM 351 O GLY A 25 -8.999 2.520 2.042 1.00 0.00 O ATOM 0 H GLY A 25 -8.545 -0.638 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.464 0.430 2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.198 0.865 1.804 1.00 0.00 H new ATOM 355 N GLU A 26 -6.917 3.244 1.673 1.00 0.00 N ATOM 356 CA GLU A 26 -7.368 4.584 1.367 1.00 0.00 C ATOM 357 C GLU A 26 -7.887 4.562 -0.064 1.00 0.00 C ATOM 358 O GLU A 26 -9.086 4.672 -0.321 1.00 0.00 O ATOM 359 CB GLU A 26 -6.233 5.600 1.522 1.00 0.00 C ATOM 360 CG GLU A 26 -6.390 6.500 2.737 1.00 0.00 C ATOM 361 CD GLU A 26 -6.451 5.720 4.037 1.00 0.00 C ATOM 362 OE1 GLU A 26 -7.566 5.330 4.443 1.00 0.00 O ATOM 363 OE2 GLU A 26 -5.385 5.500 4.649 1.00 0.00 O ATOM 0 H GLU A 26 -5.905 3.117 1.676 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.153 4.890 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.285 5.067 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.183 6.218 0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.555 7.200 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.298 7.093 2.630 1.00 0.00 H new ATOM 370 N ARG A 27 -6.949 4.338 -0.975 1.00 0.00 N ATOM 371 CA ARG A 27 -7.223 4.151 -2.396 1.00 0.00 C ATOM 372 C ARG A 27 -6.028 3.439 -3.016 1.00 0.00 C ATOM 373 O ARG A 27 -5.921 3.288 -4.231 1.00 0.00 O ATOM 374 CB ARG A 27 -7.445 5.501 -3.091 1.00 0.00 C ATOM 375 CG ARG A 27 -8.536 5.493 -4.161 1.00 0.00 C ATOM 376 CD ARG A 27 -8.829 4.093 -4.678 1.00 0.00 C ATOM 377 NE ARG A 27 -9.879 4.083 -5.696 1.00 0.00 N ATOM 378 CZ ARG A 27 -11.126 4.502 -5.485 1.00 0.00 C ATOM 379 NH1 ARG A 27 -11.487 4.969 -4.297 1.00 0.00 N ATOM 380 NH2 ARG A 27 -12.014 4.457 -6.469 1.00 0.00 N ATOM 0 H ARG A 27 -5.957 4.280 -0.744 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.130 3.559 -2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.699 6.246 -2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.508 5.818 -3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.449 5.924 -3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.231 6.128 -4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.918 3.665 -5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.128 3.456 -3.845 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.642 3.734 -6.625 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.808 5.009 -3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.444 5.288 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.742 4.102 -7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.969 4.777 -6.309 1.00 0.00 H new ATOM 394 N LEU A 28 -5.110 3.052 -2.141 1.00 0.00 N ATOM 395 CA LEU A 28 -3.827 2.488 -2.527 1.00 0.00 C ATOM 396 C LEU A 28 -3.925 1.210 -3.356 1.00 0.00 C ATOM 397 O LEU A 28 -3.673 1.227 -4.560 1.00 0.00 O ATOM 398 CB LEU A 28 -3.010 2.225 -1.267 1.00 0.00 C ATOM 399 CG LEU A 28 -2.286 3.450 -0.706 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.855 3.831 0.653 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.793 3.189 -0.607 1.00 0.00 C ATOM 0 H LEU A 28 -5.238 3.122 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.343 3.220 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.672 1.828 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.273 1.452 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.443 4.285 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.328 4.704 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.915 4.063 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.730 2.999 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.295 4.072 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.615 2.340 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.396 2.967 -1.598 1.00 0.00 H new ATOM 413 N PHE A 29 -4.203 0.096 -2.686 1.00 0.00 N ATOM 414 CA PHE A 29 -4.218 -1.227 -3.317 1.00 0.00 C ATOM 415 C PHE A 29 -4.686 -1.209 -4.783 1.00 0.00 C ATOM 416 O PHE A 29 -4.026 -1.800 -5.635 1.00 0.00 O ATOM 417 CB PHE A 29 -5.065 -2.204 -2.495 1.00 0.00 C ATOM 418 CG PHE A 29 -4.408 -3.545 -2.298 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.966 -4.287 -3.384 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.223 -4.059 -1.024 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.357 -5.515 -3.201 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.613 -5.286 -0.837 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.187 -6.016 -1.927 1.00 0.00 C ATOM 0 H PHE A 29 -4.425 0.081 -1.690 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.182 -1.565 -3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.272 -1.762 -1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.025 -2.347 -2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.099 -3.901 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.559 -3.494 -0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.015 -6.081 -4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.470 -5.672 0.161 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.721 -6.979 -1.783 1.00 0.00 H new ATOM 433 N PRO A 30 -5.814 -0.546 -5.115 1.00 0.00 N ATOM 434 CA PRO A 30 -6.332 -0.519 -6.493 1.00 0.00 C ATOM 435 C PRO A 30 -5.376 0.139 -7.490 1.00 0.00 C ATOM 436 O PRO A 30 -5.170 -0.380 -8.591 1.00 0.00 O ATOM 437 CB PRO A 30 -7.631 0.285 -6.389 1.00 0.00 C ATOM 438 CG PRO A 30 -7.521 1.035 -5.111 1.00 0.00 C ATOM 439 CD PRO A 30 -6.701 0.176 -4.193 1.00 0.00 C ATOM 0 HA PRO A 30 -6.471 -1.531 -6.873 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.744 0.963 -7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.502 -0.371 -6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.045 2.003 -5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.506 1.229 -4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.137 0.775 -3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.325 -0.507 -3.616 1.00 0.00 H new ATOM 447 N LEU A 31 -4.775 1.269 -7.114 1.00 0.00 N ATOM 448 CA LEU A 31 -3.855 1.946 -8.033 1.00 0.00 C ATOM 449 C LEU A 31 -2.571 1.144 -8.167 1.00 0.00 C ATOM 450 O LEU A 31 -2.076 0.924 -9.276 1.00 0.00 O ATOM 451 CB LEU A 31 -3.525 3.376 -7.591 1.00 0.00 C ATOM 452 CG LEU A 31 -4.026 3.784 -6.212 1.00 0.00 C ATOM 453 CD1 LEU A 31 -2.862 4.072 -5.294 1.00 0.00 C ATOM 454 CD2 LEU A 31 -4.914 5.004 -6.309 1.00 0.00 C ATOM 0 H LEU A 31 -4.901 1.724 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.359 2.012 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.442 3.501 -7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.941 4.066 -8.325 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.607 2.957 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.236 4.362 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.245 3.179 -5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.264 4.883 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.262 5.281 -5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.350 5.832 -6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.771 4.781 -6.944 1.00 0.00 H new ATOM 466 N ILE A 32 -2.049 0.677 -7.042 1.00 0.00 N ATOM 467 CA ILE A 32 -0.853 -0.142 -7.066 1.00 0.00 C ATOM 468 C ILE A 32 -1.183 -1.521 -7.618 1.00 0.00 C ATOM 469 O ILE A 32 -0.292 -2.291 -7.952 1.00 0.00 O ATOM 470 CB ILE A 32 -0.201 -0.286 -5.680 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.617 0.873 -4.767 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.313 -0.340 -5.828 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.114 0.909 -3.442 1.00 0.00 C ATOM 0 H ILE A 32 -2.432 0.850 -6.113 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.134 0.364 -7.711 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.542 -1.214 -5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.445 1.813 -5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.688 0.805 -4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.771 -0.442 -4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.588 -1.194 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.665 0.578 -6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.238 1.758 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.078 -0.014 -2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.185 1.010 -3.620 1.00 0.00 H new ATOM 485 N GLN A 33 -2.477 -1.827 -7.709 1.00 0.00 N ATOM 486 CA GLN A 33 -2.914 -3.091 -8.286 1.00 0.00 C ATOM 487 C GLN A 33 -2.477 -3.145 -9.739 1.00 0.00 C ATOM 488 O GLN A 33 -1.971 -4.159 -10.215 1.00 0.00 O ATOM 489 CB GLN A 33 -4.431 -3.248 -8.175 1.00 0.00 C ATOM 490 CG GLN A 33 -4.959 -4.534 -8.789 1.00 0.00 C ATOM 491 CD GLN A 33 -4.714 -5.744 -7.909 1.00 0.00 C ATOM 492 OE1 GLN A 33 -5.153 -5.790 -6.760 1.00 0.00 O ATOM 493 NE2 GLN A 33 -4.008 -6.732 -8.447 1.00 0.00 N ATOM 0 H GLN A 33 -3.233 -1.220 -7.392 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.458 -3.914 -7.735 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.715 -3.215 -7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.912 -2.399 -8.662 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.029 -4.433 -8.971 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.484 -4.692 -9.757 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.664 -6.651 -9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.810 -7.572 -7.903 1.00 0.00 H new ATOM 502 N ALA A 34 -2.628 -2.019 -10.428 1.00 0.00 N ATOM 503 CA ALA A 34 -2.151 -1.906 -11.798 1.00 0.00 C ATOM 504 C ALA A 34 -0.628 -1.974 -11.796 1.00 0.00 C ATOM 505 O ALA A 34 -0.006 -2.441 -12.750 1.00 0.00 O ATOM 506 CB ALA A 34 -2.634 -0.611 -12.432 1.00 0.00 C ATOM 0 H ALA A 34 -3.074 -1.178 -10.062 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.550 -2.729 -12.391 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.266 -0.548 -13.456 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.724 -0.593 -12.437 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.259 0.237 -11.858 1.00 0.00 H new ATOM 512 N MET A 35 -0.046 -1.539 -10.680 1.00 0.00 N ATOM 513 CA MET A 35 1.402 -1.564 -10.486 1.00 0.00 C ATOM 514 C MET A 35 1.793 -2.728 -9.579 1.00 0.00 C ATOM 515 O MET A 35 2.814 -2.680 -8.892 1.00 0.00 O ATOM 516 CB MET A 35 1.864 -0.250 -9.858 1.00 0.00 C ATOM 517 CG MET A 35 1.176 0.969 -10.443 1.00 0.00 C ATOM 518 SD MET A 35 1.709 2.511 -9.676 1.00 0.00 S ATOM 519 CE MET A 35 0.131 3.312 -9.403 1.00 0.00 C ATOM 0 H MET A 35 -0.564 -1.160 -9.887 1.00 0.00 H new ATOM 0 HA MET A 35 1.883 -1.691 -11.456 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.678 -0.283 -8.784 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.941 -0.150 -9.992 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.376 1.014 -11.514 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.098 0.864 -10.324 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.292 4.368 -9.186 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.486 3.215 -10.296 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.375 2.842 -8.560 1.00 0.00 H new ATOM 529 N HIS A 36 0.951 -3.760 -9.561 1.00 0.00 N ATOM 530 CA HIS A 36 1.155 -4.909 -8.687 1.00 0.00 C ATOM 531 C HIS A 36 2.428 -5.705 -9.011 1.00 0.00 C ATOM 532 O HIS A 36 3.019 -6.280 -8.098 1.00 0.00 O ATOM 533 CB HIS A 36 -0.078 -5.821 -8.710 1.00 0.00 C ATOM 534 CG HIS A 36 0.032 -6.987 -9.645 1.00 0.00 C ATOM 535 ND1 HIS A 36 -0.334 -6.884 -10.967 1.00 0.00 N ATOM 536 CD2 HIS A 36 0.462 -8.248 -9.401 1.00 0.00 C ATOM 537 CE1 HIS A 36 -0.116 -8.075 -11.496 1.00 0.00 C ATOM 538 NE2 HIS A 36 0.367 -8.932 -10.585 1.00 0.00 N ATOM 0 H HIS A 36 0.118 -3.822 -10.146 1.00 0.00 H new ATOM 0 HA HIS A 36 1.295 -4.513 -7.681 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.257 -6.195 -7.702 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.949 -5.228 -8.989 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.812 -8.639 -8.457 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.303 -8.326 -12.530 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.617 -9.908 -10.743 1.00 0.00 H new ATOM 546 N PRO A 37 2.877 -5.776 -10.296 1.00 0.00 N ATOM 547 CA PRO A 37 4.097 -6.507 -10.657 1.00 0.00 C ATOM 548 C PRO A 37 5.175 -6.388 -9.584 1.00 0.00 C ATOM 549 O PRO A 37 5.948 -7.320 -9.357 1.00 0.00 O ATOM 550 CB PRO A 37 4.528 -5.819 -11.946 1.00 0.00 C ATOM 551 CG PRO A 37 3.246 -5.430 -12.600 1.00 0.00 C ATOM 552 CD PRO A 37 2.262 -5.150 -11.487 1.00 0.00 C ATOM 0 HA PRO A 37 3.932 -7.579 -10.765 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.152 -4.948 -11.743 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.111 -6.488 -12.579 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.383 -4.549 -13.227 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.883 -6.229 -13.247 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.116 -4.079 -11.344 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.284 -5.579 -11.703 1.00 0.00 H new ATOM 560 N THR A 38 5.188 -5.248 -8.899 1.00 0.00 N ATOM 561 CA THR A 38 6.105 -5.027 -7.792 1.00 0.00 C ATOM 562 C THR A 38 5.587 -5.745 -6.547 1.00 0.00 C ATOM 563 O THR A 38 5.907 -6.912 -6.318 1.00 0.00 O ATOM 564 CB THR A 38 6.253 -3.527 -7.523 1.00 0.00 C ATOM 565 OG1 THR A 38 6.420 -2.819 -8.739 1.00 0.00 O ATOM 566 CG2 THR A 38 7.423 -3.183 -6.627 1.00 0.00 C ATOM 0 H THR A 38 4.569 -4.461 -9.095 1.00 0.00 H new ATOM 0 HA THR A 38 7.085 -5.429 -8.050 1.00 0.00 H new ATOM 0 HB THR A 38 5.335 -3.235 -7.013 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.813 -2.050 -8.755 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.465 -2.104 -6.481 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.299 -3.675 -5.662 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.349 -3.522 -7.091 1.00 0.00 H new ATOM 574 N LEU A 39 4.757 -5.054 -5.763 1.00 0.00 N ATOM 575 CA LEU A 39 4.151 -5.650 -4.576 1.00 0.00 C ATOM 576 C LEU A 39 3.092 -4.725 -3.974 1.00 0.00 C ATOM 577 O LEU A 39 3.225 -4.280 -2.834 1.00 0.00 O ATOM 578 CB LEU A 39 5.219 -5.980 -3.531 1.00 0.00 C ATOM 579 CG LEU A 39 4.928 -7.221 -2.681 1.00 0.00 C ATOM 580 CD1 LEU A 39 4.920 -8.472 -3.547 1.00 0.00 C ATOM 581 CD2 LEU A 39 5.949 -7.353 -1.562 1.00 0.00 C ATOM 0 H LEU A 39 4.491 -4.084 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 39 3.663 -6.575 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.173 -6.121 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.335 -5.123 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 39 3.941 -7.107 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.712 -9.343 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.150 -8.380 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.893 -8.591 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.726 -8.240 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.948 -7.444 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.906 -6.470 -0.924 1.00 0.00 H new ATOM 593 N ALA A 40 2.037 -4.453 -4.744 1.00 0.00 N ATOM 594 CA ALA A 40 0.949 -3.584 -4.294 1.00 0.00 C ATOM 595 C ALA A 40 0.520 -3.916 -2.866 1.00 0.00 C ATOM 596 O ALA A 40 0.268 -3.020 -2.061 1.00 0.00 O ATOM 597 CB ALA A 40 -0.240 -3.698 -5.239 1.00 0.00 C ATOM 0 H ALA A 40 1.913 -4.824 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 40 1.317 -2.558 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.043 -3.047 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.063 -3.400 -6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.592 -4.729 -5.258 1.00 0.00 H new ATOM 603 N GLY A 41 0.448 -5.208 -2.561 1.00 0.00 N ATOM 604 CA GLY A 41 0.035 -5.647 -1.238 1.00 0.00 C ATOM 605 C GLY A 41 0.815 -4.998 -0.113 1.00 0.00 C ATOM 606 O GLY A 41 0.228 -4.487 0.841 1.00 0.00 O ATOM 0 H GLY A 41 0.669 -5.963 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.025 -5.430 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.149 -6.729 -1.171 1.00 0.00 H new ATOM 610 N LYS A 42 2.138 -5.051 -0.196 1.00 0.00 N ATOM 611 CA LYS A 42 2.984 -4.484 0.849 1.00 0.00 C ATOM 612 C LYS A 42 3.066 -2.966 0.745 1.00 0.00 C ATOM 613 O LYS A 42 3.047 -2.267 1.759 1.00 0.00 O ATOM 614 CB LYS A 42 4.392 -5.088 0.805 1.00 0.00 C ATOM 615 CG LYS A 42 5.281 -4.658 1.968 1.00 0.00 C ATOM 616 CD LYS A 42 4.512 -4.590 3.283 1.00 0.00 C ATOM 617 CE LYS A 42 5.197 -3.673 4.283 1.00 0.00 C ATOM 618 NZ LYS A 42 5.735 -4.425 5.450 1.00 0.00 N ATOM 0 H LYS A 42 2.647 -5.478 -0.970 1.00 0.00 H new ATOM 0 HA LYS A 42 2.523 -4.735 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.311 -6.175 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.871 -4.803 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.110 -5.359 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.714 -3.682 1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.499 -4.233 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.424 -5.591 3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.009 -3.140 3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.488 -2.922 4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.230 -4.136 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.602 -5.445 5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.749 -4.220 5.558 1.00 0.00 H new ATOM 632 N ILE A 43 3.167 -2.457 -0.480 1.00 0.00 N ATOM 633 CA ILE A 43 3.258 -1.019 -0.700 1.00 0.00 C ATOM 634 C ILE A 43 2.104 -0.292 -0.018 1.00 0.00 C ATOM 635 O ILE A 43 2.321 0.617 0.783 1.00 0.00 O ATOM 636 CB ILE A 43 3.257 -0.670 -2.197 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.375 -1.421 -2.923 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.413 0.830 -2.388 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.313 -1.282 -4.428 1.00 0.00 C ATOM 0 H ILE A 43 3.188 -3.018 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 43 4.204 -0.693 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 43 2.303 -0.978 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.338 -1.052 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.323 -2.478 -2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.411 1.063 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.586 1.347 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.355 1.157 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.134 -1.839 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.364 -1.677 -4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.396 -0.230 -4.700 1.00 0.00 H new ATOM 651 N THR A 44 0.879 -0.705 -0.331 1.00 0.00 N ATOM 652 CA THR A 44 -0.302 -0.104 0.273 1.00 0.00 C ATOM 653 C THR A 44 -0.193 -0.132 1.791 1.00 0.00 C ATOM 654 O THR A 44 -0.518 0.845 2.464 1.00 0.00 O ATOM 655 CB THR A 44 -1.568 -0.839 -0.175 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.725 -0.191 0.321 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.623 -2.278 0.285 1.00 0.00 C ATOM 0 H THR A 44 0.680 -1.451 -0.997 1.00 0.00 H new ATOM 0 HA THR A 44 -0.365 0.933 -0.057 1.00 0.00 H new ATOM 0 HB THR A 44 -1.537 -0.823 -1.264 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.524 -0.674 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.546 -2.738 -0.068 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.769 -2.822 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.593 -2.313 1.374 1.00 0.00 H new ATOM 665 N GLY A 45 0.298 -1.251 2.317 1.00 0.00 N ATOM 666 CA GLY A 45 0.448 -1.399 3.752 1.00 0.00 C ATOM 667 C GLY A 45 1.201 -0.247 4.387 1.00 0.00 C ATOM 668 O GLY A 45 0.624 0.533 5.138 1.00 0.00 O ATOM 0 H GLY A 45 0.595 -2.060 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.538 -1.478 4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.973 -2.331 3.963 1.00 0.00 H new ATOM 672 N MET A 46 2.488 -0.130 4.075 1.00 0.00 N ATOM 673 CA MET A 46 3.319 0.929 4.643 1.00 0.00 C ATOM 674 C MET A 46 2.723 2.311 4.383 1.00 0.00 C ATOM 675 O MET A 46 2.646 3.139 5.291 1.00 0.00 O ATOM 676 CB MET A 46 4.742 0.859 4.079 1.00 0.00 C ATOM 677 CG MET A 46 4.819 0.285 2.673 1.00 0.00 C ATOM 678 SD MET A 46 6.151 -0.916 2.485 1.00 0.00 S ATOM 679 CE MET A 46 7.581 0.108 2.814 1.00 0.00 C ATOM 0 H MET A 46 2.978 -0.753 3.434 1.00 0.00 H new ATOM 0 HA MET A 46 3.354 0.773 5.721 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.171 1.861 4.076 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.356 0.251 4.743 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.869 -0.190 2.426 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.964 1.097 1.961 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.359 -0.108 2.082 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.300 1.159 2.746 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.957 -0.103 3.815 1.00 0.00 H new ATOM 689 N LEU A 47 2.312 2.565 3.144 1.00 0.00 N ATOM 690 CA LEU A 47 1.743 3.861 2.786 1.00 0.00 C ATOM 691 C LEU A 47 0.276 3.966 3.201 1.00 0.00 C ATOM 692 O LEU A 47 -0.403 4.930 2.845 1.00 0.00 O ATOM 693 CB LEU A 47 1.872 4.119 1.282 1.00 0.00 C ATOM 694 CG LEU A 47 3.295 4.388 0.773 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.999 5.416 1.647 1.00 0.00 C ATOM 696 CD2 LEU A 47 4.096 3.097 0.716 1.00 0.00 C ATOM 0 H LEU A 47 2.361 1.896 2.376 1.00 0.00 H new ATOM 0 HA LEU A 47 2.309 4.619 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.472 3.257 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.246 4.973 1.023 1.00 0.00 H new ATOM 0 HG LEU A 47 3.222 4.793 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.005 5.589 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.439 6.351 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.057 5.045 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.102 3.309 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.155 2.661 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.607 2.395 0.041 1.00 0.00 H new ATOM 708 N LEU A 48 -0.215 2.981 3.953 1.00 0.00 N ATOM 709 CA LEU A 48 -1.604 3.005 4.407 1.00 0.00 C ATOM 710 C LEU A 48 -1.828 4.184 5.346 1.00 0.00 C ATOM 711 O LEU A 48 -2.963 4.583 5.603 1.00 0.00 O ATOM 712 CB LEU A 48 -1.994 1.682 5.083 1.00 0.00 C ATOM 713 CG LEU A 48 -3.355 1.116 4.667 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.444 2.166 4.809 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.302 0.600 3.239 1.00 0.00 C ATOM 0 H LEU A 48 0.320 2.168 4.257 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.247 3.127 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.227 0.940 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.994 1.830 6.163 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.594 0.284 5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.401 1.740 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.502 2.491 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.211 3.020 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.277 0.201 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.038 1.416 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.553 -0.188 3.165 1.00 0.00 H new ATOM 727 N GLU A 49 -0.731 4.787 5.797 1.00 0.00 N ATOM 728 CA GLU A 49 -0.800 5.963 6.653 1.00 0.00 C ATOM 729 C GLU A 49 -1.094 7.210 5.821 1.00 0.00 C ATOM 730 O GLU A 49 -0.826 8.333 6.249 1.00 0.00 O ATOM 731 CB GLU A 49 0.515 6.139 7.414 1.00 0.00 C ATOM 732 CG GLU A 49 0.839 4.978 8.340 1.00 0.00 C ATOM 733 CD GLU A 49 1.047 5.422 9.775 1.00 0.00 C ATOM 734 OE1 GLU A 49 0.226 6.220 10.273 1.00 0.00 O ATOM 735 OE2 GLU A 49 2.027 4.970 10.401 1.00 0.00 O ATOM 0 H GLU A 49 0.217 4.478 5.582 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.608 5.823 7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.327 6.259 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.467 7.058 7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.029 4.250 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.738 4.474 7.985 1.00 0.00 H new ATOM 742 N ILE A 50 -1.644 7.000 4.626 1.00 0.00 N ATOM 743 CA ILE A 50 -1.968 8.096 3.720 1.00 0.00 C ATOM 744 C ILE A 50 -3.324 8.708 4.076 1.00 0.00 C ATOM 745 O ILE A 50 -4.153 8.066 4.723 1.00 0.00 O ATOM 746 CB ILE A 50 -1.951 7.615 2.246 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.017 8.489 1.409 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.346 7.600 1.636 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.726 7.915 0.039 1.00 0.00 C ATOM 0 H ILE A 50 -1.875 6.075 4.263 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.206 8.867 3.833 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.580 6.590 2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.462 9.477 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.078 8.623 1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.288 7.257 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.985 6.926 2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.765 8.606 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.058 8.585 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.253 6.939 0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.658 7.807 -0.516 1.00 0.00 H new ATOM 761 N ASP A 51 -3.532 9.960 3.676 1.00 0.00 N ATOM 762 CA ASP A 51 -4.768 10.670 3.984 1.00 0.00 C ATOM 763 C ASP A 51 -5.954 10.099 3.215 1.00 0.00 C ATOM 764 O ASP A 51 -5.791 9.516 2.143 1.00 0.00 O ATOM 765 CB ASP A 51 -4.619 12.154 3.648 1.00 0.00 C ATOM 766 CG ASP A 51 -3.910 12.929 4.742 1.00 0.00 C ATOM 767 OD1 ASP A 51 -2.701 12.696 4.949 1.00 0.00 O ATOM 768 OD2 ASP A 51 -4.565 13.773 5.390 1.00 0.00 O ATOM 0 H ASP A 51 -2.858 10.504 3.137 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.958 10.546 5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.064 12.258 2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.606 12.586 3.482 1.00 0.00 H new ATOM 773 N ASN A 52 -7.151 10.298 3.761 1.00 0.00 N ATOM 774 CA ASN A 52 -8.372 9.845 3.110 1.00 0.00 C ATOM 775 C ASN A 52 -8.853 10.893 2.114 1.00 0.00 C ATOM 776 O ASN A 52 -9.488 10.570 1.109 1.00 0.00 O ATOM 777 CB ASN A 52 -9.462 9.562 4.146 1.00 0.00 C ATOM 778 CG ASN A 52 -9.463 8.117 4.607 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.280 7.288 3.965 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.737 7.748 5.531 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.299 10.770 4.653 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.157 8.920 2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.319 10.215 5.007 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.436 9.805 3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.125 8.417 5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.748 6.773 5.830 1.00 0.00 H new ATOM 787 N SER A 53 -8.540 12.151 2.396 1.00 0.00 N ATOM 788 CA SER A 53 -8.898 13.242 1.501 1.00 0.00 C ATOM 789 C SER A 53 -7.991 13.222 0.278 1.00 0.00 C ATOM 790 O SER A 53 -8.391 13.613 -0.820 1.00 0.00 O ATOM 791 CB SER A 53 -8.783 14.587 2.221 1.00 0.00 C ATOM 792 OG SER A 53 -9.664 14.648 3.330 1.00 0.00 O ATOM 0 H SER A 53 -8.040 12.440 3.236 1.00 0.00 H new ATOM 0 HA SER A 53 -9.932 13.110 1.183 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.757 14.736 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.011 15.396 1.527 1.00 0.00 H new ATOM 0 HG SER A 53 -9.571 15.516 3.775 1.00 0.00 H new ATOM 798 N GLU A 54 -6.768 12.741 0.479 1.00 0.00 N ATOM 799 CA GLU A 54 -5.796 12.640 -0.597 1.00 0.00 C ATOM 800 C GLU A 54 -6.064 11.407 -1.448 1.00 0.00 C ATOM 801 O GLU A 54 -5.782 11.395 -2.645 1.00 0.00 O ATOM 802 CB GLU A 54 -4.377 12.579 -0.027 1.00 0.00 C ATOM 803 CG GLU A 54 -3.859 13.924 0.455 1.00 0.00 C ATOM 804 CD GLU A 54 -2.618 14.375 -0.290 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.054 13.563 -1.054 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.209 15.541 -0.110 1.00 0.00 O ATOM 0 H GLU A 54 -6.428 12.414 1.383 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.890 13.526 -1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.357 11.872 0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.703 12.192 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.641 14.674 0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.636 13.862 1.520 1.00 0.00 H new ATOM 813 N LEU A 55 -6.629 10.375 -0.825 1.00 0.00 N ATOM 814 CA LEU A 55 -6.941 9.139 -1.531 1.00 0.00 C ATOM 815 C LEU A 55 -7.893 9.421 -2.686 1.00 0.00 C ATOM 816 O LEU A 55 -7.670 8.976 -3.813 1.00 0.00 O ATOM 817 CB LEU A 55 -7.538 8.103 -0.562 1.00 0.00 C ATOM 818 CG LEU A 55 -9.065 8.125 -0.386 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.759 7.349 -1.499 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.452 7.552 0.967 1.00 0.00 C ATOM 0 H LEU A 55 -6.879 10.372 0.164 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.020 8.724 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.249 7.110 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.080 8.248 0.416 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.392 9.164 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.838 7.382 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.514 7.796 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.422 6.312 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.536 7.575 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.102 6.522 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.996 8.147 1.758 1.00 0.00 H new ATOM 832 N LEU A 56 -8.936 10.191 -2.400 1.00 0.00 N ATOM 833 CA LEU A 56 -9.919 10.552 -3.411 1.00 0.00 C ATOM 834 C LEU A 56 -9.268 11.357 -4.529 1.00 0.00 C ATOM 835 O LEU A 56 -9.491 11.090 -5.709 1.00 0.00 O ATOM 836 CB LEU A 56 -11.059 11.356 -2.781 1.00 0.00 C ATOM 837 CG LEU A 56 -12.277 11.565 -3.683 1.00 0.00 C ATOM 838 CD1 LEU A 56 -12.898 10.227 -4.052 1.00 0.00 C ATOM 839 CD2 LEU A 56 -13.300 12.461 -2.999 1.00 0.00 C ATOM 0 H LEU A 56 -9.122 10.577 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.327 9.634 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.382 10.849 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.674 12.331 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.950 12.057 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.763 10.392 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.164 9.619 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.212 9.709 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -14.159 12.599 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.625 11.997 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.849 13.430 -2.784 1.00 0.00 H new ATOM 851 N HIS A 57 -8.449 12.332 -4.146 1.00 0.00 N ATOM 852 CA HIS A 57 -7.757 13.175 -5.114 1.00 0.00 C ATOM 853 C HIS A 57 -6.863 12.343 -6.030 1.00 0.00 C ATOM 854 O HIS A 57 -6.617 12.715 -7.177 1.00 0.00 O ATOM 855 CB HIS A 57 -6.916 14.228 -4.389 1.00 0.00 C ATOM 856 CG HIS A 57 -7.537 15.590 -4.377 1.00 0.00 C ATOM 857 ND1 HIS A 57 -7.387 16.456 -5.434 1.00 0.00 N ATOM 858 CD2 HIS A 57 -8.286 16.187 -3.418 1.00 0.00 C ATOM 859 CE1 HIS A 57 -8.046 17.552 -5.102 1.00 0.00 C ATOM 860 NE2 HIS A 57 -8.607 17.433 -3.889 1.00 0.00 N ATOM 0 H HIS A 57 -8.249 12.557 -3.172 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.510 13.671 -5.727 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.752 13.904 -3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.937 14.289 -4.865 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.574 15.763 -2.467 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.123 18.430 -5.726 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.167 18.137 -3.408 1.00 0.00 H new ATOM 868 N MET A 58 -6.382 11.215 -5.516 1.00 0.00 N ATOM 869 CA MET A 58 -5.504 10.335 -6.282 1.00 0.00 C ATOM 870 C MET A 58 -6.257 9.650 -7.418 1.00 0.00 C ATOM 871 O MET A 58 -5.796 9.637 -8.559 1.00 0.00 O ATOM 872 CB MET A 58 -4.883 9.279 -5.362 1.00 0.00 C ATOM 873 CG MET A 58 -3.871 9.845 -4.381 1.00 0.00 C ATOM 874 SD MET A 58 -2.412 10.510 -5.200 1.00 0.00 S ATOM 875 CE MET A 58 -2.498 12.229 -4.709 1.00 0.00 C ATOM 0 H MET A 58 -6.585 10.888 -4.571 1.00 0.00 H new ATOM 0 HA MET A 58 -4.715 10.948 -6.717 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.677 8.782 -4.805 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.398 8.518 -5.973 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.342 10.631 -3.791 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.568 9.063 -3.685 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.658 12.773 -5.140 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.432 12.663 -5.065 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.456 12.299 -3.622 1.00 0.00 H new ATOM 885 N LEU A 59 -7.410 9.069 -7.100 1.00 0.00 N ATOM 886 CA LEU A 59 -8.214 8.375 -8.101 1.00 0.00 C ATOM 887 C LEU A 59 -8.719 9.341 -9.164 1.00 0.00 C ATOM 888 O LEU A 59 -9.051 8.934 -10.277 1.00 0.00 O ATOM 889 CB LEU A 59 -9.391 7.652 -7.439 1.00 0.00 C ATOM 890 CG LEU A 59 -9.658 6.232 -7.952 1.00 0.00 C ATOM 891 CD1 LEU A 59 -10.191 6.267 -9.376 1.00 0.00 C ATOM 892 CD2 LEU A 59 -8.397 5.384 -7.870 1.00 0.00 C ATOM 0 H LEU A 59 -7.808 9.065 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.578 7.636 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.210 7.605 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.291 8.249 -7.585 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.416 5.776 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.374 5.249 -9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.123 6.832 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.459 6.745 -10.027 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.609 4.380 -8.239 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.614 5.837 -8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.064 5.327 -6.834 1.00 0.00 H new ATOM 904 N GLU A 60 -8.756 10.624 -8.825 1.00 0.00 N ATOM 905 CA GLU A 60 -9.197 11.640 -9.768 1.00 0.00 C ATOM 906 C GLU A 60 -8.000 12.281 -10.456 1.00 0.00 C ATOM 907 O GLU A 60 -8.152 13.104 -11.360 1.00 0.00 O ATOM 908 CB GLU A 60 -10.031 12.707 -9.058 1.00 0.00 C ATOM 909 CG GLU A 60 -11.026 12.135 -8.062 1.00 0.00 C ATOM 910 CD GLU A 60 -12.462 12.483 -8.404 1.00 0.00 C ATOM 911 OE1 GLU A 60 -12.703 13.613 -8.875 1.00 0.00 O ATOM 912 OE2 GLU A 60 -13.346 11.624 -8.197 1.00 0.00 O ATOM 0 H GLU A 60 -8.487 10.983 -7.909 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.819 11.159 -10.523 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.362 13.393 -8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.570 13.291 -9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.917 11.051 -8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.793 12.510 -7.066 1.00 0.00 H new ATOM 919 N SER A 61 -6.807 11.888 -10.024 1.00 0.00 N ATOM 920 CA SER A 61 -5.571 12.411 -10.591 1.00 0.00 C ATOM 921 C SER A 61 -4.684 11.276 -11.098 1.00 0.00 C ATOM 922 O SER A 61 -3.728 10.892 -10.434 1.00 0.00 O ATOM 923 CB SER A 61 -4.812 13.227 -9.543 1.00 0.00 C ATOM 924 OG SER A 61 -5.382 14.515 -9.386 1.00 0.00 O ATOM 0 H SER A 61 -6.670 11.205 -9.279 1.00 0.00 H new ATOM 0 HA SER A 61 -5.830 13.055 -11.431 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.826 12.701 -8.588 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.767 13.322 -9.839 1.00 0.00 H new ATOM 0 HG SER A 61 -6.045 14.493 -8.665 1.00 0.00 H new ATOM 930 N PRO A 62 -4.989 10.717 -12.281 1.00 0.00 N ATOM 931 CA PRO A 62 -4.198 9.623 -12.854 1.00 0.00 C ATOM 932 C PRO A 62 -2.723 9.990 -12.991 1.00 0.00 C ATOM 933 O PRO A 62 -1.844 9.138 -12.855 1.00 0.00 O ATOM 934 CB PRO A 62 -4.825 9.407 -14.235 1.00 0.00 C ATOM 935 CG PRO A 62 -6.205 9.955 -14.119 1.00 0.00 C ATOM 936 CD PRO A 62 -6.113 11.102 -13.153 1.00 0.00 C ATOM 0 HA PRO A 62 -4.217 8.734 -12.223 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.259 9.923 -15.011 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.841 8.350 -14.501 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.575 10.289 -15.088 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.898 9.195 -13.758 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.921 12.045 -13.665 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.037 11.228 -12.588 1.00 0.00 H new ATOM 944 N GLU A 63 -2.462 11.264 -13.270 1.00 0.00 N ATOM 945 CA GLU A 63 -1.099 11.753 -13.442 1.00 0.00 C ATOM 946 C GLU A 63 -0.396 11.958 -12.102 1.00 0.00 C ATOM 947 O GLU A 63 0.740 11.519 -11.915 1.00 0.00 O ATOM 948 CB GLU A 63 -1.106 13.065 -14.229 1.00 0.00 C ATOM 949 CG GLU A 63 -1.768 12.951 -15.593 1.00 0.00 C ATOM 950 CD GLU A 63 -0.897 12.235 -16.606 1.00 0.00 C ATOM 951 OE1 GLU A 63 0.298 12.584 -16.715 1.00 0.00 O ATOM 952 OE2 GLU A 63 -1.409 11.326 -17.293 1.00 0.00 O ATOM 0 H GLU A 63 -3.181 11.979 -13.382 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.546 10.995 -13.997 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.623 13.827 -13.646 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.079 13.406 -14.360 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.713 12.418 -15.491 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.004 13.949 -15.963 1.00 0.00 H new ATOM 959 N SER A 64 -1.061 12.652 -11.181 1.00 0.00 N ATOM 960 CA SER A 64 -0.476 12.944 -9.876 1.00 0.00 C ATOM 961 C SER A 64 -0.349 11.683 -9.027 1.00 0.00 C ATOM 962 O SER A 64 0.685 11.443 -8.404 1.00 0.00 O ATOM 963 CB SER A 64 -1.323 13.982 -9.137 1.00 0.00 C ATOM 964 OG SER A 64 -1.461 15.167 -9.902 1.00 0.00 O ATOM 0 H SER A 64 -2.002 13.021 -11.314 1.00 0.00 H new ATOM 0 HA SER A 64 0.524 13.344 -10.043 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.308 13.567 -8.923 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.861 14.216 -8.178 1.00 0.00 H new ATOM 0 HG SER A 64 -2.008 15.813 -9.408 1.00 0.00 H new ATOM 970 N LEU A 65 -1.409 10.887 -9.008 1.00 0.00 N ATOM 971 CA LEU A 65 -1.439 9.662 -8.221 1.00 0.00 C ATOM 972 C LEU A 65 -0.306 8.719 -8.615 1.00 0.00 C ATOM 973 O LEU A 65 0.590 8.456 -7.818 1.00 0.00 O ATOM 974 CB LEU A 65 -2.794 8.965 -8.388 1.00 0.00 C ATOM 975 CG LEU A 65 -2.746 7.438 -8.420 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.369 6.892 -7.052 1.00 0.00 C ATOM 977 CD2 LEU A 65 -4.078 6.875 -8.887 1.00 0.00 C ATOM 0 H LEU A 65 -2.265 11.069 -9.532 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.300 9.929 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.446 9.274 -7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.253 9.317 -9.312 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.981 7.125 -9.131 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.339 5.803 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.388 7.272 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.109 7.209 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.027 5.786 -8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.866 7.191 -8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.298 7.244 -9.889 1.00 0.00 H new ATOM 989 N ARG A 66 -0.366 8.198 -9.839 1.00 0.00 N ATOM 990 CA ARG A 66 0.645 7.266 -10.320 1.00 0.00 C ATOM 991 C ARG A 66 2.046 7.780 -10.018 1.00 0.00 C ATOM 992 O ARG A 66 2.958 6.998 -9.769 1.00 0.00 O ATOM 993 CB ARG A 66 0.488 7.024 -11.820 1.00 0.00 C ATOM 994 CG ARG A 66 0.886 5.620 -12.244 1.00 0.00 C ATOM 995 CD ARG A 66 2.205 5.620 -12.998 1.00 0.00 C ATOM 996 NE ARG A 66 2.117 4.885 -14.256 1.00 0.00 N ATOM 997 CZ ARG A 66 3.070 4.895 -15.183 1.00 0.00 C ATOM 998 NH1 ARG A 66 4.179 5.597 -14.992 1.00 0.00 N ATOM 999 NH2 ARG A 66 2.916 4.200 -16.304 1.00 0.00 N ATOM 0 H ARG A 66 -1.103 8.406 -10.512 1.00 0.00 H new ATOM 0 HA ARG A 66 0.503 6.321 -9.797 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.549 7.202 -12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.096 7.747 -12.364 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.969 4.982 -11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.105 5.194 -12.874 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.507 6.648 -13.199 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.980 5.176 -12.373 1.00 0.00 H new ATOM 0 HE ARG A 66 1.278 4.333 -14.434 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.303 6.131 -14.132 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.908 5.603 -15.705 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.066 3.657 -16.455 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.648 4.209 -17.014 1.00 0.00 H new ATOM 1013 N SER A 67 2.201 9.102 -10.013 1.00 0.00 N ATOM 1014 CA SER A 67 3.483 9.715 -9.689 1.00 0.00 C ATOM 1015 C SER A 67 3.846 9.427 -8.237 1.00 0.00 C ATOM 1016 O SER A 67 4.975 9.042 -7.926 1.00 0.00 O ATOM 1017 CB SER A 67 3.425 11.226 -9.924 1.00 0.00 C ATOM 1018 OG SER A 67 3.959 11.567 -11.192 1.00 0.00 O ATOM 0 H SER A 67 1.457 9.765 -10.229 1.00 0.00 H new ATOM 0 HA SER A 67 4.248 9.289 -10.339 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.392 11.568 -9.857 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.982 11.740 -9.141 1.00 0.00 H new ATOM 0 HG SER A 67 3.909 12.538 -11.318 1.00 0.00 H new ATOM 1024 N LYS A 68 2.860 9.574 -7.357 1.00 0.00 N ATOM 1025 CA LYS A 68 3.053 9.309 -5.942 1.00 0.00 C ATOM 1026 C LYS A 68 3.331 7.830 -5.708 1.00 0.00 C ATOM 1027 O LYS A 68 4.396 7.464 -5.210 1.00 0.00 O ATOM 1028 CB LYS A 68 1.817 9.741 -5.152 1.00 0.00 C ATOM 1029 CG LYS A 68 2.116 10.090 -3.703 1.00 0.00 C ATOM 1030 CD LYS A 68 1.235 9.305 -2.743 1.00 0.00 C ATOM 1031 CE LYS A 68 -0.229 9.692 -2.886 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.737 10.413 -1.687 1.00 0.00 N ATOM 0 H LYS A 68 1.918 9.876 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 68 3.913 9.883 -5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.367 10.605 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.079 8.939 -5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.164 9.883 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.963 11.158 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.350 8.238 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.561 9.484 -1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.353 10.322 -3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.826 8.795 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.537 9.888 -1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.022 10.490 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.052 11.365 -1.962 1.00 0.00 H new ATOM 1046 N VAL A 69 2.386 6.977 -6.099 1.00 0.00 N ATOM 1047 CA VAL A 69 2.549 5.539 -5.932 1.00 0.00 C ATOM 1048 C VAL A 69 3.760 5.031 -6.711 1.00 0.00 C ATOM 1049 O VAL A 69 4.305 3.972 -6.401 1.00 0.00 O ATOM 1050 CB VAL A 69 1.280 4.775 -6.348 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.515 3.271 -6.345 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.140 5.138 -5.417 1.00 0.00 C ATOM 0 H VAL A 69 1.505 7.257 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 69 2.719 5.352 -4.872 1.00 0.00 H new ATOM 0 HB VAL A 69 1.019 5.064 -7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.600 2.759 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.313 3.026 -7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.801 2.949 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.758 4.596 -5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.406 4.869 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.048 6.210 -5.473 1.00 0.00 H new ATOM 1062 N ASP A 70 4.212 5.807 -7.694 1.00 0.00 N ATOM 1063 CA ASP A 70 5.413 5.443 -8.437 1.00 0.00 C ATOM 1064 C ASP A 70 6.556 5.253 -7.454 1.00 0.00 C ATOM 1065 O ASP A 70 7.225 4.218 -7.441 1.00 0.00 O ATOM 1066 CB ASP A 70 5.772 6.520 -9.464 1.00 0.00 C ATOM 1067 CG ASP A 70 7.135 6.294 -10.089 1.00 0.00 C ATOM 1068 OD1 ASP A 70 8.132 6.808 -9.541 1.00 0.00 O ATOM 1069 OD2 ASP A 70 7.203 5.604 -11.128 1.00 0.00 O ATOM 0 H ASP A 70 3.772 6.678 -7.990 1.00 0.00 H new ATOM 0 HA ASP A 70 5.230 4.516 -8.981 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.015 6.537 -10.248 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.754 7.498 -8.982 1.00 0.00 H new ATOM 1074 N GLU A 71 6.720 6.239 -6.575 1.00 0.00 N ATOM 1075 CA GLU A 71 7.721 6.160 -5.522 1.00 0.00 C ATOM 1076 C GLU A 71 7.355 5.047 -4.549 1.00 0.00 C ATOM 1077 O GLU A 71 8.228 4.388 -3.987 1.00 0.00 O ATOM 1078 CB GLU A 71 7.818 7.491 -4.776 1.00 0.00 C ATOM 1079 CG GLU A 71 9.036 7.595 -3.872 1.00 0.00 C ATOM 1080 CD GLU A 71 9.391 9.030 -3.534 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.681 9.636 -2.704 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.378 9.546 -4.098 1.00 0.00 O ATOM 0 H GLU A 71 6.172 7.099 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 71 8.689 5.943 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.844 8.304 -5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.918 7.628 -4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.848 7.045 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.887 7.119 -4.359 1.00 0.00 H new ATOM 1089 N ALA A 72 6.051 4.838 -4.372 1.00 0.00 N ATOM 1090 CA ALA A 72 5.552 3.787 -3.493 1.00 0.00 C ATOM 1091 C ALA A 72 6.086 2.430 -3.935 1.00 0.00 C ATOM 1092 O ALA A 72 6.418 1.580 -3.109 1.00 0.00 O ATOM 1093 CB ALA A 72 4.031 3.789 -3.476 1.00 0.00 C ATOM 0 H ALA A 72 5.321 5.385 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 72 5.905 3.981 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.673 2.999 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.672 4.753 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.656 3.616 -4.485 1.00 0.00 H new ATOM 1099 N VAL A 73 6.189 2.243 -5.246 1.00 0.00 N ATOM 1100 CA VAL A 73 6.735 1.014 -5.801 1.00 0.00 C ATOM 1101 C VAL A 73 8.205 0.887 -5.417 1.00 0.00 C ATOM 1102 O VAL A 73 8.710 -0.215 -5.192 1.00 0.00 O ATOM 1103 CB VAL A 73 6.593 0.982 -7.340 1.00 0.00 C ATOM 1104 CG1 VAL A 73 7.492 -0.080 -7.955 1.00 0.00 C ATOM 1105 CG2 VAL A 73 5.138 0.757 -7.736 1.00 0.00 C ATOM 0 H VAL A 73 5.901 2.929 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 73 6.172 0.175 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 73 6.911 1.949 -7.729 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.369 -0.078 -9.038 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.531 0.135 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.220 -1.059 -7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.056 0.737 -8.823 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.793 -0.193 -7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.524 1.566 -7.340 1.00 0.00 H new ATOM 1115 N ALA A 74 8.875 2.031 -5.308 1.00 0.00 N ATOM 1116 CA ALA A 74 10.282 2.062 -4.936 1.00 0.00 C ATOM 1117 C ALA A 74 10.469 1.739 -3.456 1.00 0.00 C ATOM 1118 O ALA A 74 11.440 1.083 -3.079 1.00 0.00 O ATOM 1119 CB ALA A 74 10.888 3.418 -5.266 1.00 0.00 C ATOM 0 H ALA A 74 8.463 2.949 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 74 10.800 1.297 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.940 3.425 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.800 3.605 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.359 4.197 -4.717 1.00 0.00 H new ATOM 1125 N VAL A 75 9.540 2.202 -2.619 1.00 0.00 N ATOM 1126 CA VAL A 75 9.612 1.934 -1.184 1.00 0.00 C ATOM 1127 C VAL A 75 9.610 0.430 -0.931 1.00 0.00 C ATOM 1128 O VAL A 75 10.189 -0.050 0.043 1.00 0.00 O ATOM 1129 CB VAL A 75 8.452 2.597 -0.399 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.036 3.904 -1.051 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.259 1.660 -0.272 1.00 0.00 C ATOM 0 H VAL A 75 8.736 2.759 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 75 10.543 2.371 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 75 8.816 2.812 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.220 4.351 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.884 4.588 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.704 3.712 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.464 2.157 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.897 1.395 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.561 0.756 0.257 1.00 0.00 H new ATOM 1141 N LEU A 76 8.966 -0.304 -1.832 1.00 0.00 N ATOM 1142 CA LEU A 76 8.898 -1.754 -1.736 1.00 0.00 C ATOM 1143 C LEU A 76 10.262 -2.369 -2.022 1.00 0.00 C ATOM 1144 O LEU A 76 10.760 -3.187 -1.250 1.00 0.00 O ATOM 1145 CB LEU A 76 7.856 -2.295 -2.721 1.00 0.00 C ATOM 1146 CG LEU A 76 7.612 -3.809 -2.677 1.00 0.00 C ATOM 1147 CD1 LEU A 76 8.613 -4.536 -3.561 1.00 0.00 C ATOM 1148 CD2 LEU A 76 7.674 -4.333 -1.248 1.00 0.00 C ATOM 0 H LEU A 76 8.482 0.086 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 76 8.602 -2.025 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.909 -1.789 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.166 -2.026 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 76 6.610 -4.001 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.425 -5.609 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.508 -4.191 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.624 -4.330 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.497 -5.409 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.658 -4.126 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.911 -3.840 -0.646 1.00 0.00 H new ATOM 1160 N GLN A 77 10.859 -1.967 -3.140 1.00 0.00 N ATOM 1161 CA GLN A 77 12.174 -2.463 -3.525 1.00 0.00 C ATOM 1162 C GLN A 77 13.197 -2.160 -2.437 1.00 0.00 C ATOM 1163 O GLN A 77 14.105 -2.952 -2.183 1.00 0.00 O ATOM 1164 CB GLN A 77 12.611 -1.833 -4.850 1.00 0.00 C ATOM 1165 CG GLN A 77 11.984 -2.485 -6.073 1.00 0.00 C ATOM 1166 CD GLN A 77 12.558 -3.857 -6.362 1.00 0.00 C ATOM 1167 OE1 GLN A 77 13.631 -3.983 -6.953 1.00 0.00 O ATOM 1168 NE2 GLN A 77 11.843 -4.897 -5.948 1.00 0.00 N ATOM 0 H GLN A 77 10.452 -1.299 -3.795 1.00 0.00 H new ATOM 0 HA GLN A 77 12.112 -3.544 -3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.353 -0.774 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.696 -1.896 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.908 -2.570 -5.923 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.135 -1.842 -6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.959 -4.747 -5.462 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.178 -5.846 -6.116 1.00 0.00 H new ATOM 1177 N ALA A 78 13.035 -1.009 -1.791 1.00 0.00 N ATOM 1178 CA ALA A 78 13.928 -0.599 -0.714 1.00 0.00 C ATOM 1179 C ALA A 78 13.543 -1.270 0.601 1.00 0.00 C ATOM 1180 O ALA A 78 14.337 -1.316 1.541 1.00 0.00 O ATOM 1181 CB ALA A 78 13.913 0.914 -0.562 1.00 0.00 C ATOM 0 H ALA A 78 12.291 -0.342 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 78 14.939 -0.915 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.584 1.205 0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.243 1.376 -1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.901 1.246 -0.330 1.00 0.00 H new ATOM 1187 N HIS A 79 12.317 -1.781 0.662 1.00 0.00 N ATOM 1188 CA HIS A 79 11.825 -2.447 1.863 1.00 0.00 C ATOM 1189 C HIS A 79 12.539 -3.776 2.081 1.00 0.00 C ATOM 1190 O HIS A 79 13.212 -3.972 3.092 1.00 0.00 O ATOM 1191 CB HIS A 79 10.313 -2.675 1.767 1.00 0.00 C ATOM 1192 CG HIS A 79 9.723 -3.317 2.985 1.00 0.00 C ATOM 1193 ND1 HIS A 79 9.457 -4.664 3.026 1.00 0.00 N ATOM 1194 CD2 HIS A 79 9.369 -2.758 4.168 1.00 0.00 C ATOM 1195 CE1 HIS A 79 8.951 -4.898 4.224 1.00 0.00 C ATOM 1196 NE2 HIS A 79 8.879 -3.772 4.950 1.00 0.00 N ATOM 0 H HIS A 79 11.646 -1.747 -0.106 1.00 0.00 H new ATOM 0 HA HIS A 79 12.033 -1.800 2.715 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.820 -1.718 1.597 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.103 -3.301 0.899 1.00 0.00 H new ATOM 0 HD1 HIS A 79 9.617 -5.345 2.283 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.456 -1.717 4.441 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.636 -5.870 4.574 1.00 0.00 H new ATOM 1538 N ASN B 5 10.345 6.261 2.452 1.00 0.00 N ATOM 1539 CA ASN B 5 10.434 7.155 1.302 1.00 0.00 C ATOM 1540 C ASN B 5 9.279 8.153 1.297 1.00 0.00 C ATOM 1541 O ASN B 5 9.425 9.285 1.758 1.00 0.00 O ATOM 1542 CB ASN B 5 10.434 6.348 0.002 1.00 0.00 C ATOM 1543 CG ASN B 5 11.825 5.898 -0.399 1.00 0.00 C ATOM 1544 OD1 ASN B 5 12.353 6.320 -1.429 1.00 0.00 O ATOM 1545 ND2 ASN B 5 12.426 5.036 0.411 1.00 0.00 N ATOM 0 HA ASN B 5 11.369 7.711 1.376 1.00 0.00 H new ATOM 0 HB2 ASN B 5 9.792 5.475 0.120 1.00 0.00 H new ATOM 0 HB3 ASN B 5 10.006 6.952 -0.798 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.362 4.697 0.191 1.00 0.00 H new ATOM 0 HD22 ASN B 5 11.952 4.713 1.254 1.00 0.00 H new ATOM 1552 N LEU B 6 8.132 7.728 0.773 1.00 0.00 N ATOM 1553 CA LEU B 6 6.954 8.587 0.720 1.00 0.00 C ATOM 1554 C LEU B 6 6.497 8.957 2.126 1.00 0.00 C ATOM 1555 O LEU B 6 6.799 10.042 2.622 1.00 0.00 O ATOM 1556 CB LEU B 6 5.819 7.886 -0.032 1.00 0.00 C ATOM 1557 CG LEU B 6 5.569 8.397 -1.453 1.00 0.00 C ATOM 1558 CD1 LEU B 6 4.620 7.465 -2.190 1.00 0.00 C ATOM 1559 CD2 LEU B 6 5.012 9.812 -1.424 1.00 0.00 C ATOM 0 H LEU B 6 7.994 6.797 0.380 1.00 0.00 H new ATOM 0 HA LEU B 6 7.220 9.501 0.188 1.00 0.00 H new ATOM 0 HB2 LEU B 6 6.040 6.820 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.900 7.996 0.544 1.00 0.00 H new ATOM 0 HG LEU B 6 6.520 8.416 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.451 7.841 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.057 6.468 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.670 7.417 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.841 10.157 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.070 9.821 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.725 10.474 -0.932 1.00 0.00 H new ATOM 1571 N ASN B 7 5.780 8.040 2.770 1.00 0.00 N ATOM 1572 CA ASN B 7 5.305 8.263 4.129 1.00 0.00 C ATOM 1573 C ASN B 7 6.449 8.120 5.126 1.00 0.00 C ATOM 1574 O ASN B 7 7.307 7.251 4.974 1.00 0.00 O ATOM 1575 CB ASN B 7 4.206 7.261 4.479 1.00 0.00 C ATOM 1576 CG ASN B 7 3.170 7.841 5.420 1.00 0.00 C ATOM 1577 OD1 ASN B 7 3.331 7.575 6.711 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 2.234 8.519 4.993 1.00 0.00 N flip ATOM 0 H ASN B 7 5.517 7.138 2.372 1.00 0.00 H new ATOM 0 HA ASN B 7 4.904 9.275 4.185 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.716 6.930 3.564 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.655 6.380 4.937 1.00 0.00 H new ATOM 0 HD21 ASN B 7 2.149 8.699 3.993 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.544 8.901 5.640 1.00 0.00 H new ATOM 1585 N PRO B 8 6.472 8.956 6.176 1.00 0.00 N ATOM 1586 CA PRO B 8 7.514 8.897 7.199 1.00 0.00 C ATOM 1587 C PRO B 8 7.273 7.774 8.199 1.00 0.00 C ATOM 1588 O PRO B 8 8.143 7.451 9.010 1.00 0.00 O ATOM 1589 CB PRO B 8 7.398 10.257 7.883 1.00 0.00 C ATOM 1590 CG PRO B 8 5.955 10.610 7.759 1.00 0.00 C ATOM 1591 CD PRO B 8 5.489 10.024 6.451 1.00 0.00 C ATOM 0 HA PRO B 8 8.499 8.696 6.778 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.706 10.205 8.927 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.032 11.000 7.400 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.382 10.205 8.593 1.00 0.00 H new ATOM 0 HG3 PRO B 8 5.816 11.691 7.773 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.477 9.627 6.528 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.478 10.772 5.658 1.00 0.00 H new ATOM 1599 N ASN B 9 6.073 7.202 8.156 1.00 0.00 N ATOM 1600 CA ASN B 9 5.708 6.118 9.061 1.00 0.00 C ATOM 1601 C ASN B 9 5.254 4.885 8.288 1.00 0.00 C ATOM 1602 O ASN B 9 4.105 4.457 8.401 1.00 0.00 O ATOM 1603 CB ASN B 9 4.605 6.576 10.016 1.00 0.00 C ATOM 1604 CG ASN B 9 5.015 7.782 10.838 1.00 0.00 C ATOM 1605 OD1 ASN B 9 6.201 8.020 11.065 1.00 0.00 O ATOM 1606 ND2 ASN B 9 4.032 8.552 11.288 1.00 0.00 N ATOM 0 H ASN B 9 5.337 7.472 7.503 1.00 0.00 H new ATOM 0 HA ASN B 9 6.592 5.849 9.639 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.710 6.818 9.443 1.00 0.00 H new ATOM 0 HB3 ASN B 9 4.344 5.756 10.685 1.00 0.00 H new ATOM 0 HD21 ASN B 9 4.246 9.379 11.846 1.00 0.00 H new ATOM 0 HD22 ASN B 9 3.062 8.317 11.076 1.00 0.00 H new ATOM 1613 N ALA B 10 6.148 4.345 7.467 1.00 0.00 N ATOM 1614 CA ALA B 10 5.846 3.157 6.676 1.00 0.00 C ATOM 1615 C ALA B 10 5.506 1.961 7.564 1.00 0.00 C ATOM 1616 O ALA B 10 6.398 1.249 8.027 1.00 0.00 O ATOM 1617 CB ALA B 10 7.015 2.822 5.763 1.00 0.00 C ATOM 0 H ALA B 10 7.090 4.712 7.332 1.00 0.00 H new ATOM 0 HA ALA B 10 4.969 3.377 6.067 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.777 1.934 5.178 1.00 0.00 H new ATOM 0 HB2 ALA B 10 7.203 3.659 5.091 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.904 2.633 6.365 1.00 0.00 H new ATOM 1623 N LYS B 11 4.213 1.731 7.782 1.00 0.00 N ATOM 1624 CA LYS B 11 3.762 0.598 8.586 1.00 0.00 C ATOM 1625 C LYS B 11 2.824 -0.288 7.775 1.00 0.00 C ATOM 1626 O LYS B 11 1.863 0.199 7.188 1.00 0.00 O ATOM 1627 CB LYS B 11 3.051 1.077 9.854 1.00 0.00 C ATOM 1628 CG LYS B 11 3.576 2.395 10.391 1.00 0.00 C ATOM 1629 CD LYS B 11 4.456 2.192 11.614 1.00 0.00 C ATOM 1630 CE LYS B 11 3.740 2.595 12.893 1.00 0.00 C ATOM 1631 NZ LYS B 11 3.178 3.972 12.805 1.00 0.00 N ATOM 0 H LYS B 11 3.461 2.313 7.414 1.00 0.00 H new ATOM 0 HA LYS B 11 4.640 0.021 8.875 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.986 1.179 9.645 1.00 0.00 H new ATOM 0 HB3 LYS B 11 3.153 0.315 10.626 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.145 2.904 9.613 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.738 3.043 10.649 1.00 0.00 H new ATOM 0 HD2 LYS B 11 4.755 1.146 11.678 1.00 0.00 H new ATOM 0 HD3 LYS B 11 5.369 2.778 11.507 1.00 0.00 H new ATOM 0 HE2 LYS B 11 2.937 1.887 13.098 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.435 2.539 13.731 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.958 4.319 13.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 3.874 4.603 12.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 2.309 3.956 12.234 1.00 0.00 H new ATOM 1645 N GLU B 12 3.110 -1.588 7.757 1.00 0.00 N ATOM 1646 CA GLU B 12 2.312 -2.554 7.002 1.00 0.00 C ATOM 1647 C GLU B 12 0.813 -2.385 7.254 1.00 0.00 C ATOM 1648 O GLU B 12 0.397 -1.634 8.136 1.00 0.00 O ATOM 1649 CB GLU B 12 2.737 -3.978 7.369 1.00 0.00 C ATOM 1650 CG GLU B 12 2.562 -4.979 6.239 1.00 0.00 C ATOM 1651 CD GLU B 12 3.400 -6.229 6.430 1.00 0.00 C ATOM 1652 OE1 GLU B 12 4.297 -6.217 7.300 1.00 0.00 O ATOM 1653 OE2 GLU B 12 3.160 -7.220 5.709 1.00 0.00 O ATOM 0 H GLU B 12 3.895 -2.000 8.261 1.00 0.00 H new ATOM 0 HA GLU B 12 2.493 -2.371 5.943 1.00 0.00 H new ATOM 0 HB2 GLU B 12 3.783 -3.968 7.675 1.00 0.00 H new ATOM 0 HB3 GLU B 12 2.157 -4.310 8.230 1.00 0.00 H new ATOM 0 HG2 GLU B 12 1.511 -5.259 6.166 1.00 0.00 H new ATOM 0 HG3 GLU B 12 2.832 -4.506 5.295 1.00 0.00 H new ATOM 1660 N PHE B 13 0.010 -3.135 6.502 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.440 -3.087 6.643 1.00 0.00 C ATOM 1662 C PHE B 13 -1.886 -4.058 7.722 1.00 0.00 C ATOM 1663 O PHE B 13 -2.131 -5.235 7.459 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.113 -3.443 5.315 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.417 -2.730 5.057 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.079 -2.049 6.071 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -3.991 -2.758 3.793 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.277 -1.406 5.827 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.190 -2.119 3.545 1.00 0.00 C ATOM 1670 CZ PHE B 13 -5.829 -1.436 4.561 1.00 0.00 C ATOM 0 H PHE B 13 0.342 -3.784 5.788 1.00 0.00 H new ATOM 0 HA PHE B 13 -1.732 -2.076 6.927 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.424 -3.216 4.502 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.292 -4.518 5.291 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.652 -2.022 7.062 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.493 -3.286 2.993 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.781 -0.881 6.625 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.627 -2.153 2.558 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.760 -0.925 4.366 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.376 2.604 9.534 1.00 0.00 N ATOM 1734 CA LYS B 18 -8.890 3.834 8.918 1.00 0.00 C ATOM 1735 C LYS B 18 -7.526 4.216 9.484 1.00 0.00 C ATOM 1736 O LYS B 18 -7.433 4.951 10.468 1.00 0.00 O ATOM 1737 CB LYS B 18 -9.885 4.975 9.143 1.00 0.00 C ATOM 1738 CG LYS B 18 -11.326 4.601 8.836 1.00 0.00 C ATOM 1739 CD LYS B 18 -12.131 5.808 8.383 1.00 0.00 C ATOM 1740 CE LYS B 18 -13.408 5.393 7.670 1.00 0.00 C ATOM 1741 NZ LYS B 18 -14.602 6.096 8.214 1.00 0.00 N ATOM 0 HA LYS B 18 -8.789 3.660 7.847 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.818 5.304 10.180 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -9.599 5.823 8.520 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -11.347 3.836 8.059 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.787 4.167 9.723 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.380 6.425 9.246 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.524 6.421 7.717 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -13.315 5.607 6.605 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.545 4.316 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -15.452 5.785 7.701 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -14.706 5.872 9.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -14.484 7.123 8.097 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.470 3.701 8.861 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.109 3.973 9.307 1.00 0.00 C ATOM 1757 C TYR B 19 -4.628 5.326 8.795 1.00 0.00 C ATOM 1758 O TYR B 19 -4.448 5.519 7.593 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.168 2.860 8.831 1.00 0.00 C ATOM 1760 CG TYR B 19 -2.862 2.781 9.595 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -2.767 3.230 10.909 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -1.729 2.233 9.008 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -1.577 3.149 11.606 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -0.536 2.147 9.701 1.00 0.00 C ATOM 1765 CZ TYR B 19 -0.465 2.607 10.999 1.00 0.00 C ATOM 1766 OH TYR B 19 0.721 2.524 11.690 1.00 0.00 O ATOM 0 H TYR B 19 -6.532 3.092 8.045 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.104 4.002 10.397 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -4.683 1.903 8.915 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -3.949 3.012 7.774 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -3.638 3.649 11.392 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.781 1.868 7.993 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -1.518 3.509 12.623 1.00 0.00 H new ATOM 0 HE2 TYR B 19 0.337 1.721 9.228 1.00 0.00 H new ATOM 0 HH TYR B 19 1.078 1.614 11.619 1.00 0.00 H new