USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 694 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 53 GLN : amide:sc= -1.43! C(o=-2.7!,f=-4.5!) USER MOD Set 1.2: A 61 TYR OH : rot -76:sc= -1.27! USER MOD Single : A 17 ASN :FLIP amide:sc= -18.9! C(o=-22!,f=-19!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -1.54 F(o=-3.3!,f=-1.5) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -3.55! C(o=-6.3!,f=-3.5!) USER MOD Single : A 35 ASN :FLIP amide:sc= -5.74! C(o=-6.5!,f=-5.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.947 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 32:sc= 0.355 USER MOD Single : A 51 LYS NZ :NH3+ 155:sc= -0.506 (180deg=-0.809) USER MOD Single : A 52 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.45) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -1.58 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 167:sc= 0.29 USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= -0.0881 (180deg=-0.771) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -137:sc= -3.09 (180deg=-7.55!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.363 K(o=-0.36,f=-1) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 0.76 (180deg=0.65) USER MOD ----------------------------------------------------------------- ATOM 147 N GLU A 13 -12.304 -4.408 1.806 1.00 0.00 N ATOM 148 CA GLU A 13 -13.045 -3.492 2.649 1.00 0.00 C ATOM 149 C GLU A 13 -12.158 -2.319 3.046 1.00 0.00 C ATOM 150 O GLU A 13 -11.117 -2.507 3.671 1.00 0.00 O ATOM 151 CB GLU A 13 -13.546 -4.234 3.885 1.00 0.00 C ATOM 152 CG GLU A 13 -14.991 -3.835 4.165 1.00 0.00 C ATOM 153 CD GLU A 13 -15.245 -3.731 5.662 1.00 0.00 C ATOM 154 OE1 GLU A 13 -15.254 -4.798 6.313 1.00 0.00 O ATOM 155 OE2 GLU A 13 -15.427 -2.585 6.128 1.00 0.00 O ATOM 0 HA GLU A 13 -13.903 -3.102 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.478 -5.311 3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.919 -3.997 4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.208 -2.879 3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.667 -4.570 3.728 1.00 0.00 H new ATOM 162 N PRO A 14 -12.577 -1.106 2.680 1.00 0.00 N ATOM 163 CA PRO A 14 -11.869 0.122 2.971 1.00 0.00 C ATOM 164 C PRO A 14 -11.996 0.447 4.453 1.00 0.00 C ATOM 165 O PRO A 14 -12.927 -0.009 5.113 1.00 0.00 O ATOM 166 CB PRO A 14 -12.559 1.184 2.117 1.00 0.00 C ATOM 167 CG PRO A 14 -13.993 0.664 2.024 1.00 0.00 C ATOM 168 CD PRO A 14 -13.796 -0.849 1.945 1.00 0.00 C ATOM 0 HA PRO A 14 -10.804 0.060 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.515 2.169 2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -12.097 1.275 1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.585 0.951 2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -14.508 1.052 1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.641 -1.381 2.383 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.711 -1.183 0.911 1.00 0.00 H new ATOM 176 N VAL A 15 -11.055 1.237 4.976 1.00 0.00 N ATOM 177 CA VAL A 15 -11.066 1.617 6.374 1.00 0.00 C ATOM 178 C VAL A 15 -10.145 2.809 6.590 1.00 0.00 C ATOM 179 O VAL A 15 -9.610 3.366 5.634 1.00 0.00 O ATOM 180 CB VAL A 15 -10.623 0.429 7.226 1.00 0.00 C ATOM 181 CG1 VAL A 15 -9.104 0.299 7.165 1.00 0.00 C ATOM 182 CG2 VAL A 15 -11.057 0.652 8.672 1.00 0.00 C ATOM 0 H VAL A 15 -10.276 1.623 4.442 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.075 1.904 6.670 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.081 -0.484 6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.787 -0.548 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.794 0.141 6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.645 1.211 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.742 -0.195 9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.598 1.564 9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.142 0.746 8.716 1.00 0.00 H new ATOM 192 N GLY A 16 -9.961 3.201 7.853 1.00 0.00 N ATOM 193 CA GLY A 16 -9.107 4.325 8.184 1.00 0.00 C ATOM 194 C GLY A 16 -7.657 3.874 8.283 1.00 0.00 C ATOM 195 O GLY A 16 -7.232 2.973 7.561 1.00 0.00 O ATOM 0 H GLY A 16 -10.396 2.751 8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.203 5.100 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.424 4.765 9.130 1.00 0.00 H new ATOM 199 N ASN A 17 -6.895 4.503 9.180 1.00 0.00 N ATOM 200 CA ASN A 17 -5.499 4.165 9.367 1.00 0.00 C ATOM 201 C ASN A 17 -4.806 5.253 10.174 1.00 0.00 C ATOM 202 O ASN A 17 -3.831 4.987 10.875 1.00 0.00 O ATOM 203 CB ASN A 17 -4.831 3.993 8.006 1.00 0.00 C ATOM 204 CG ASN A 17 -5.460 4.916 6.972 1.00 0.00 C ATOM 205 OD1 ASN A 17 -5.382 4.527 5.697 1.00 0.00 O flip ATOM 206 ND2 ASN A 17 -6.005 5.962 7.320 1.00 0.00 N flip ATOM 0 H ASN A 17 -7.231 5.251 9.786 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.420 3.228 9.917 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.765 4.207 8.090 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.924 2.957 7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.039 6.215 8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.423 6.576 6.621 1.00 0.00 H new ATOM 213 N GLU A 18 -5.311 6.485 10.074 1.00 0.00 N ATOM 214 CA GLU A 18 -4.739 7.605 10.794 1.00 0.00 C ATOM 215 C GLU A 18 -4.413 7.192 12.223 1.00 0.00 C ATOM 216 O GLU A 18 -3.436 7.662 12.800 1.00 0.00 O ATOM 217 CB GLU A 18 -5.724 8.772 10.781 1.00 0.00 C ATOM 218 CG GLU A 18 -5.913 9.260 9.347 1.00 0.00 C ATOM 219 CD GLU A 18 -5.202 10.588 9.128 1.00 0.00 C ATOM 220 OE1 GLU A 18 -5.725 11.603 9.635 1.00 0.00 O ATOM 221 OE2 GLU A 18 -4.149 10.562 8.454 1.00 0.00 O ATOM 0 H GLU A 18 -6.118 6.724 9.497 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.815 7.918 10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.681 8.459 11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.352 9.583 11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.525 8.516 8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.976 9.372 9.134 1.00 0.00 H new ATOM 228 N ASN A 19 -5.236 6.308 12.791 1.00 0.00 N ATOM 229 CA ASN A 19 -5.031 5.835 14.145 1.00 0.00 C ATOM 230 C ASN A 19 -4.347 4.474 14.122 1.00 0.00 C ATOM 231 O ASN A 19 -3.758 4.055 15.115 1.00 0.00 O ATOM 232 CB ASN A 19 -6.375 5.753 14.863 1.00 0.00 C ATOM 233 CG ASN A 19 -6.475 6.812 15.951 1.00 0.00 C ATOM 234 OD1 ASN A 19 -6.607 6.484 17.129 1.00 0.00 O ATOM 235 ND2 ASN A 19 -6.411 8.086 15.556 1.00 0.00 N ATOM 0 H ASN A 19 -6.051 5.909 12.325 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.388 6.532 14.683 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.184 5.886 14.145 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.498 4.763 15.302 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.472 8.837 16.244 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.301 8.308 14.567 1.00 0.00 H new ATOM 242 N ASP A 20 -4.429 3.786 12.982 1.00 0.00 N ATOM 243 CA ASP A 20 -3.821 2.479 12.832 1.00 0.00 C ATOM 244 C ASP A 20 -2.386 2.630 12.351 1.00 0.00 C ATOM 245 O ASP A 20 -2.134 2.638 11.145 1.00 0.00 O ATOM 246 CB ASP A 20 -4.639 1.648 11.848 1.00 0.00 C ATOM 247 CG ASP A 20 -6.117 2.002 11.932 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.525 2.474 13.015 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.810 1.793 10.914 1.00 0.00 O ATOM 0 H ASP A 20 -4.915 4.121 12.150 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.807 1.967 13.794 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.278 1.819 10.834 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.503 0.588 12.061 1.00 0.00 H new ATOM 254 N LEU A 21 -1.449 2.751 13.291 1.00 0.00 N ATOM 255 CA LEU A 21 -0.033 2.915 12.965 1.00 0.00 C ATOM 256 C LEU A 21 0.437 1.899 11.921 1.00 0.00 C ATOM 257 O LEU A 21 1.130 2.255 10.968 1.00 0.00 O ATOM 258 CB LEU A 21 0.807 2.780 14.239 1.00 0.00 C ATOM 259 CG LEU A 21 0.682 1.418 14.955 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.031 0.709 15.035 1.00 0.00 C ATOM 261 CD2 LEU A 21 0.094 1.589 16.350 1.00 0.00 C ATOM 0 H LEU A 21 -1.648 2.738 14.291 1.00 0.00 H new ATOM 0 HA LEU A 21 0.097 3.909 12.537 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.854 2.947 13.986 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.517 3.568 14.934 1.00 0.00 H new ATOM 0 HG LEU A 21 0.006 0.799 14.366 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.910 -0.247 15.544 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.412 0.538 14.028 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.736 1.329 15.589 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.016 0.615 16.834 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.741 2.237 16.941 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.897 2.037 16.275 1.00 0.00 H new ATOM 273 N HIS A 22 0.053 0.634 12.120 1.00 0.00 N ATOM 274 CA HIS A 22 0.413 -0.452 11.207 1.00 0.00 C ATOM 275 C HIS A 22 0.060 -0.075 9.756 1.00 0.00 C ATOM 276 O HIS A 22 0.909 -0.209 8.873 1.00 0.00 O ATOM 277 CB HIS A 22 -0.287 -1.752 11.623 1.00 0.00 C ATOM 278 CG HIS A 22 -0.074 -2.872 10.652 1.00 0.00 C ATOM 279 ND1 HIS A 22 -0.075 -2.885 9.297 1.00 0.00 N flip ATOM 280 CD2 HIS A 22 0.186 -4.168 11.045 1.00 0.00 C flip ATOM 281 CE1 HIS A 22 0.182 -4.177 8.904 1.00 0.00 C flip ATOM 282 NE2 HIS A 22 0.336 -4.931 9.975 1.00 0.00 N flip ATOM 0 H HIS A 22 -0.513 0.337 12.915 1.00 0.00 H new ATOM 0 HA HIS A 22 1.490 -0.613 11.262 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.078 -2.056 12.604 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.356 -1.565 11.724 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.256 -4.507 12.068 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.247 -4.520 7.882 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.536 -5.931 9.978 1.00 0.00 H new ATOM 291 N LEU A 23 -1.172 0.373 9.517 1.00 0.00 N ATOM 292 CA LEU A 23 -1.626 0.735 8.175 1.00 0.00 C ATOM 293 C LEU A 23 -0.687 1.743 7.506 1.00 0.00 C ATOM 294 O LEU A 23 -0.156 1.496 6.425 1.00 0.00 O ATOM 295 CB LEU A 23 -3.042 1.312 8.249 1.00 0.00 C ATOM 296 CG LEU A 23 -4.126 0.310 8.698 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.863 -0.283 7.501 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.521 -0.803 9.546 1.00 0.00 C ATOM 0 H LEU A 23 -1.879 0.495 10.242 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.624 -0.170 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.040 2.156 8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.312 1.702 7.268 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.846 0.859 9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.620 -0.985 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.343 0.517 6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.153 -0.805 6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.305 -1.496 9.850 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.770 -1.337 8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.054 -0.373 10.432 1.00 0.00 H new ATOM 310 N VAL A 24 -0.493 2.889 8.164 1.00 0.00 N ATOM 311 CA VAL A 24 0.366 3.934 7.644 1.00 0.00 C ATOM 312 C VAL A 24 1.753 3.370 7.370 1.00 0.00 C ATOM 313 O VAL A 24 2.345 3.652 6.331 1.00 0.00 O ATOM 314 CB VAL A 24 0.436 5.080 8.650 1.00 0.00 C ATOM 315 CG1 VAL A 24 1.747 5.839 8.464 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.738 6.028 8.421 1.00 0.00 C ATOM 0 H VAL A 24 -0.925 3.109 9.061 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.041 4.315 6.707 1.00 0.00 H new ATOM 0 HB VAL A 24 0.388 4.680 9.663 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.798 6.658 9.182 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.586 5.162 8.625 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.795 6.240 7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.690 6.847 9.139 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.690 6.429 7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.674 5.486 8.552 1.00 0.00 H new ATOM 326 N ASP A 25 2.270 2.572 8.307 1.00 0.00 N ATOM 327 CA ASP A 25 3.583 1.975 8.162 1.00 0.00 C ATOM 328 C ASP A 25 3.746 1.427 6.751 1.00 0.00 C ATOM 329 O ASP A 25 4.783 1.636 6.120 1.00 0.00 O ATOM 330 CB ASP A 25 3.753 0.866 9.196 1.00 0.00 C ATOM 331 CG ASP A 25 5.189 0.362 9.221 1.00 0.00 C ATOM 332 OD1 ASP A 25 5.589 -0.260 8.213 1.00 0.00 O ATOM 333 OD2 ASP A 25 5.860 0.609 10.246 1.00 0.00 O ATOM 0 H ASP A 25 1.791 2.329 9.174 1.00 0.00 H new ATOM 0 HA ASP A 25 4.352 2.730 8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.477 1.238 10.183 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.078 0.042 8.965 1.00 0.00 H new ATOM 338 N LEU A 26 2.724 0.727 6.260 1.00 0.00 N ATOM 339 CA LEU A 26 2.754 0.134 4.922 1.00 0.00 C ATOM 340 C LEU A 26 2.961 1.189 3.833 1.00 0.00 C ATOM 341 O LEU A 26 3.865 1.079 3.008 1.00 0.00 O ATOM 342 CB LEU A 26 1.450 -0.628 4.669 1.00 0.00 C ATOM 343 CG LEU A 26 1.135 -1.732 5.700 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.844 -3.065 5.015 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.279 -1.891 6.695 1.00 0.00 C ATOM 0 H LEU A 26 1.859 0.555 6.772 1.00 0.00 H new ATOM 0 HA LEU A 26 3.600 -0.552 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.625 0.085 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.495 -1.079 3.678 1.00 0.00 H new ATOM 0 HG LEU A 26 0.241 -1.425 6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.626 -3.822 5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.015 -2.954 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.713 -3.372 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.032 -2.675 7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.190 -2.161 6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.433 -0.951 7.225 1.00 0.00 H new ATOM 357 N ALA A 27 2.105 2.213 3.840 1.00 0.00 N ATOM 358 CA ALA A 27 2.181 3.280 2.861 1.00 0.00 C ATOM 359 C ALA A 27 3.521 3.991 2.978 1.00 0.00 C ATOM 360 O ALA A 27 4.223 4.166 1.984 1.00 0.00 O ATOM 361 CB ALA A 27 1.029 4.256 3.083 1.00 0.00 C ATOM 0 H ALA A 27 1.351 2.319 4.519 1.00 0.00 H new ATOM 0 HA ALA A 27 2.099 2.865 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.085 5.059 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.080 3.730 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.097 4.677 4.086 1.00 0.00 H new ATOM 367 N ARG A 28 3.876 4.403 4.197 1.00 0.00 N ATOM 368 CA ARG A 28 5.126 5.094 4.438 1.00 0.00 C ATOM 369 C ARG A 28 6.293 4.201 4.041 1.00 0.00 C ATOM 370 O ARG A 28 7.335 4.691 3.609 1.00 0.00 O ATOM 371 CB ARG A 28 5.218 5.478 5.912 1.00 0.00 C ATOM 372 CG ARG A 28 4.613 6.865 6.115 1.00 0.00 C ATOM 373 CD ARG A 28 5.611 7.753 6.852 1.00 0.00 C ATOM 374 NE ARG A 28 5.245 7.896 8.261 1.00 0.00 N ATOM 375 CZ ARG A 28 4.405 8.844 8.700 1.00 0.00 C ATOM 376 NH1 ARG A 28 3.861 9.710 7.835 1.00 0.00 N ATOM 377 NH2 ARG A 28 4.110 8.926 10.004 1.00 0.00 N ATOM 0 H ARG A 28 3.306 4.265 5.031 1.00 0.00 H new ATOM 0 HA ARG A 28 5.166 6.002 3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.690 4.746 6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.259 5.472 6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.359 7.307 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.687 6.790 6.685 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.611 7.325 6.774 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.647 8.735 6.380 1.00 0.00 H new ATOM 0 HE ARG A 28 5.646 7.247 8.938 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.086 9.648 6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.222 10.431 8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.525 8.267 10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.471 9.647 10.338 1.00 0.00 H new ATOM 391 N PHE A 29 6.117 2.886 4.186 1.00 0.00 N ATOM 392 CA PHE A 29 7.153 1.934 3.842 1.00 0.00 C ATOM 393 C PHE A 29 7.387 1.947 2.337 1.00 0.00 C ATOM 394 O PHE A 29 8.518 2.108 1.884 1.00 0.00 O ATOM 395 CB PHE A 29 6.743 0.543 4.314 1.00 0.00 C ATOM 396 CG PHE A 29 7.428 -0.575 3.565 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.817 -0.555 3.396 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.674 -1.632 3.042 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.452 -1.593 2.703 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.309 -2.670 2.349 1.00 0.00 C ATOM 401 CZ PHE A 29 8.698 -2.650 2.179 1.00 0.00 C ATOM 0 H PHE A 29 5.260 2.463 4.542 1.00 0.00 H new ATOM 0 HA PHE A 29 8.084 2.210 4.337 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.967 0.448 5.376 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.664 0.435 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.399 0.260 3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.602 -1.647 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.524 -1.578 2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.727 -3.486 1.946 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.188 -3.450 1.644 1.00 0.00 H new ATOM 411 N ALA A 30 6.313 1.777 1.564 1.00 0.00 N ATOM 412 CA ALA A 30 6.405 1.768 0.117 1.00 0.00 C ATOM 413 C ALA A 30 7.328 2.887 -0.346 1.00 0.00 C ATOM 414 O ALA A 30 8.388 2.625 -0.908 1.00 0.00 O ATOM 415 CB ALA A 30 5.011 1.933 -0.481 1.00 0.00 C ATOM 0 H ALA A 30 5.369 1.644 1.925 1.00 0.00 H new ATOM 0 HA ALA A 30 6.820 0.818 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.079 1.926 -1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.374 1.112 -0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.583 2.879 -0.150 1.00 0.00 H new ATOM 421 N VAL A 31 6.919 4.136 -0.109 1.00 0.00 N ATOM 422 CA VAL A 31 7.708 5.285 -0.503 1.00 0.00 C ATOM 423 C VAL A 31 9.178 5.026 -0.209 1.00 0.00 C ATOM 424 O VAL A 31 10.036 5.265 -1.057 1.00 0.00 O ATOM 425 CB VAL A 31 7.216 6.520 0.246 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.757 7.776 -0.430 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.691 6.550 0.230 1.00 0.00 C ATOM 0 H VAL A 31 6.041 4.368 0.356 1.00 0.00 H new ATOM 0 HA VAL A 31 7.597 5.458 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 31 7.568 6.483 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.405 8.658 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.847 7.755 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.406 7.814 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.339 7.432 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.339 6.586 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.304 5.653 0.714 1.00 0.00 H new ATOM 437 N THR A 32 9.470 4.535 0.998 1.00 0.00 N ATOM 438 CA THR A 32 10.834 4.247 1.393 1.00 0.00 C ATOM 439 C THR A 32 11.423 3.180 0.483 1.00 0.00 C ATOM 440 O THR A 32 12.406 3.425 -0.215 1.00 0.00 O ATOM 441 CB THR A 32 10.854 3.787 2.848 1.00 0.00 C ATOM 442 OG1 THR A 32 10.699 4.903 3.696 1.00 0.00 O ATOM 443 CG2 THR A 32 12.184 3.102 3.147 1.00 0.00 C ATOM 0 H THR A 32 8.772 4.331 1.714 1.00 0.00 H new ATOM 0 HA THR A 32 11.440 5.148 1.301 1.00 0.00 H new ATOM 0 HB THR A 32 10.038 3.085 3.018 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.710 4.608 4.630 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.198 2.773 4.186 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.304 2.239 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.001 3.803 2.977 1.00 0.00 H new ATOM 451 N GLU A 33 10.818 1.989 0.490 1.00 0.00 N ATOM 452 CA GLU A 33 11.285 0.893 -0.335 1.00 0.00 C ATOM 453 C GLU A 33 11.615 1.398 -1.733 1.00 0.00 C ATOM 454 O GLU A 33 12.732 1.203 -2.210 1.00 0.00 O ATOM 455 CB GLU A 33 10.212 -0.191 -0.392 1.00 0.00 C ATOM 456 CG GLU A 33 10.708 -1.354 -1.245 1.00 0.00 C ATOM 457 CD GLU A 33 11.262 -2.471 -0.373 1.00 0.00 C ATOM 458 OE1 GLU A 33 12.041 -2.139 0.546 1.00 0.00 O ATOM 459 OE2 GLU A 33 10.897 -3.636 -0.643 1.00 0.00 O ATOM 0 H GLU A 33 10.003 1.768 1.062 1.00 0.00 H new ATOM 0 HA GLU A 33 12.191 0.470 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.977 -0.538 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.292 0.215 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.890 -1.736 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.481 -1.004 -1.929 1.00 0.00 H new ATOM 466 N HIS A 34 10.641 2.046 -2.380 1.00 0.00 N ATOM 467 CA HIS A 34 10.819 2.599 -3.725 1.00 0.00 C ATOM 468 C HIS A 34 12.060 3.508 -3.772 1.00 0.00 C ATOM 469 O HIS A 34 12.902 3.339 -4.650 1.00 0.00 O ATOM 470 CB HIS A 34 9.561 3.359 -4.158 1.00 0.00 C ATOM 471 CG HIS A 34 9.556 3.709 -5.616 1.00 0.00 C ATOM 472 ND1 HIS A 34 10.541 4.176 -6.419 1.00 0.00 N flip ATOM 473 CD2 HIS A 34 8.440 3.581 -6.415 1.00 0.00 C flip ATOM 474 CE1 HIS A 34 10.006 4.318 -7.677 1.00 0.00 C flip ATOM 475 NE2 HIS A 34 8.739 3.951 -7.649 1.00 0.00 N flip ATOM 0 H HIS A 34 9.712 2.201 -1.988 1.00 0.00 H new ATOM 0 HA HIS A 34 10.977 1.778 -4.425 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.683 2.754 -3.933 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.476 4.274 -3.571 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.472 3.233 -6.085 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.537 4.673 -8.548 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.099 3.952 -8.443 1.00 0.00 H new ATOM 484 N ASN A 35 12.160 4.465 -2.845 1.00 0.00 N ATOM 485 CA ASN A 35 13.282 5.382 -2.814 1.00 0.00 C ATOM 486 C ASN A 35 14.579 4.607 -2.634 1.00 0.00 C ATOM 487 O ASN A 35 15.661 5.131 -2.888 1.00 0.00 O ATOM 488 CB ASN A 35 13.088 6.381 -1.678 1.00 0.00 C ATOM 489 CG ASN A 35 11.764 7.119 -1.823 1.00 0.00 C ATOM 490 OD1 ASN A 35 11.153 7.025 -3.007 1.00 0.00 O flip ATOM 491 ND2 ASN A 35 11.303 7.761 -0.882 1.00 0.00 N flip ATOM 0 H ASN A 35 11.471 4.618 -2.108 1.00 0.00 H new ATOM 0 HA ASN A 35 13.337 5.927 -3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.115 5.859 -0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.910 7.097 -1.674 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.808 7.802 0.003 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.415 8.252 -0.986 1.00 0.00 H new ATOM 498 N LYS A 36 14.468 3.352 -2.193 1.00 0.00 N ATOM 499 CA LYS A 36 15.630 2.511 -1.982 1.00 0.00 C ATOM 500 C LYS A 36 16.147 1.997 -3.319 1.00 0.00 C ATOM 501 O LYS A 36 17.338 2.094 -3.606 1.00 0.00 O ATOM 502 CB LYS A 36 15.256 1.350 -1.064 1.00 0.00 C ATOM 503 CG LYS A 36 16.447 1.002 -0.176 1.00 0.00 C ATOM 504 CD LYS A 36 16.038 1.111 1.290 1.00 0.00 C ATOM 505 CE LYS A 36 17.108 0.466 2.166 1.00 0.00 C ATOM 506 NZ LYS A 36 16.515 -0.515 3.088 1.00 0.00 N ATOM 0 H LYS A 36 13.579 2.902 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 36 16.422 3.091 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.397 1.620 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.964 0.483 -1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.794 -0.008 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.278 1.676 -0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.909 2.158 1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.078 0.619 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.851 -0.024 1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.630 1.236 2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.264 -0.939 3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.823 -0.040 3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.038 -1.261 2.542 1.00 0.00 H new ATOM 520 N LYS A 37 15.245 1.447 -4.135 1.00 0.00 N ATOM 521 CA LYS A 37 15.614 0.920 -5.435 1.00 0.00 C ATOM 522 C LYS A 37 15.499 2.013 -6.488 1.00 0.00 C ATOM 523 O LYS A 37 15.708 1.763 -7.673 1.00 0.00 O ATOM 524 CB LYS A 37 14.711 -0.259 -5.779 1.00 0.00 C ATOM 525 CG LYS A 37 13.266 0.221 -5.890 1.00 0.00 C ATOM 526 CD LYS A 37 12.780 0.048 -7.325 1.00 0.00 C ATOM 527 CE LYS A 37 11.349 -0.482 -7.318 1.00 0.00 C ATOM 528 NZ LYS A 37 11.202 -1.617 -8.244 1.00 0.00 N ATOM 0 H LYS A 37 14.254 1.359 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 37 16.648 0.575 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.028 -0.712 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.792 -1.029 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.630 -0.345 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.196 1.268 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.823 1.001 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.432 -0.642 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.078 -0.794 -6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.661 0.315 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.220 -1.959 -8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.439 -1.311 -9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.843 -2.384 -7.957 1.00 0.00 H new ATOM 542 N ALA A 38 15.165 3.230 -6.051 1.00 0.00 N ATOM 543 CA ALA A 38 15.022 4.354 -6.954 1.00 0.00 C ATOM 544 C ALA A 38 15.731 5.572 -6.379 1.00 0.00 C ATOM 545 O ALA A 38 15.468 6.699 -6.792 1.00 0.00 O ATOM 546 CB ALA A 38 13.539 4.645 -7.173 1.00 0.00 C ATOM 0 H ALA A 38 14.990 3.453 -5.071 1.00 0.00 H new ATOM 0 HA ALA A 38 15.477 4.113 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.431 5.491 -7.852 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.056 3.768 -7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.070 4.884 -6.218 1.00 0.00 H new ATOM 552 N ASN A 39 16.633 5.341 -5.422 1.00 0.00 N ATOM 553 CA ASN A 39 17.374 6.419 -4.798 1.00 0.00 C ATOM 554 C ASN A 39 16.442 7.584 -4.498 1.00 0.00 C ATOM 555 O ASN A 39 16.858 8.740 -4.527 1.00 0.00 O ATOM 556 CB ASN A 39 18.508 6.856 -5.720 1.00 0.00 C ATOM 557 CG ASN A 39 19.853 6.754 -5.015 1.00 0.00 C ATOM 558 OD1 ASN A 39 20.235 7.654 -4.271 1.00 0.00 O ATOM 559 ND2 ASN A 39 20.569 5.652 -5.250 1.00 0.00 N ATOM 0 H ASN A 39 16.862 4.412 -5.068 1.00 0.00 H new ATOM 0 HA ASN A 39 17.801 6.073 -3.857 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.514 6.234 -6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.341 7.883 -6.046 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.478 5.529 -4.803 1.00 0.00 H new ATOM 0 HD22 ASN A 39 20.207 4.933 -5.877 1.00 0.00 H new ATOM 566 N SER A 40 15.176 7.276 -4.209 1.00 0.00 N ATOM 567 CA SER A 40 14.192 8.296 -3.905 1.00 0.00 C ATOM 568 C SER A 40 13.760 8.996 -5.186 1.00 0.00 C ATOM 569 O SER A 40 14.515 9.033 -6.159 1.00 0.00 O ATOM 570 CB SER A 40 14.786 9.294 -2.916 1.00 0.00 C ATOM 571 OG SER A 40 15.572 8.607 -1.969 1.00 0.00 O ATOM 0 H SER A 40 14.815 6.322 -4.181 1.00 0.00 H new ATOM 0 HA SER A 40 13.313 7.836 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.394 10.028 -3.445 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.989 9.842 -2.414 1.00 0.00 H new ATOM 0 HG SER A 40 15.955 9.248 -1.335 1.00 0.00 H new ATOM 577 N LEU A 41 12.548 9.550 -5.183 1.00 0.00 N ATOM 578 CA LEU A 41 12.003 10.244 -6.349 1.00 0.00 C ATOM 579 C LEU A 41 10.861 11.190 -5.971 1.00 0.00 C ATOM 580 O LEU A 41 10.688 12.249 -6.577 1.00 0.00 O ATOM 581 CB LEU A 41 11.513 9.219 -7.375 1.00 0.00 C ATOM 582 CG LEU A 41 9.998 8.925 -7.325 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.545 8.140 -8.552 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.632 8.172 -6.052 1.00 0.00 C ATOM 0 H LEU A 41 11.921 9.531 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 41 12.801 10.849 -6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.767 9.576 -8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.055 8.286 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 41 9.478 9.883 -7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.474 7.949 -8.487 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.756 8.718 -9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.081 7.192 -8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.560 7.977 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.173 7.226 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.901 8.773 -5.184 1.00 0.00 H new ATOM 596 N LEU A 42 10.084 10.794 -4.964 1.00 0.00 N ATOM 597 CA LEU A 42 8.942 11.583 -4.501 1.00 0.00 C ATOM 598 C LEU A 42 9.040 11.908 -3.008 1.00 0.00 C ATOM 599 O LEU A 42 10.014 11.561 -2.345 1.00 0.00 O ATOM 600 CB LEU A 42 7.643 10.826 -4.786 1.00 0.00 C ATOM 601 CG LEU A 42 7.426 9.563 -3.924 1.00 0.00 C ATOM 602 CD1 LEU A 42 6.890 9.921 -2.541 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.484 8.586 -4.617 1.00 0.00 C ATOM 0 H LEU A 42 10.226 9.925 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 42 8.947 12.528 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.803 11.503 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.630 10.538 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 42 8.396 9.082 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.748 9.010 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.602 10.570 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.936 10.439 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.348 7.705 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.520 9.066 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.910 8.287 -5.575 1.00 0.00 H new ATOM 615 N GLU A 43 8.014 12.586 -2.488 1.00 0.00 N ATOM 616 CA GLU A 43 7.979 12.963 -1.090 1.00 0.00 C ATOM 617 C GLU A 43 6.572 12.783 -0.538 1.00 0.00 C ATOM 618 O GLU A 43 5.720 13.653 -0.704 1.00 0.00 O ATOM 619 CB GLU A 43 8.437 14.412 -0.942 1.00 0.00 C ATOM 620 CG GLU A 43 8.534 14.766 0.538 1.00 0.00 C ATOM 621 CD GLU A 43 9.730 15.671 0.802 1.00 0.00 C ATOM 622 OE1 GLU A 43 9.601 16.880 0.514 1.00 0.00 O ATOM 623 OE2 GLU A 43 10.749 15.136 1.289 1.00 0.00 O ATOM 0 H GLU A 43 7.198 12.882 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 43 8.653 12.322 -0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.405 14.550 -1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.735 15.079 -1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.619 15.264 0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.625 13.855 1.129 1.00 0.00 H new ATOM 630 N PHE A 44 6.331 11.648 0.122 1.00 0.00 N ATOM 631 CA PHE A 44 5.032 11.360 0.695 1.00 0.00 C ATOM 632 C PHE A 44 4.545 12.558 1.499 1.00 0.00 C ATOM 633 O PHE A 44 5.296 13.129 2.286 1.00 0.00 O ATOM 634 CB PHE A 44 5.130 10.119 1.578 1.00 0.00 C ATOM 635 CG PHE A 44 3.925 9.914 2.466 1.00 0.00 C ATOM 636 CD1 PHE A 44 3.827 10.600 3.683 1.00 0.00 C ATOM 637 CD2 PHE A 44 2.907 9.038 2.074 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.713 10.408 4.508 1.00 0.00 C ATOM 639 CE2 PHE A 44 1.792 8.845 2.898 1.00 0.00 C ATOM 640 CZ PHE A 44 1.695 9.531 4.114 1.00 0.00 C ATOM 0 H PHE A 44 7.027 10.917 0.268 1.00 0.00 H new ATOM 0 HA PHE A 44 4.314 11.167 -0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.258 9.241 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.021 10.195 2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.612 11.278 3.985 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.981 8.510 1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.639 10.936 5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.007 8.167 2.596 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.834 9.384 4.749 1.00 0.00 H new ATOM 650 N GLU A 45 3.280 12.938 1.300 1.00 0.00 N ATOM 651 CA GLU A 45 2.702 14.063 2.007 1.00 0.00 C ATOM 652 C GLU A 45 1.852 13.566 3.168 1.00 0.00 C ATOM 653 O GLU A 45 1.975 14.057 4.288 1.00 0.00 O ATOM 654 CB GLU A 45 1.864 14.894 1.040 1.00 0.00 C ATOM 655 CG GLU A 45 0.916 15.791 1.830 1.00 0.00 C ATOM 656 CD GLU A 45 0.918 17.207 1.272 1.00 0.00 C ATOM 657 OE1 GLU A 45 0.382 17.378 0.156 1.00 0.00 O ATOM 658 OE2 GLU A 45 1.455 18.092 1.972 1.00 0.00 O ATOM 0 H GLU A 45 2.642 12.476 0.652 1.00 0.00 H new ATOM 0 HA GLU A 45 3.498 14.690 2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.513 15.500 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.296 14.239 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.094 15.382 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.214 15.808 2.878 1.00 0.00 H new ATOM 665 N LYS A 46 0.988 12.586 2.897 1.00 0.00 N ATOM 666 CA LYS A 46 0.123 12.026 3.917 1.00 0.00 C ATOM 667 C LYS A 46 -0.623 10.822 3.361 1.00 0.00 C ATOM 668 O LYS A 46 -0.378 10.407 2.228 1.00 0.00 O ATOM 669 CB LYS A 46 -0.856 13.095 4.395 1.00 0.00 C ATOM 670 CG LYS A 46 -1.836 13.425 3.272 1.00 0.00 C ATOM 671 CD LYS A 46 -2.908 14.376 3.795 1.00 0.00 C ATOM 672 CE LYS A 46 -4.240 14.062 3.117 1.00 0.00 C ATOM 673 NZ LYS A 46 -5.350 14.131 4.079 1.00 0.00 N ATOM 0 H LYS A 46 0.874 12.168 1.974 1.00 0.00 H new ATOM 0 HA LYS A 46 0.723 11.695 4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.397 12.741 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.314 13.992 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.307 13.881 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.297 12.511 2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.005 14.273 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.621 15.409 3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.414 14.768 2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.200 13.067 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.244 13.914 3.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.193 13.441 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.400 15.088 4.484 1.00 0.00 H new ATOM 687 N LEU A 47 -1.532 10.262 4.159 1.00 0.00 N ATOM 688 CA LEU A 47 -2.312 9.093 3.756 1.00 0.00 C ATOM 689 C LEU A 47 -3.819 9.345 3.866 1.00 0.00 C ATOM 690 O LEU A 47 -4.302 9.887 4.856 1.00 0.00 O ATOM 691 CB LEU A 47 -1.921 7.891 4.620 1.00 0.00 C ATOM 692 CG LEU A 47 -3.060 6.886 4.887 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.311 5.997 3.671 1.00 0.00 C ATOM 694 CD2 LEU A 47 -2.755 6.029 6.110 1.00 0.00 C ATOM 0 H LEU A 47 -1.747 10.603 5.096 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.088 8.887 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.098 7.365 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.546 8.256 5.576 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.965 7.462 5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.119 5.300 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.588 6.617 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.405 5.439 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.573 5.329 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.831 5.475 5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.642 6.670 6.984 1.00 0.00 H new ATOM 706 N VAL A 48 -4.555 8.945 2.826 1.00 0.00 N ATOM 707 CA VAL A 48 -5.992 9.124 2.792 1.00 0.00 C ATOM 708 C VAL A 48 -6.672 7.977 3.526 1.00 0.00 C ATOM 709 O VAL A 48 -7.239 8.171 4.598 1.00 0.00 O ATOM 710 CB VAL A 48 -6.462 9.194 1.342 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.772 9.974 1.268 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.403 9.898 0.499 1.00 0.00 C ATOM 0 H VAL A 48 -4.168 8.494 1.997 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.258 10.056 3.290 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.619 8.185 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.108 10.024 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.529 9.472 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.616 10.984 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.737 9.949 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.247 10.907 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.467 9.342 0.551 1.00 0.00 H new ATOM 722 N SER A 49 -6.615 6.777 2.942 1.00 0.00 N ATOM 723 CA SER A 49 -7.223 5.606 3.542 1.00 0.00 C ATOM 724 C SER A 49 -6.497 4.351 3.077 1.00 0.00 C ATOM 725 O SER A 49 -5.451 4.436 2.439 1.00 0.00 O ATOM 726 CB SER A 49 -8.699 5.550 3.163 1.00 0.00 C ATOM 727 OG SER A 49 -9.460 6.242 4.127 1.00 0.00 O ATOM 0 H SER A 49 -6.150 6.600 2.051 1.00 0.00 H new ATOM 0 HA SER A 49 -7.143 5.666 4.627 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.849 5.994 2.179 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.030 4.513 3.099 1.00 0.00 H new ATOM 0 HG SER A 49 -8.930 6.980 4.495 1.00 0.00 H new ATOM 733 N VAL A 50 -7.059 3.184 3.399 1.00 0.00 N ATOM 734 CA VAL A 50 -6.467 1.919 3.014 1.00 0.00 C ATOM 735 C VAL A 50 -7.519 0.820 3.065 1.00 0.00 C ATOM 736 O VAL A 50 -8.420 0.860 3.899 1.00 0.00 O ATOM 737 CB VAL A 50 -5.303 1.598 3.947 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.789 1.626 5.393 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.758 0.210 3.621 1.00 0.00 C ATOM 0 H VAL A 50 -7.927 3.098 3.928 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.090 1.985 1.994 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.515 2.339 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.958 1.397 6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.180 2.617 5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.577 0.885 5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.926 -0.020 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.546 -0.531 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.412 0.189 2.588 1.00 0.00 H new ATOM 749 N LYS A 51 -7.402 -0.162 2.169 1.00 0.00 N ATOM 750 CA LYS A 51 -8.343 -1.264 2.118 1.00 0.00 C ATOM 751 C LYS A 51 -7.696 -2.523 2.677 1.00 0.00 C ATOM 752 O LYS A 51 -6.534 -2.504 3.074 1.00 0.00 O ATOM 753 CB LYS A 51 -8.794 -1.481 0.676 1.00 0.00 C ATOM 754 CG LYS A 51 -9.073 -0.132 0.022 1.00 0.00 C ATOM 755 CD LYS A 51 -9.905 -0.339 -1.240 1.00 0.00 C ATOM 756 CE LYS A 51 -10.915 0.797 -1.376 1.00 0.00 C ATOM 757 NZ LYS A 51 -12.288 0.312 -1.161 1.00 0.00 N ATOM 0 H LYS A 51 -6.660 -0.209 1.470 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.216 -1.029 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.024 -2.015 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.691 -2.100 0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.604 0.518 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.135 0.365 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.256 -0.370 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.423 -1.297 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.685 1.581 -0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.834 1.243 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.888 1.099 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.665 -0.070 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.283 -0.436 -0.439 1.00 0.00 H new ATOM 771 N GLN A 52 -8.454 -3.622 2.704 1.00 0.00 N ATOM 772 CA GLN A 52 -7.953 -4.883 3.213 1.00 0.00 C ATOM 773 C GLN A 52 -8.569 -6.036 2.433 1.00 0.00 C ATOM 774 O GLN A 52 -9.767 -6.033 2.157 1.00 0.00 O ATOM 775 CB GLN A 52 -8.283 -4.997 4.699 1.00 0.00 C ATOM 776 CG GLN A 52 -9.772 -5.290 4.868 1.00 0.00 C ATOM 777 CD GLN A 52 -10.129 -5.452 6.338 1.00 0.00 C ATOM 778 OE1 GLN A 52 -11.116 -4.888 6.805 1.00 0.00 O ATOM 779 NE2 GLN A 52 -9.320 -6.223 7.070 1.00 0.00 N ATOM 0 H GLN A 52 -9.419 -3.655 2.376 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.871 -4.926 3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.691 -5.791 5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.023 -4.071 5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.358 -4.480 4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.032 -6.198 4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.512 -6.670 6.637 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.510 -6.364 8.062 1.00 0.00 H new ATOM 788 N GLN A 53 -7.745 -7.025 2.078 1.00 0.00 N ATOM 789 CA GLN A 53 -8.212 -8.177 1.334 1.00 0.00 C ATOM 790 C GLN A 53 -7.574 -9.444 1.887 1.00 0.00 C ATOM 791 O GLN A 53 -6.463 -9.404 2.411 1.00 0.00 O ATOM 792 CB GLN A 53 -7.869 -8.000 -0.143 1.00 0.00 C ATOM 793 CG GLN A 53 -8.095 -9.316 -0.880 1.00 0.00 C ATOM 794 CD GLN A 53 -7.542 -9.246 -2.297 1.00 0.00 C ATOM 795 OE1 GLN A 53 -6.333 -9.137 -2.490 1.00 0.00 O ATOM 796 NE2 GLN A 53 -8.432 -9.309 -3.291 1.00 0.00 N ATOM 0 H GLN A 53 -6.749 -7.043 2.299 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.294 -8.265 1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.488 -7.216 -0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.831 -7.684 -0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.613 -10.129 -0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.161 -9.541 -0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.426 -9.399 -3.081 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.118 -9.267 -4.260 1.00 0.00 H new ATOM 805 N VAL A 54 -8.280 -10.570 1.769 1.00 0.00 N ATOM 806 CA VAL A 54 -7.781 -11.841 2.256 1.00 0.00 C ATOM 807 C VAL A 54 -7.629 -12.813 1.094 1.00 0.00 C ATOM 808 O VAL A 54 -8.581 -13.055 0.357 1.00 0.00 O ATOM 809 CB VAL A 54 -8.741 -12.396 3.304 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.152 -12.448 2.724 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.302 -13.802 3.701 1.00 0.00 C ATOM 0 H VAL A 54 -9.203 -10.619 1.337 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.803 -11.701 2.717 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.733 -11.751 4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.839 -12.844 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.466 -11.444 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.161 -13.093 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.987 -14.199 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.310 -14.447 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.294 -13.765 4.115 1.00 0.00 H new ATOM 821 N VAL A 55 -6.426 -13.370 0.934 1.00 0.00 N ATOM 822 CA VAL A 55 -6.155 -14.311 -0.134 1.00 0.00 C ATOM 823 C VAL A 55 -4.987 -15.207 0.254 1.00 0.00 C ATOM 824 O VAL A 55 -5.075 -15.965 1.218 1.00 0.00 O ATOM 825 CB VAL A 55 -5.849 -13.548 -1.418 1.00 0.00 C ATOM 826 CG1 VAL A 55 -6.998 -12.593 -1.730 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.559 -12.751 -1.241 1.00 0.00 C ATOM 0 H VAL A 55 -5.627 -13.179 1.538 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.030 -14.940 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.731 -14.254 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.779 -12.048 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.919 -13.161 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.118 -11.887 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.340 -12.205 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.677 -12.045 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.738 -13.433 -1.019 1.00 0.00 H new ATOM 837 N ALA A 56 -3.889 -15.118 -0.501 1.00 0.00 N ATOM 838 CA ALA A 56 -2.712 -15.919 -0.234 1.00 0.00 C ATOM 839 C ALA A 56 -1.917 -15.303 0.908 1.00 0.00 C ATOM 840 O ALA A 56 -0.765 -15.667 1.135 1.00 0.00 O ATOM 841 CB ALA A 56 -1.861 -16.009 -1.498 1.00 0.00 C ATOM 0 H ALA A 56 -3.800 -14.494 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.011 -16.925 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.975 -16.612 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.442 -16.472 -2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.557 -15.008 -1.804 1.00 0.00 H new ATOM 847 N GLY A 57 -2.535 -14.364 1.629 1.00 0.00 N ATOM 848 CA GLY A 57 -1.881 -13.704 2.741 1.00 0.00 C ATOM 849 C GLY A 57 -2.734 -12.551 3.247 1.00 0.00 C ATOM 850 O GLY A 57 -3.931 -12.713 3.478 1.00 0.00 O ATOM 0 H GLY A 57 -3.490 -14.049 1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.709 -14.418 3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.905 -13.333 2.429 1.00 0.00 H new ATOM 854 N THR A 58 -2.114 -11.381 3.420 1.00 0.00 N ATOM 855 CA THR A 58 -2.821 -10.209 3.896 1.00 0.00 C ATOM 856 C THR A 58 -2.538 -9.026 2.983 1.00 0.00 C ATOM 857 O THR A 58 -1.465 -8.425 3.055 1.00 0.00 O ATOM 858 CB THR A 58 -2.388 -9.903 5.327 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.694 -11.001 6.156 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.126 -8.665 5.829 1.00 0.00 C ATOM 0 H THR A 58 -1.123 -11.229 3.235 1.00 0.00 H new ATOM 0 HA THR A 58 -3.894 -10.399 3.886 1.00 0.00 H new ATOM 0 HB THR A 58 -1.314 -9.719 5.349 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.414 -10.805 7.075 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.817 -8.447 6.851 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.889 -7.815 5.189 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.200 -8.848 5.806 1.00 0.00 H new ATOM 868 N LEU A 59 -3.501 -8.693 2.124 1.00 0.00 N ATOM 869 CA LEU A 59 -3.359 -7.585 1.180 1.00 0.00 C ATOM 870 C LEU A 59 -4.069 -6.320 1.670 1.00 0.00 C ATOM 871 O LEU A 59 -5.143 -6.384 2.262 1.00 0.00 O ATOM 872 CB LEU A 59 -3.915 -7.998 -0.185 1.00 0.00 C ATOM 873 CG LEU A 59 -3.235 -7.321 -1.394 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.446 -5.810 -1.375 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.745 -7.643 -1.431 1.00 0.00 C ATOM 0 H LEU A 59 -4.395 -9.180 2.063 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.297 -7.354 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.817 -9.079 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.981 -7.770 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.701 -7.719 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.955 -5.363 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.513 -5.591 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.021 -5.395 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.288 -7.155 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.272 -7.284 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.608 -8.721 -1.511 1.00 0.00 H new ATOM 887 N TYR A 60 -3.446 -5.166 1.420 1.00 0.00 N ATOM 888 CA TYR A 60 -4.002 -3.893 1.834 1.00 0.00 C ATOM 889 C TYR A 60 -3.826 -2.868 0.724 1.00 0.00 C ATOM 890 O TYR A 60 -2.725 -2.691 0.206 1.00 0.00 O ATOM 891 CB TYR A 60 -3.310 -3.432 3.113 1.00 0.00 C ATOM 892 CG TYR A 60 -3.548 -4.344 4.291 1.00 0.00 C ATOM 893 CD1 TYR A 60 -4.854 -4.602 4.725 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.462 -4.934 4.950 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.074 -5.450 5.818 1.00 0.00 C ATOM 896 CE2 TYR A 60 -2.682 -5.782 6.042 1.00 0.00 C ATOM 897 CZ TYR A 60 -3.988 -6.039 6.477 1.00 0.00 C ATOM 898 OH TYR A 60 -4.203 -6.865 7.542 1.00 0.00 O ATOM 0 H TYR A 60 -2.554 -5.096 0.931 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.068 -4.002 2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.238 -3.360 2.930 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.658 -2.430 3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.692 -4.147 4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.455 -4.735 4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.081 -5.650 6.152 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.844 -6.238 6.549 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.067 -7.315 7.438 1.00 0.00 H new ATOM 908 N TYR A 61 -4.916 -2.188 0.360 1.00 0.00 N ATOM 909 CA TYR A 61 -4.877 -1.185 -0.686 1.00 0.00 C ATOM 910 C TYR A 61 -4.810 0.203 -0.066 1.00 0.00 C ATOM 911 O TYR A 61 -5.840 0.806 0.226 1.00 0.00 O ATOM 912 CB TYR A 61 -6.113 -1.326 -1.569 1.00 0.00 C ATOM 913 CG TYR A 61 -6.411 -2.752 -1.967 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.681 -3.710 -0.983 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.419 -3.114 -3.319 1.00 0.00 C ATOM 916 CE1 TYR A 61 -6.959 -5.032 -1.352 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.696 -4.436 -3.688 1.00 0.00 C ATOM 918 CZ TYR A 61 -6.966 -5.395 -2.703 1.00 0.00 C ATOM 919 OH TYR A 61 -7.237 -6.682 -3.063 1.00 0.00 O ATOM 0 H TYR A 61 -5.836 -2.321 0.781 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.989 -1.328 -1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.975 -0.917 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.976 -0.727 -2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.675 -3.430 0.060 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.212 -2.374 -4.078 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.168 -5.772 -0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.702 -4.716 -4.731 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.454 -7.243 -2.885 1.00 0.00 H new ATOM 929 N PHE A 62 -3.591 0.712 0.131 1.00 0.00 N ATOM 930 CA PHE A 62 -3.398 2.025 0.713 1.00 0.00 C ATOM 931 C PHE A 62 -3.551 3.093 -0.361 1.00 0.00 C ATOM 932 O PHE A 62 -3.018 2.954 -1.459 1.00 0.00 O ATOM 933 CB PHE A 62 -2.016 2.096 1.355 1.00 0.00 C ATOM 934 CG PHE A 62 -1.842 1.149 2.519 1.00 0.00 C ATOM 935 CD1 PHE A 62 -2.240 1.537 3.803 1.00 0.00 C ATOM 936 CD2 PHE A 62 -1.280 -0.116 2.313 1.00 0.00 C ATOM 937 CE1 PHE A 62 -2.076 0.660 4.882 1.00 0.00 C ATOM 938 CE2 PHE A 62 -1.116 -0.993 3.391 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.515 -0.605 4.676 1.00 0.00 C ATOM 0 H PHE A 62 -2.726 0.226 -0.108 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.151 2.202 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.262 1.873 0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.835 3.115 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.674 2.513 3.962 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.973 -0.415 1.322 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.383 0.960 5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.682 -1.969 3.232 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.390 -1.282 5.508 1.00 0.00 H new ATOM 949 N THR A 63 -4.283 4.162 -0.040 1.00 0.00 N ATOM 950 CA THR A 63 -4.498 5.246 -0.978 1.00 0.00 C ATOM 951 C THR A 63 -3.995 6.553 -0.385 1.00 0.00 C ATOM 952 O THR A 63 -4.781 7.357 0.113 1.00 0.00 O ATOM 953 CB THR A 63 -5.984 5.340 -1.310 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.485 4.052 -1.594 1.00 0.00 O ATOM 955 CG2 THR A 63 -6.178 6.239 -2.528 1.00 0.00 C ATOM 0 H THR A 63 -4.734 4.293 0.866 1.00 0.00 H new ATOM 0 HA THR A 63 -3.943 5.052 -1.896 1.00 0.00 H new ATOM 0 HB THR A 63 -6.520 5.760 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.440 4.112 -1.806 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.240 6.306 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.791 7.235 -2.311 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.642 5.819 -3.379 1.00 0.00 H new ATOM 963 N ILE A 64 -2.678 6.766 -0.440 1.00 0.00 N ATOM 964 CA ILE A 64 -2.073 7.971 0.088 1.00 0.00 C ATOM 965 C ILE A 64 -1.742 8.923 -1.053 1.00 0.00 C ATOM 966 O ILE A 64 -2.065 8.648 -2.206 1.00 0.00 O ATOM 967 CB ILE A 64 -0.815 7.608 0.872 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.398 7.673 -0.051 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.955 6.194 1.429 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.171 6.762 -1.254 1.00 0.00 C ATOM 0 H ILE A 64 -2.014 6.109 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.772 8.469 0.760 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.683 8.312 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.561 8.698 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.295 7.366 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.057 5.933 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.821 6.147 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.087 5.491 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.037 6.808 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.029 5.737 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.716 7.090 -1.796 1.00 0.00 H new ATOM 982 N GLU A 65 -1.095 10.046 -0.729 1.00 0.00 N ATOM 983 CA GLU A 65 -0.726 11.028 -1.729 1.00 0.00 C ATOM 984 C GLU A 65 0.717 11.465 -1.518 1.00 0.00 C ATOM 985 O GLU A 65 1.130 11.732 -0.393 1.00 0.00 O ATOM 986 CB GLU A 65 -1.671 12.222 -1.640 1.00 0.00 C ATOM 987 CG GLU A 65 -1.011 13.441 -2.277 1.00 0.00 C ATOM 988 CD GLU A 65 -1.961 14.632 -2.283 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.952 14.562 -3.041 1.00 0.00 O ATOM 990 OE2 GLU A 65 -1.675 15.588 -1.532 1.00 0.00 O ATOM 0 H GLU A 65 -0.819 10.290 0.222 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.809 10.588 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.609 11.996 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.915 12.430 -0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.104 13.697 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.711 13.205 -3.298 1.00 0.00 H new ATOM 997 N VAL A 66 1.483 11.537 -2.609 1.00 0.00 N ATOM 998 CA VAL A 66 2.874 11.941 -2.542 1.00 0.00 C ATOM 999 C VAL A 66 3.156 12.992 -3.606 1.00 0.00 C ATOM 1000 O VAL A 66 2.649 12.900 -4.722 1.00 0.00 O ATOM 1001 CB VAL A 66 3.767 10.720 -2.737 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.084 9.490 -2.146 1.00 0.00 C ATOM 1003 CG2 VAL A 66 4.009 10.500 -4.227 1.00 0.00 C ATOM 0 H VAL A 66 1.154 11.318 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 66 3.085 12.376 -1.565 1.00 0.00 H new ATOM 0 HB VAL A 66 4.720 10.883 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.722 8.617 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.911 9.646 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.131 9.326 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.647 9.628 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.056 10.337 -4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.497 11.378 -4.650 1.00 0.00 H new ATOM 1013 N LYS A 67 3.968 13.993 -3.258 1.00 0.00 N ATOM 1014 CA LYS A 67 4.313 15.052 -4.184 1.00 0.00 C ATOM 1015 C LYS A 67 5.481 14.617 -5.058 1.00 0.00 C ATOM 1016 O LYS A 67 6.607 14.494 -4.580 1.00 0.00 O ATOM 1017 CB LYS A 67 4.665 16.315 -3.402 1.00 0.00 C ATOM 1018 CG LYS A 67 5.944 16.079 -2.605 1.00 0.00 C ATOM 1019 CD LYS A 67 5.811 16.724 -1.227 1.00 0.00 C ATOM 1020 CE LYS A 67 6.015 18.231 -1.350 1.00 0.00 C ATOM 1021 NZ LYS A 67 5.889 18.888 -0.040 1.00 0.00 N ATOM 0 H LYS A 67 4.396 14.084 -2.336 1.00 0.00 H new ATOM 0 HA LYS A 67 3.462 15.264 -4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.799 17.153 -4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.848 16.579 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.129 15.010 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.798 16.500 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.827 16.512 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.547 16.301 -0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.000 18.435 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.281 18.646 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.032 19.912 -0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.940 18.710 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.606 18.506 0.610 1.00 0.00 H new ATOM 1035 N GLU A 68 5.210 14.386 -6.344 1.00 0.00 N ATOM 1036 CA GLU A 68 6.238 13.967 -7.276 1.00 0.00 C ATOM 1037 C GLU A 68 6.754 15.169 -8.055 1.00 0.00 C ATOM 1038 O GLU A 68 5.971 15.936 -8.613 1.00 0.00 O ATOM 1039 CB GLU A 68 5.667 12.915 -8.222 1.00 0.00 C ATOM 1040 CG GLU A 68 6.665 12.645 -9.345 1.00 0.00 C ATOM 1041 CD GLU A 68 7.218 11.230 -9.253 1.00 0.00 C ATOM 1042 OE1 GLU A 68 6.386 10.298 -9.202 1.00 0.00 O ATOM 1043 OE2 GLU A 68 8.461 11.107 -9.234 1.00 0.00 O ATOM 0 H GLU A 68 4.282 14.485 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 68 7.073 13.531 -6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.459 11.994 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.720 13.260 -8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.179 12.788 -10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.483 13.363 -9.290 1.00 0.00 H new ATOM 1050 N GLY A 69 8.078 15.332 -8.093 1.00 0.00 N ATOM 1051 CA GLY A 69 8.688 16.439 -8.802 1.00 0.00 C ATOM 1052 C GLY A 69 8.034 17.752 -8.395 1.00 0.00 C ATOM 1053 O GLY A 69 8.140 18.172 -7.244 1.00 0.00 O ATOM 0 H GLY A 69 8.742 14.706 -7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.756 16.474 -8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.586 16.292 -9.877 1.00 0.00 H new ATOM 1057 N ASP A 70 7.357 18.402 -9.345 1.00 0.00 N ATOM 1058 CA ASP A 70 6.692 19.662 -9.083 1.00 0.00 C ATOM 1059 C ASP A 70 5.186 19.451 -9.049 1.00 0.00 C ATOM 1060 O ASP A 70 4.428 20.293 -9.525 1.00 0.00 O ATOM 1061 CB ASP A 70 7.072 20.670 -10.163 1.00 0.00 C ATOM 1062 CG ASP A 70 8.461 21.241 -9.910 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.381 20.422 -9.693 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.577 22.485 -9.937 1.00 0.00 O ATOM 0 H ASP A 70 7.260 18.067 -10.304 1.00 0.00 H new ATOM 0 HA ASP A 70 7.007 20.051 -8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.045 20.189 -11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.341 21.478 -10.185 1.00 0.00 H new ATOM 1069 N ALA A 71 4.751 18.323 -8.483 1.00 0.00 N ATOM 1070 CA ALA A 71 3.340 18.007 -8.390 1.00 0.00 C ATOM 1071 C ALA A 71 3.098 17.061 -7.222 1.00 0.00 C ATOM 1072 O ALA A 71 4.003 16.804 -6.431 1.00 0.00 O ATOM 1073 CB ALA A 71 2.874 17.379 -9.700 1.00 0.00 C ATOM 0 H ALA A 71 5.367 17.615 -8.083 1.00 0.00 H new ATOM 0 HA ALA A 71 2.770 18.919 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.813 17.141 -9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.036 18.081 -10.518 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.440 16.466 -9.887 1.00 0.00 H new ATOM 1079 N LYS A 72 1.872 16.544 -7.115 1.00 0.00 N ATOM 1080 CA LYS A 72 1.519 15.631 -6.046 1.00 0.00 C ATOM 1081 C LYS A 72 0.171 14.990 -6.337 1.00 0.00 C ATOM 1082 O LYS A 72 -0.797 15.682 -6.644 1.00 0.00 O ATOM 1083 CB LYS A 72 1.483 16.391 -4.722 1.00 0.00 C ATOM 1084 CG LYS A 72 0.390 17.454 -4.777 1.00 0.00 C ATOM 1085 CD LYS A 72 0.862 18.707 -4.043 1.00 0.00 C ATOM 1086 CE LYS A 72 -0.209 19.789 -4.145 1.00 0.00 C ATOM 1087 NZ LYS A 72 0.288 21.073 -3.627 1.00 0.00 N ATOM 0 H LYS A 72 1.110 16.748 -7.762 1.00 0.00 H new ATOM 0 HA LYS A 72 2.266 14.840 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.294 15.701 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.450 16.857 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.153 17.694 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.524 17.075 -4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.062 18.475 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.797 19.064 -4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.515 19.906 -5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.093 19.485 -3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.459 21.792 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.557 20.964 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.117 21.372 -4.178 1.00 0.00 H new ATOM 1101 N LYS A 73 0.110 13.659 -6.239 1.00 0.00 N ATOM 1102 CA LYS A 73 -1.118 12.932 -6.491 1.00 0.00 C ATOM 1103 C LYS A 73 -1.212 11.735 -5.557 1.00 0.00 C ATOM 1104 O LYS A 73 -0.271 11.449 -4.813 1.00 0.00 O ATOM 1105 CB LYS A 73 -1.152 12.483 -7.950 1.00 0.00 C ATOM 1106 CG LYS A 73 -0.990 13.698 -8.859 1.00 0.00 C ATOM 1107 CD LYS A 73 -2.273 14.524 -8.838 1.00 0.00 C ATOM 1108 CE LYS A 73 -2.869 14.573 -10.241 1.00 0.00 C ATOM 1109 NZ LYS A 73 -2.658 15.892 -10.859 1.00 0.00 N ATOM 0 H LYS A 73 0.903 13.070 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.973 13.581 -6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.354 11.765 -8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.094 11.978 -8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.148 14.305 -8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.768 13.377 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.989 14.086 -8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.062 15.534 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.414 13.800 -10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.936 14.356 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.073 15.899 -11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.114 16.624 -10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.638 16.086 -10.924 1.00 0.00 H new ATOM 1123 N LEU A 74 -2.345 11.035 -5.595 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.574 9.869 -4.742 1.00 0.00 C ATOM 1125 C LEU A 74 -1.996 8.590 -5.354 1.00 0.00 C ATOM 1126 O LEU A 74 -2.297 8.238 -6.491 1.00 0.00 O ATOM 1127 CB LEU A 74 -4.076 9.697 -4.499 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.817 8.872 -5.571 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -6.306 8.759 -5.254 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.619 9.478 -6.956 1.00 0.00 C ATOM 0 H LEU A 74 -3.125 11.258 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.061 10.042 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.220 9.219 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.535 10.684 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.390 7.869 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.799 8.172 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.436 8.269 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.747 9.755 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.151 8.879 -7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.008 10.496 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.556 9.493 -7.198 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.153 7.901 -4.580 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.528 6.677 -5.036 1.00 0.00 C ATOM 1144 C TYR A 75 -1.134 5.485 -4.308 1.00 0.00 C ATOM 1145 O TYR A 75 -1.275 5.506 -3.087 1.00 0.00 O ATOM 1146 CB TYR A 75 0.976 6.753 -4.789 1.00 0.00 C ATOM 1147 CG TYR A 75 1.685 7.737 -5.688 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.134 9.005 -5.911 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.895 7.382 -6.298 1.00 0.00 C ATOM 1150 CE1 TYR A 75 1.792 9.917 -6.745 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.551 8.295 -7.132 1.00 0.00 C ATOM 1152 CZ TYR A 75 3.000 9.562 -7.355 1.00 0.00 C ATOM 1153 OH TYR A 75 3.641 10.451 -8.169 1.00 0.00 O ATOM 0 H TYR A 75 -0.893 8.179 -3.634 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.702 6.551 -6.105 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.152 7.031 -3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.410 5.764 -4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.202 9.279 -5.440 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.321 6.405 -6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.367 10.895 -6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.483 8.021 -7.604 1.00 0.00 H new ATOM 0 HH TYR A 75 4.552 10.135 -8.346 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.494 4.444 -5.062 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.080 3.252 -4.485 1.00 0.00 C ATOM 1165 C GLU A 76 -0.986 2.348 -3.933 1.00 0.00 C ATOM 1166 O GLU A 76 -0.359 1.601 -4.680 1.00 0.00 O ATOM 1167 CB GLU A 76 -2.898 2.523 -5.546 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.525 3.542 -6.494 1.00 0.00 C ATOM 1169 CD GLU A 76 -5.024 3.315 -6.621 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.743 3.736 -5.690 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -5.423 2.726 -7.649 1.00 0.00 O ATOM 0 H GLU A 76 -1.386 4.411 -6.076 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.739 3.531 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.261 1.836 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.676 1.924 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.336 4.551 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.057 3.467 -7.476 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.759 2.419 -2.620 1.00 0.00 N ATOM 1179 CA ALA A 77 0.256 1.611 -1.974 1.00 0.00 C ATOM 1180 C ALA A 77 -0.315 0.240 -1.636 1.00 0.00 C ATOM 1181 O ALA A 77 -1.143 0.115 -0.737 1.00 0.00 O ATOM 1182 CB ALA A 77 0.743 2.319 -0.713 1.00 0.00 C ATOM 0 H ALA A 77 -1.272 3.034 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 77 1.102 1.475 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.506 1.712 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.165 3.288 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.095 2.464 -0.031 1.00 0.00 H new ATOM 1188 N LYS A 78 0.131 -0.788 -2.361 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.336 -2.141 -2.134 1.00 0.00 C ATOM 1190 C LYS A 78 0.758 -2.962 -1.467 1.00 0.00 C ATOM 1191 O LYS A 78 1.807 -3.204 -2.060 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.746 -2.766 -3.464 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.725 -1.840 -4.181 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.778 -1.349 -3.193 1.00 0.00 C ATOM 1195 CE LYS A 78 -3.705 -0.357 -3.888 1.00 0.00 C ATOM 1196 NZ LYS A 78 -4.059 -0.822 -5.238 1.00 0.00 N ATOM 0 H LYS A 78 0.817 -0.700 -3.111 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.202 -2.124 -1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.134 -2.934 -4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.207 -3.739 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.192 -0.992 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.203 -2.368 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.352 -2.192 -2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.296 -0.875 -2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.611 -0.224 -3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.220 0.617 -3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.942 -0.364 -5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.296 -0.577 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.190 -1.854 -5.227 1.00 0.00 H new ATOM 1210 N VAL A 79 0.510 -3.391 -0.227 1.00 0.00 N ATOM 1211 CA VAL A 79 1.471 -4.181 0.516 1.00 0.00 C ATOM 1212 C VAL A 79 0.889 -5.557 0.810 1.00 0.00 C ATOM 1213 O VAL A 79 -0.309 -5.689 1.050 1.00 0.00 O ATOM 1214 CB VAL A 79 1.832 -3.458 1.810 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.851 -4.285 2.589 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.428 -2.093 1.480 1.00 0.00 C ATOM 0 H VAL A 79 -0.355 -3.199 0.278 1.00 0.00 H new ATOM 0 HA VAL A 79 2.377 -4.310 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 79 0.935 -3.326 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.109 -3.768 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.424 -5.260 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.749 -4.419 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.686 -1.576 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.325 -2.224 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.699 -1.502 0.925 1.00 0.00 H new ATOM 1226 N TRP A 80 1.742 -6.584 0.790 1.00 0.00 N ATOM 1227 CA TRP A 80 1.306 -7.940 1.057 1.00 0.00 C ATOM 1228 C TRP A 80 2.190 -8.569 2.124 1.00 0.00 C ATOM 1229 O TRP A 80 3.275 -9.062 1.824 1.00 0.00 O ATOM 1230 CB TRP A 80 1.355 -8.752 -0.234 1.00 0.00 C ATOM 1231 CG TRP A 80 0.712 -10.099 -0.156 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.367 -10.407 0.597 1.00 0.00 C ATOM 1233 CD2 TRP A 80 1.085 -11.334 -0.840 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.685 -11.738 0.426 1.00 0.00 N ATOM 1235 CE2 TRP A 80 0.180 -12.358 -0.451 1.00 0.00 C ATOM 1236 CE3 TRP A 80 2.095 -11.693 -1.750 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 0.271 -13.666 -0.937 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 2.196 -13.002 -2.243 1.00 0.00 C ATOM 1239 CH2 TRP A 80 1.288 -13.988 -1.839 1.00 0.00 C ATOM 0 H TRP A 80 2.738 -6.493 0.591 1.00 0.00 H new ATOM 0 HA TRP A 80 0.281 -7.929 1.426 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.870 -8.179 -1.025 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.397 -8.880 -0.526 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.899 -9.717 1.235 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.463 -12.206 0.891 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.806 -10.947 -2.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.436 -14.418 -0.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.982 -13.252 -2.941 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.373 -14.994 -2.223 1.00 0.00 H new ATOM 1250 N GLU A 81 1.722 -8.551 3.374 1.00 0.00 N ATOM 1251 CA GLU A 81 2.471 -9.119 4.476 1.00 0.00 C ATOM 1252 C GLU A 81 1.718 -10.306 5.059 1.00 0.00 C ATOM 1253 O GLU A 81 0.552 -10.525 4.739 1.00 0.00 O ATOM 1254 CB GLU A 81 2.699 -8.049 5.540 1.00 0.00 C ATOM 1255 CG GLU A 81 1.378 -7.355 5.854 1.00 0.00 C ATOM 1256 CD GLU A 81 0.776 -7.890 7.145 1.00 0.00 C ATOM 1257 OE1 GLU A 81 1.470 -7.790 8.179 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -0.368 -8.389 7.073 1.00 0.00 O ATOM 0 H GLU A 81 0.824 -8.146 3.640 1.00 0.00 H new ATOM 0 HA GLU A 81 3.439 -9.470 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.108 -8.501 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.430 -7.321 5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.539 -6.281 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.679 -7.507 5.032 1.00 0.00 H new ATOM 1265 N LYS A 82 2.391 -11.077 5.918 1.00 0.00 N ATOM 1266 CA LYS A 82 1.783 -12.236 6.541 1.00 0.00 C ATOM 1267 C LYS A 82 2.225 -12.333 7.994 1.00 0.00 C ATOM 1268 O LYS A 82 3.419 -12.381 8.282 1.00 0.00 O ATOM 1269 CB LYS A 82 2.179 -13.492 5.770 1.00 0.00 C ATOM 1270 CG LYS A 82 2.108 -13.212 4.272 1.00 0.00 C ATOM 1271 CD LYS A 82 2.980 -14.217 3.524 1.00 0.00 C ATOM 1272 CE LYS A 82 2.246 -14.695 2.274 1.00 0.00 C ATOM 1273 NZ LYS A 82 3.085 -15.615 1.490 1.00 0.00 N ATOM 0 H LYS A 82 3.359 -10.911 6.193 1.00 0.00 H new ATOM 0 HA LYS A 82 0.698 -12.138 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.188 -13.798 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.514 -14.316 6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.076 -13.282 3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.446 -12.197 4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.929 -13.757 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.212 -15.064 4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.321 -15.195 2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.969 -13.838 1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.564 -15.926 0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.956 -15.128 1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.329 -16.443 2.071 1.00 0.00 H new ATOM 1287 N PRO A 83 1.255 -12.364 8.911 1.00 0.00 N ATOM 1288 CA PRO A 83 1.485 -12.457 10.338 1.00 0.00 C ATOM 1289 C PRO A 83 1.958 -13.859 10.689 1.00 0.00 C ATOM 1290 O PRO A 83 2.934 -14.025 11.418 1.00 0.00 O ATOM 1291 CB PRO A 83 0.127 -12.162 10.972 1.00 0.00 C ATOM 1292 CG PRO A 83 -0.856 -12.669 9.918 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.158 -12.310 8.609 1.00 0.00 C ATOM 0 HA PRO A 83 2.251 -11.766 10.691 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.003 -12.680 11.923 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.005 -11.098 11.169 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.026 -13.742 10.005 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.828 -12.184 10.005 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.419 -13.012 7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.450 -11.318 8.265 1.00 0.00 H new ATOM 1301 N TRP A 84 1.262 -14.873 10.169 1.00 0.00 N ATOM 1302 CA TRP A 84 1.617 -16.254 10.431 1.00 0.00 C ATOM 1303 C TRP A 84 3.114 -16.449 10.241 1.00 0.00 C ATOM 1304 O TRP A 84 3.666 -17.474 10.636 1.00 0.00 O ATOM 1305 CB TRP A 84 0.829 -17.167 9.496 1.00 0.00 C ATOM 1306 CG TRP A 84 1.300 -17.172 8.077 1.00 0.00 C ATOM 1307 CD1 TRP A 84 2.357 -17.870 7.608 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.753 -16.457 6.927 1.00 0.00 C ATOM 1309 NE1 TRP A 84 2.501 -17.638 6.256 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.536 -16.772 5.784 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.325 -15.574 6.733 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 1.266 -16.242 4.519 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.604 -15.037 5.469 1.00 0.00 C ATOM 1314 CH2 TRP A 84 0.188 -15.368 4.363 1.00 0.00 C ATOM 0 H TRP A 84 0.449 -14.755 9.564 1.00 0.00 H new ATOM 0 HA TRP A 84 1.367 -16.508 11.461 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.875 -18.185 9.882 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.218 -16.866 9.515 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.992 -18.512 8.201 1.00 0.00 H new ATOM 0 HE1 TRP A 84 3.230 -18.055 5.677 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.948 -15.305 7.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.883 -16.505 3.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.438 -14.361 5.347 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.034 -14.949 3.393 1.00 0.00 H new ATOM 1325 N MET A 85 3.772 -15.460 9.633 1.00 0.00 N ATOM 1326 CA MET A 85 5.200 -15.528 9.393 1.00 0.00 C ATOM 1327 C MET A 85 5.816 -14.144 9.536 1.00 0.00 C ATOM 1328 O MET A 85 7.010 -13.966 9.303 1.00 0.00 O ATOM 1329 CB MET A 85 5.453 -16.091 7.997 1.00 0.00 C ATOM 1330 CG MET A 85 4.878 -15.137 6.953 1.00 0.00 C ATOM 1331 SD MET A 85 5.375 -15.520 5.255 1.00 0.00 S ATOM 1332 CE MET A 85 7.164 -15.302 5.421 1.00 0.00 C ATOM 0 H MET A 85 3.330 -14.603 9.300 1.00 0.00 H new ATOM 0 HA MET A 85 5.664 -16.186 10.127 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.523 -16.223 7.835 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.992 -17.074 7.900 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.790 -15.158 7.016 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.191 -14.121 7.192 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.546 -14.758 4.557 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.379 -14.739 6.329 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.646 -16.278 5.477 1.00 0.00 H new ATOM 1342 N ASP A 86 4.997 -13.163 9.922 1.00 0.00 N ATOM 1343 CA ASP A 86 5.464 -11.802 10.094 1.00 0.00 C ATOM 1344 C ASP A 86 6.404 -11.433 8.956 1.00 0.00 C ATOM 1345 O ASP A 86 7.611 -11.323 9.157 1.00 0.00 O ATOM 1346 CB ASP A 86 6.168 -11.673 11.442 1.00 0.00 C ATOM 1347 CG ASP A 86 5.941 -10.293 12.043 1.00 0.00 C ATOM 1348 OD1 ASP A 86 4.780 -10.019 12.414 1.00 0.00 O ATOM 1349 OD2 ASP A 86 6.935 -9.539 12.122 1.00 0.00 O ATOM 0 H ASP A 86 4.005 -13.295 10.120 1.00 0.00 H new ATOM 0 HA ASP A 86 4.617 -11.117 10.075 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.797 -12.437 12.125 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.237 -11.849 11.317 1.00 0.00 H new ATOM 1354 N PHE A 87 5.848 -11.239 7.757 1.00 0.00 N ATOM 1355 CA PHE A 87 6.640 -10.883 6.598 1.00 0.00 C ATOM 1356 C PHE A 87 5.829 -9.983 5.675 1.00 0.00 C ATOM 1357 O PHE A 87 4.709 -10.321 5.299 1.00 0.00 O ATOM 1358 CB PHE A 87 7.073 -12.153 5.871 1.00 0.00 C ATOM 1359 CG PHE A 87 7.238 -11.968 4.382 1.00 0.00 C ATOM 1360 CD1 PHE A 87 8.194 -11.071 3.889 1.00 0.00 C ATOM 1361 CD2 PHE A 87 6.438 -12.695 3.493 1.00 0.00 C ATOM 1362 CE1 PHE A 87 8.349 -10.902 2.508 1.00 0.00 C ATOM 1363 CE2 PHE A 87 6.593 -12.526 2.112 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.548 -11.629 1.620 1.00 0.00 C ATOM 0 H PHE A 87 4.848 -11.325 7.573 1.00 0.00 H new ATOM 0 HA PHE A 87 7.530 -10.338 6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.016 -12.500 6.293 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.336 -12.935 6.052 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.812 -10.510 4.574 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.701 -13.387 3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.087 -10.211 2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.976 -13.088 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.667 -11.498 0.555 1.00 0.00 H new ATOM 1374 N LYS A 88 6.399 -8.832 5.311 1.00 0.00 N ATOM 1375 CA LYS A 88 5.728 -7.891 4.437 1.00 0.00 C ATOM 1376 C LYS A 88 6.479 -7.784 3.118 1.00 0.00 C ATOM 1377 O LYS A 88 7.708 -7.812 3.094 1.00 0.00 O ATOM 1378 CB LYS A 88 5.645 -6.530 5.123 1.00 0.00 C ATOM 1379 CG LYS A 88 7.054 -5.995 5.362 1.00 0.00 C ATOM 1380 CD LYS A 88 6.973 -4.560 5.874 1.00 0.00 C ATOM 1381 CE LYS A 88 7.911 -4.390 7.065 1.00 0.00 C ATOM 1382 NZ LYS A 88 8.940 -3.377 6.787 1.00 0.00 N ATOM 0 H LYS A 88 7.327 -8.536 5.614 1.00 0.00 H new ATOM 0 HA LYS A 88 4.717 -8.241 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.080 -5.833 4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.113 -6.620 6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.575 -6.622 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.630 -6.031 4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.246 -3.864 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.950 -4.325 6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.338 -4.099 7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.387 -5.343 7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.565 -3.281 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.501 -3.669 5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.484 -2.463 6.590 1.00 0.00 H new ATOM 1396 N GLU A 89 5.737 -7.662 2.015 1.00 0.00 N ATOM 1397 CA GLU A 89 6.335 -7.551 0.701 1.00 0.00 C ATOM 1398 C GLU A 89 5.597 -6.503 -0.120 1.00 0.00 C ATOM 1399 O GLU A 89 4.479 -6.743 -0.579 1.00 0.00 O ATOM 1400 CB GLU A 89 6.291 -8.910 0.006 1.00 0.00 C ATOM 1401 CG GLU A 89 7.298 -8.928 -1.139 1.00 0.00 C ATOM 1402 CD GLU A 89 8.486 -9.820 -0.803 1.00 0.00 C ATOM 1403 OE1 GLU A 89 9.304 -9.385 0.035 1.00 0.00 O ATOM 1404 OE2 GLU A 89 8.553 -10.921 -1.393 1.00 0.00 O ATOM 0 H GLU A 89 4.717 -7.638 2.016 1.00 0.00 H new ATOM 0 HA GLU A 89 7.375 -7.239 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.520 -9.702 0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.288 -9.104 -0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.815 -9.286 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.644 -7.914 -1.340 1.00 0.00 H new ATOM 1411 N LEU A 90 6.224 -5.340 -0.303 1.00 0.00 N ATOM 1412 CA LEU A 90 5.625 -4.242 -1.062 1.00 0.00 C ATOM 1413 C LEU A 90 5.354 -4.631 -2.517 1.00 0.00 C ATOM 1414 O LEU A 90 6.232 -5.134 -3.214 1.00 0.00 O ATOM 1415 CB LEU A 90 6.548 -3.021 -1.012 1.00 0.00 C ATOM 1416 CG LEU A 90 5.901 -1.700 -1.476 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.127 -1.889 -2.777 1.00 0.00 C ATOM 1418 CD2 LEU A 90 4.985 -1.133 -0.398 1.00 0.00 C ATOM 0 H LEU A 90 7.152 -5.134 0.067 1.00 0.00 H new ATOM 0 HA LEU A 90 4.665 -4.004 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.905 -2.895 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.422 -3.218 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 90 6.707 -0.989 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.683 -0.940 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.805 -2.235 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.339 -2.627 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.541 -0.202 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.195 -1.851 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.563 -0.941 0.506 1.00 0.00 H new ATOM 1430 N GLN A 91 4.119 -4.394 -2.966 1.00 0.00 N ATOM 1431 CA GLN A 91 3.723 -4.720 -4.321 1.00 0.00 C ATOM 1432 C GLN A 91 3.950 -3.518 -5.227 1.00 0.00 C ATOM 1433 O GLN A 91 4.510 -3.652 -6.313 1.00 0.00 O ATOM 1434 CB GLN A 91 2.256 -5.138 -4.334 1.00 0.00 C ATOM 1435 CG GLN A 91 2.067 -6.360 -3.442 1.00 0.00 C ATOM 1436 CD GLN A 91 0.929 -7.234 -3.951 1.00 0.00 C ATOM 1437 OE1 GLN A 91 -0.122 -6.726 -4.336 1.00 0.00 O ATOM 1438 NE2 GLN A 91 1.140 -8.552 -3.954 1.00 0.00 N ATOM 0 H GLN A 91 3.380 -3.976 -2.401 1.00 0.00 H new ATOM 0 HA GLN A 91 4.326 -5.549 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.630 -4.318 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.941 -5.366 -5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.990 -6.939 -3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.857 -6.041 -2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.030 -8.927 -3.625 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.412 -9.184 -4.286 1.00 0.00 H new ATOM 1447 N GLU A 92 3.513 -2.339 -4.778 1.00 0.00 N ATOM 1448 CA GLU A 92 3.672 -1.123 -5.550 1.00 0.00 C ATOM 1449 C GLU A 92 2.809 -0.016 -4.960 1.00 0.00 C ATOM 1450 O GLU A 92 1.667 -0.254 -4.571 1.00 0.00 O ATOM 1451 CB GLU A 92 3.290 -1.390 -7.002 1.00 0.00 C ATOM 1452 CG GLU A 92 4.527 -1.263 -7.886 1.00 0.00 C ATOM 1453 CD GLU A 92 4.143 -0.870 -9.305 1.00 0.00 C ATOM 1454 OE1 GLU A 92 3.571 -1.738 -9.999 1.00 0.00 O ATOM 1455 OE2 GLU A 92 4.430 0.292 -9.670 1.00 0.00 O ATOM 0 H GLU A 92 3.046 -2.210 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 92 4.713 -0.801 -5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.862 -2.388 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.526 -0.683 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.202 -0.517 -7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.067 -2.210 -7.900 1.00 0.00 H new ATOM 1462 N PHE A 93 3.360 1.199 -4.893 1.00 0.00 N ATOM 1463 CA PHE A 93 2.639 2.334 -4.353 1.00 0.00 C ATOM 1464 C PHE A 93 2.658 3.481 -5.353 1.00 0.00 C ATOM 1465 O PHE A 93 3.471 4.396 -5.238 1.00 0.00 O ATOM 1466 CB PHE A 93 3.275 2.756 -3.032 1.00 0.00 C ATOM 1467 CG PHE A 93 4.376 3.777 -3.192 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.528 3.456 -3.920 1.00 0.00 C ATOM 1469 CD2 PHE A 93 4.246 5.044 -2.611 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.549 4.401 -4.067 1.00 0.00 C ATOM 1471 CE2 PHE A 93 5.268 5.990 -2.758 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.420 5.668 -3.486 1.00 0.00 C ATOM 0 H PHE A 93 4.306 1.413 -5.209 1.00 0.00 H new ATOM 0 HA PHE A 93 1.601 2.057 -4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.503 3.165 -2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.678 1.874 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.628 2.479 -4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.357 5.292 -2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.437 4.153 -4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.168 6.968 -2.310 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.209 6.397 -3.599 1.00 0.00 H new ATOM 1482 N LYS A 94 1.758 3.431 -6.338 1.00 0.00 N ATOM 1483 CA LYS A 94 1.676 4.464 -7.351 1.00 0.00 C ATOM 1484 C LYS A 94 0.233 4.633 -7.804 1.00 0.00 C ATOM 1485 O LYS A 94 -0.605 3.770 -7.551 1.00 0.00 O ATOM 1486 CB LYS A 94 2.573 4.093 -8.528 1.00 0.00 C ATOM 1487 CG LYS A 94 4.015 4.475 -8.208 1.00 0.00 C ATOM 1488 CD LYS A 94 4.850 3.209 -8.033 1.00 0.00 C ATOM 1489 CE LYS A 94 5.718 2.995 -9.270 1.00 0.00 C ATOM 1490 NZ LYS A 94 4.889 2.850 -10.477 1.00 0.00 N ATOM 0 H LYS A 94 1.077 2.680 -6.448 1.00 0.00 H new ATOM 0 HA LYS A 94 2.017 5.412 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.505 3.024 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.240 4.608 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.427 5.087 -9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.050 5.075 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.478 3.295 -7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.198 2.349 -7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.399 3.838 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.333 2.105 -9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.502 2.808 -11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.331 1.975 -10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.248 3.665 -10.558 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.054 5.750 -8.476 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.368 6.079 -8.985 1.00 0.00 C ATOM 1506 C PRO A 95 -1.690 5.192 -10.180 1.00 0.00 C ATOM 1507 O PRO A 95 -2.746 5.334 -10.794 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.270 7.545 -9.402 1.00 0.00 C ATOM 1509 CG PRO A 95 0.198 7.687 -9.799 1.00 0.00 C ATOM 1510 CD PRO A 95 0.906 6.784 -8.791 1.00 0.00 C ATOM 0 HA PRO A 95 -2.159 5.923 -8.251 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.938 7.775 -10.233 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.535 8.216 -8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.373 7.364 -10.825 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.539 8.720 -9.727 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.818 6.361 -9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.195 7.339 -7.899 1.00 0.00 H new ATOM 1518 N VAL A 96 -0.775 4.278 -10.511 1.00 0.00 N ATOM 1519 CA VAL A 96 -0.964 3.376 -11.628 1.00 0.00 C ATOM 1520 C VAL A 96 -1.242 4.176 -12.893 1.00 0.00 C ATOM 1521 O VAL A 96 -2.344 4.122 -13.433 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.117 2.425 -11.325 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -2.358 1.515 -12.526 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -1.769 1.576 -10.105 1.00 0.00 C ATOM 0 H VAL A 96 0.106 4.150 -10.013 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.059 2.788 -11.784 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.019 3.002 -11.121 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.182 0.836 -12.308 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.607 2.121 -13.397 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.457 0.938 -12.732 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.593 0.896 -9.888 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.867 0.999 -10.308 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.599 2.225 -9.246 1.00 0.00 H new