USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 726 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 9 MET CE :methyl -114:sc= -0.445 (180deg=-0.954) USER MOD Set 1.2: A 85 HIS : no HD1:sc= -1.68 K(o=-2.1,f=-4.2!) USER MOD Set 2.1: A 42 GLN : amide:sc= -2.62 K(o=-3,f=-3.8) USER MOD Set 2.2: A 98 THR OG1 : rot -88:sc= -0.412 USER MOD Set 3.1: A 29 THR OG1 : rot -178:sc= 0.908 USER MOD Set 3.2: A 31 SER OG : rot -74:sc= 0.579 USER MOD Single : A 8 THR OG1 : rot 44:sc= 0.208 USER MOD Single : A 14 SER OG : rot -33:sc= 0.549 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -6.49! C(o=-6.5!,f=-8.8!) USER MOD Single : A 32 GLN : amide:sc=-0.00375 X(o=-0.0038,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00869 USER MOD Single : A 38 GLN : amide:sc= -3.24 K(o=-3.2,f=-13!) USER MOD Single : A 40 GLN : amide:sc= -8.18! C(o=-8.2!,f=-10!) USER MOD Single : A 46 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-7.5!) USER MOD Single : A 47 ASN : amide:sc= -6.57! C(o=-6.6!,f=-6!) USER MOD Single : A 48 GLN : amide:sc= -7.01! C(o=-7!,f=-13!) USER MOD Single : A 49 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 51 SER OG : rot -120:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0688 USER MOD Single : A 53 ASN : amide:sc= -0.0015 X(o=-0.0015,f=-0.46) USER MOD Single : A 55 ASN : amide:sc=-0.00911 K(o=-0.0091,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.263 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 61:sc= 0.431 USER MOD Single : A 71 MET CE :methyl -163:sc= -4.82! (180deg=-5.89!) USER MOD Single : A 75 ASN : amide:sc=-0.00137 X(o=-0.0014,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -130:sc= 0 USER MOD Single : A 82 ASN : amide:sc=-0.00472 X(o=-0.0047,f=-0.18) USER MOD Single : A 87 SER OG : rot -100:sc= 0.506 USER MOD Single : A 88 MET CE :methyl -143:sc= -2.2! (180deg=-4.14!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.984 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 8 -9.225 8.596 8.083 1.00 0.00 N ATOM 67 CA THR A 8 -9.198 7.321 8.780 1.00 0.00 C ATOM 68 C THR A 8 -7.896 6.575 8.478 1.00 0.00 C ATOM 69 O THR A 8 -7.684 6.118 7.356 1.00 0.00 O ATOM 70 CB THR A 8 -10.452 6.539 8.385 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.526 7.329 8.887 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.578 5.214 9.139 1.00 0.00 C ATOM 0 HA THR A 8 -9.212 7.461 9.861 1.00 0.00 H new ATOM 0 HB THR A 8 -10.436 6.345 7.313 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.360 8.273 8.684 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.485 4.699 8.821 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.711 4.589 8.924 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.628 5.408 10.210 1.00 0.00 H new ATOM 80 N MET A 9 -7.058 6.476 9.500 1.00 0.00 N ATOM 81 CA MET A 9 -5.783 5.793 9.358 1.00 0.00 C ATOM 82 C MET A 9 -5.961 4.276 9.442 1.00 0.00 C ATOM 83 O MET A 9 -6.855 3.789 10.132 1.00 0.00 O ATOM 84 CB MET A 9 -4.830 6.258 10.461 1.00 0.00 C ATOM 85 CG MET A 9 -3.489 5.526 10.370 1.00 0.00 C ATOM 86 SD MET A 9 -3.563 4.000 11.292 1.00 0.00 S ATOM 87 CE MET A 9 -3.630 4.645 12.955 1.00 0.00 C ATOM 0 H MET A 9 -7.237 6.857 10.429 1.00 0.00 H new ATOM 0 HA MET A 9 -5.368 6.037 8.380 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.668 7.333 10.378 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.281 6.078 11.437 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.248 5.319 9.327 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.693 6.159 10.762 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.721 4.369 13.489 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.715 5.731 12.921 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.495 4.230 13.472 1.00 0.00 H new ATOM 97 N LEU A 10 -5.095 3.571 8.729 1.00 0.00 N ATOM 98 CA LEU A 10 -5.145 2.119 8.715 1.00 0.00 C ATOM 99 C LEU A 10 -3.732 1.562 8.898 1.00 0.00 C ATOM 100 O LEU A 10 -2.751 2.295 8.777 1.00 0.00 O ATOM 101 CB LEU A 10 -5.843 1.619 7.448 1.00 0.00 C ATOM 102 CG LEU A 10 -7.332 1.950 7.328 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.900 1.449 5.999 1.00 0.00 C ATOM 104 CD2 LEU A 10 -8.113 1.405 8.526 1.00 0.00 C ATOM 0 H LEU A 10 -4.355 3.978 8.157 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.744 1.751 9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.327 2.037 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.726 0.537 7.396 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.442 3.034 7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.960 1.697 5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.369 1.924 5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.776 0.368 5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.168 1.654 8.416 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.999 0.322 8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.729 1.850 9.444 1.00 0.00 H new ATOM 116 N ARG A 11 -3.671 0.270 9.186 1.00 0.00 N ATOM 117 CA ARG A 11 -2.395 -0.393 9.387 1.00 0.00 C ATOM 118 C ARG A 11 -2.091 -1.327 8.214 1.00 0.00 C ATOM 119 O ARG A 11 -2.764 -2.341 8.033 1.00 0.00 O ATOM 120 CB ARG A 11 -2.392 -1.200 10.687 1.00 0.00 C ATOM 121 CG ARG A 11 -1.664 -0.445 11.800 1.00 0.00 C ATOM 122 CD ARG A 11 -1.622 -1.271 13.087 1.00 0.00 C ATOM 123 NE ARG A 11 -1.338 -0.392 14.244 1.00 0.00 N ATOM 124 CZ ARG A 11 -0.904 -0.832 15.433 1.00 0.00 C ATOM 125 NH1 ARG A 11 -0.703 -2.142 15.630 1.00 0.00 N ATOM 126 NH2 ARG A 11 -0.672 0.038 16.425 1.00 0.00 N ATOM 0 H ARG A 11 -4.486 -0.335 9.285 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.627 0.378 9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.418 -1.406 10.993 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.909 -2.163 10.520 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.648 -0.210 11.481 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.166 0.504 11.989 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.574 -1.781 13.233 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.856 -2.042 13.009 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.482 0.611 14.129 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.880 -2.804 14.875 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.373 -2.477 16.535 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.826 1.035 16.275 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.342 -0.297 17.330 1.00 0.00 H new ATOM 140 N VAL A 12 -1.077 -0.953 7.447 1.00 0.00 N ATOM 141 CA VAL A 12 -0.677 -1.745 6.297 1.00 0.00 C ATOM 142 C VAL A 12 0.671 -2.410 6.585 1.00 0.00 C ATOM 143 O VAL A 12 1.716 -1.770 6.488 1.00 0.00 O ATOM 144 CB VAL A 12 -0.655 -0.870 5.042 1.00 0.00 C ATOM 145 CG1 VAL A 12 -0.092 -1.641 3.846 1.00 0.00 C ATOM 146 CG2 VAL A 12 -2.049 -0.320 4.733 1.00 0.00 C ATOM 0 H VAL A 12 -0.521 -0.112 7.600 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.399 -2.540 6.111 1.00 0.00 H new ATOM 0 HB VAL A 12 0.004 -0.023 5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.087 -0.996 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.926 -1.961 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.713 -2.515 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.006 0.298 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.739 -1.148 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.397 0.282 5.572 1.00 0.00 H new ATOM 156 N ARG A 13 0.601 -3.686 6.934 1.00 0.00 N ATOM 157 CA ARG A 13 1.803 -4.446 7.237 1.00 0.00 C ATOM 158 C ARG A 13 2.484 -4.899 5.944 1.00 0.00 C ATOM 159 O ARG A 13 1.871 -5.573 5.118 1.00 0.00 O ATOM 160 CB ARG A 13 1.478 -5.672 8.092 1.00 0.00 C ATOM 161 CG ARG A 13 2.733 -6.510 8.347 1.00 0.00 C ATOM 162 CD ARG A 13 3.240 -6.316 9.777 1.00 0.00 C ATOM 163 NE ARG A 13 3.292 -7.618 10.478 1.00 0.00 N ATOM 164 CZ ARG A 13 3.912 -7.818 11.648 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.538 -6.801 12.257 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.908 -9.034 12.210 1.00 0.00 N ATOM 0 H ARG A 13 -0.269 -4.213 7.014 1.00 0.00 H new ATOM 0 HA ARG A 13 2.475 -3.795 7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.049 -5.354 9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.725 -6.281 7.591 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.512 -7.564 8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.513 -6.228 7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.231 -5.862 9.762 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.584 -5.631 10.314 1.00 0.00 H new ATOM 0 HE ARG A 13 2.826 -8.414 10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.542 -5.875 11.829 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.010 -6.953 13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.432 -9.808 11.747 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.380 -9.186 13.101 1.00 0.00 H new ATOM 180 N SER A 14 3.744 -4.511 5.810 1.00 0.00 N ATOM 181 CA SER A 14 4.516 -4.869 4.631 1.00 0.00 C ATOM 182 C SER A 14 5.760 -5.659 5.041 1.00 0.00 C ATOM 183 O SER A 14 6.236 -5.534 6.169 1.00 0.00 O ATOM 184 CB SER A 14 4.915 -3.625 3.835 1.00 0.00 C ATOM 185 OG SER A 14 5.520 -2.634 4.661 1.00 0.00 O ATOM 0 H SER A 14 4.250 -3.953 6.498 1.00 0.00 H new ATOM 0 HA SER A 14 3.893 -5.492 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.608 -3.908 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.033 -3.205 3.352 1.00 0.00 H new ATOM 0 HG SER A 14 5.118 -2.663 5.554 1.00 0.00 H new ATOM 191 N ARG A 15 6.252 -6.455 4.104 1.00 0.00 N ATOM 192 CA ARG A 15 7.432 -7.266 4.353 1.00 0.00 C ATOM 193 C ARG A 15 8.593 -6.384 4.817 1.00 0.00 C ATOM 194 O ARG A 15 9.523 -6.864 5.463 1.00 0.00 O ATOM 195 CB ARG A 15 7.852 -8.030 3.096 1.00 0.00 C ATOM 196 CG ARG A 15 8.104 -7.071 1.930 1.00 0.00 C ATOM 197 CD ARG A 15 8.830 -7.780 0.785 1.00 0.00 C ATOM 198 NE ARG A 15 10.294 -7.694 0.983 1.00 0.00 N ATOM 199 CZ ARG A 15 11.199 -8.026 0.052 1.00 0.00 C ATOM 200 NH1 ARG A 15 10.795 -8.469 -1.147 1.00 0.00 N ATOM 201 NH2 ARG A 15 12.507 -7.916 0.320 1.00 0.00 N ATOM 0 H ARG A 15 5.855 -6.556 3.170 1.00 0.00 H new ATOM 0 HA ARG A 15 7.181 -7.985 5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.755 -8.605 3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.075 -8.744 2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.155 -6.671 1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.698 -6.224 2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.522 -8.825 0.740 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.556 -7.325 -0.167 1.00 0.00 H new ATOM 0 HE ARG A 15 10.636 -7.361 1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.799 -8.553 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.484 -8.722 -1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.814 -7.580 1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.196 -8.169 -0.389 1.00 0.00 H new ATOM 215 N ASP A 16 8.502 -5.109 4.468 1.00 0.00 N ATOM 216 CA ASP A 16 9.533 -4.155 4.840 1.00 0.00 C ATOM 217 C ASP A 16 9.325 -3.728 6.295 1.00 0.00 C ATOM 218 O ASP A 16 10.289 -3.567 7.042 1.00 0.00 O ATOM 219 CB ASP A 16 9.466 -2.902 3.965 1.00 0.00 C ATOM 220 CG ASP A 16 10.719 -2.629 3.130 1.00 0.00 C ATOM 221 OD1 ASP A 16 10.794 -3.195 2.018 1.00 0.00 O ATOM 222 OD2 ASP A 16 11.573 -1.860 3.623 1.00 0.00 O ATOM 0 H ASP A 16 7.730 -4.714 3.931 1.00 0.00 H new ATOM 0 HA ASP A 16 10.502 -4.636 4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.612 -2.991 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.279 -2.040 4.605 1.00 0.00 H new ATOM 227 N GLY A 17 8.061 -3.556 6.653 1.00 0.00 N ATOM 228 CA GLY A 17 7.715 -3.151 8.004 1.00 0.00 C ATOM 229 C GLY A 17 6.254 -2.702 8.085 1.00 0.00 C ATOM 230 O GLY A 17 5.600 -2.519 7.060 1.00 0.00 O ATOM 0 H GLY A 17 7.264 -3.690 6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.883 -3.981 8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.367 -2.338 8.322 1.00 0.00 H new ATOM 234 N LEU A 18 5.786 -2.540 9.313 1.00 0.00 N ATOM 235 CA LEU A 18 4.414 -2.116 9.541 1.00 0.00 C ATOM 236 C LEU A 18 4.292 -0.619 9.250 1.00 0.00 C ATOM 237 O LEU A 18 4.713 0.210 10.055 1.00 0.00 O ATOM 238 CB LEU A 18 3.960 -2.508 10.949 1.00 0.00 C ATOM 239 CG LEU A 18 2.732 -1.770 11.486 1.00 0.00 C ATOM 240 CD1 LEU A 18 1.447 -2.314 10.859 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.688 -1.820 13.015 1.00 0.00 C ATOM 0 H LEU A 18 6.331 -2.694 10.161 1.00 0.00 H new ATOM 0 HA LEU A 18 3.738 -2.630 8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.749 -3.577 10.957 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.789 -2.341 11.637 1.00 0.00 H new ATOM 0 HG LEU A 18 2.812 -0.721 11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.590 -1.772 11.258 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.487 -2.184 9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.348 -3.374 11.094 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.806 -1.288 13.371 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.643 -2.858 13.344 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.584 -1.349 13.420 1.00 0.00 H new ATOM 253 N GLU A 19 3.714 -0.319 8.096 1.00 0.00 N ATOM 254 CA GLU A 19 3.531 1.064 7.688 1.00 0.00 C ATOM 255 C GLU A 19 2.065 1.474 7.845 1.00 0.00 C ATOM 256 O GLU A 19 1.182 0.620 7.913 1.00 0.00 O ATOM 257 CB GLU A 19 4.011 1.280 6.252 1.00 0.00 C ATOM 258 CG GLU A 19 5.514 1.561 6.212 1.00 0.00 C ATOM 259 CD GLU A 19 6.017 1.655 4.770 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.671 2.660 4.113 1.00 0.00 O ATOM 261 OE2 GLU A 19 6.735 0.718 4.357 1.00 0.00 O ATOM 0 H GLU A 19 3.366 -1.010 7.431 1.00 0.00 H new ATOM 0 HA GLU A 19 4.136 1.697 8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.787 0.397 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.470 2.114 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.727 2.492 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.049 0.770 6.737 1.00 0.00 H new ATOM 268 N ARG A 20 1.852 2.780 7.897 1.00 0.00 N ATOM 269 CA ARG A 20 0.508 3.314 8.044 1.00 0.00 C ATOM 270 C ARG A 20 0.175 4.242 6.874 1.00 0.00 C ATOM 271 O ARG A 20 1.069 4.840 6.278 1.00 0.00 O ATOM 272 CB ARG A 20 0.363 4.086 9.356 1.00 0.00 C ATOM 273 CG ARG A 20 1.323 5.277 9.401 1.00 0.00 C ATOM 274 CD ARG A 20 0.683 6.470 10.115 1.00 0.00 C ATOM 275 NE ARG A 20 0.772 6.289 11.581 1.00 0.00 N ATOM 276 CZ ARG A 20 1.883 6.505 12.298 1.00 0.00 C ATOM 277 NH1 ARG A 20 3.006 6.909 11.689 1.00 0.00 N ATOM 278 NH2 ARG A 20 1.872 6.315 13.625 1.00 0.00 N ATOM 0 H ARG A 20 2.587 3.485 7.840 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.184 2.472 8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.663 4.437 9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.562 3.422 10.197 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.240 4.990 9.915 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.602 5.562 8.387 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.186 7.392 9.823 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.360 6.567 9.815 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.065 5.981 12.076 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.015 7.052 10.679 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.852 7.073 12.235 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.018 6.006 14.089 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.718 6.479 14.171 1.00 0.00 H new ATOM 292 N VAL A 21 -1.114 4.333 6.581 1.00 0.00 N ATOM 293 CA VAL A 21 -1.576 5.178 5.493 1.00 0.00 C ATOM 294 C VAL A 21 -2.987 5.679 5.807 1.00 0.00 C ATOM 295 O VAL A 21 -3.779 4.969 6.425 1.00 0.00 O ATOM 296 CB VAL A 21 -1.493 4.418 4.168 1.00 0.00 C ATOM 297 CG1 VAL A 21 -1.906 5.312 2.997 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.091 3.845 3.952 1.00 0.00 C ATOM 0 H VAL A 21 -1.853 3.836 7.078 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.935 6.053 5.391 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.193 3.583 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.838 4.748 2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.932 5.651 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.243 6.175 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.059 3.310 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.635 4.657 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.151 3.159 4.764 1.00 0.00 H new ATOM 308 N SER A 22 -3.259 6.899 5.367 1.00 0.00 N ATOM 309 CA SER A 22 -4.561 7.504 5.593 1.00 0.00 C ATOM 310 C SER A 22 -5.488 7.206 4.413 1.00 0.00 C ATOM 311 O SER A 22 -5.041 7.140 3.269 1.00 0.00 O ATOM 312 CB SER A 22 -4.438 9.014 5.804 1.00 0.00 C ATOM 313 OG SER A 22 -5.629 9.576 6.348 1.00 0.00 O ATOM 0 H SER A 22 -2.600 7.485 4.855 1.00 0.00 H new ATOM 0 HA SER A 22 -4.986 7.072 6.499 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.602 9.220 6.472 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.212 9.496 4.853 1.00 0.00 H new ATOM 0 HG SER A 22 -5.510 10.541 6.469 1.00 0.00 H new ATOM 319 N VAL A 23 -6.763 7.034 4.732 1.00 0.00 N ATOM 320 CA VAL A 23 -7.757 6.745 3.713 1.00 0.00 C ATOM 321 C VAL A 23 -8.974 7.649 3.922 1.00 0.00 C ATOM 322 O VAL A 23 -8.902 8.631 4.659 1.00 0.00 O ATOM 323 CB VAL A 23 -8.108 5.256 3.731 1.00 0.00 C ATOM 324 CG1 VAL A 23 -6.849 4.394 3.613 1.00 0.00 C ATOM 325 CG2 VAL A 23 -8.903 4.896 4.988 1.00 0.00 C ATOM 0 H VAL A 23 -7.130 7.089 5.682 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.360 6.959 2.721 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.737 5.050 2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.127 3.340 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.339 4.621 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.183 4.606 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.140 3.832 4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.309 5.126 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.827 5.473 5.012 1.00 0.00 H new ATOM 335 N ASP A 24 -10.062 7.284 3.261 1.00 0.00 N ATOM 336 CA ASP A 24 -11.293 8.050 3.365 1.00 0.00 C ATOM 337 C ASP A 24 -12.268 7.316 4.288 1.00 0.00 C ATOM 338 O ASP A 24 -12.647 7.837 5.336 1.00 0.00 O ATOM 339 CB ASP A 24 -11.962 8.206 1.998 1.00 0.00 C ATOM 340 CG ASP A 24 -11.027 8.632 0.865 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.130 7.825 0.536 1.00 0.00 O ATOM 342 OD2 ASP A 24 -11.229 9.754 0.353 1.00 0.00 O ATOM 0 H ASP A 24 -10.117 6.468 2.651 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.045 9.036 3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.427 7.258 1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.762 8.941 2.084 1.00 0.00 H new ATOM 347 N GLY A 25 -12.646 6.119 3.865 1.00 0.00 N ATOM 348 CA GLY A 25 -13.570 5.309 4.641 1.00 0.00 C ATOM 349 C GLY A 25 -14.010 4.073 3.853 1.00 0.00 C ATOM 350 O GLY A 25 -13.323 3.647 2.925 1.00 0.00 O ATOM 0 H GLY A 25 -12.330 5.690 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.095 5.001 5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.443 5.903 4.910 1.00 0.00 H new ATOM 354 N PRO A 26 -15.182 3.519 4.262 1.00 0.00 N ATOM 355 CA PRO A 26 -15.722 2.340 3.604 1.00 0.00 C ATOM 356 C PRO A 26 -16.326 2.699 2.245 1.00 0.00 C ATOM 357 O PRO A 26 -16.421 1.850 1.360 1.00 0.00 O ATOM 358 CB PRO A 26 -16.745 1.780 4.579 1.00 0.00 C ATOM 359 CG PRO A 26 -17.075 2.915 5.535 1.00 0.00 C ATOM 360 CD PRO A 26 -16.022 3.996 5.356 1.00 0.00 C ATOM 0 HA PRO A 26 -14.957 1.597 3.378 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.638 1.439 4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.343 0.921 5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.069 3.312 5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.083 2.557 6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.478 4.956 5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.442 4.138 6.268 1.00 0.00 H new ATOM 368 N HIS A 27 -16.718 3.959 2.121 1.00 0.00 N ATOM 369 CA HIS A 27 -17.310 4.440 0.885 1.00 0.00 C ATOM 370 C HIS A 27 -16.345 4.193 -0.276 1.00 0.00 C ATOM 371 O HIS A 27 -16.747 4.217 -1.438 1.00 0.00 O ATOM 372 CB HIS A 27 -17.718 5.909 1.014 1.00 0.00 C ATOM 373 CG HIS A 27 -16.664 6.787 1.645 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.820 8.153 1.800 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.438 6.478 2.157 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.731 8.635 2.381 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.876 7.596 2.601 1.00 0.00 N ATOM 0 H HIS A 27 -16.637 4.661 2.857 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.225 3.886 0.676 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.955 6.298 0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.630 5.971 1.607 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.635 8.697 1.515 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.999 5.492 2.195 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.552 9.669 2.636 1.00 0.00 H new ATOM 385 N ILE A 28 -15.090 3.961 0.079 1.00 0.00 N ATOM 386 CA ILE A 28 -14.064 3.709 -0.919 1.00 0.00 C ATOM 387 C ILE A 28 -13.930 2.201 -1.138 1.00 0.00 C ATOM 388 O ILE A 28 -14.445 1.408 -0.351 1.00 0.00 O ATOM 389 CB ILE A 28 -12.753 4.392 -0.524 1.00 0.00 C ATOM 390 CG1 ILE A 28 -12.050 3.623 0.596 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.989 5.858 -0.153 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.740 3.008 0.099 1.00 0.00 C ATOM 0 H ILE A 28 -14.760 3.942 1.044 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.349 4.146 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.088 4.381 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.847 4.294 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.706 2.837 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.042 6.320 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.414 6.385 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.679 5.914 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.260 2.467 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.949 2.320 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.077 3.799 -0.252 1.00 0.00 H new ATOM 404 N THR A 29 -13.235 1.850 -2.210 1.00 0.00 N ATOM 405 CA THR A 29 -13.027 0.451 -2.541 1.00 0.00 C ATOM 406 C THR A 29 -11.532 0.128 -2.579 1.00 0.00 C ATOM 407 O THR A 29 -10.698 1.033 -2.608 1.00 0.00 O ATOM 408 CB THR A 29 -13.743 0.166 -3.863 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.168 1.095 -4.777 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.223 0.552 -3.821 1.00 0.00 C ATOM 0 H THR A 29 -12.809 2.510 -2.860 1.00 0.00 H new ATOM 0 HA THR A 29 -13.450 -0.202 -1.778 1.00 0.00 H new ATOM 0 HB THR A 29 -13.650 -0.893 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.597 1.000 -5.653 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.684 0.330 -4.783 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.725 -0.016 -3.038 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.315 1.618 -3.612 1.00 0.00 H new ATOM 418 N VAL A 30 -11.237 -1.163 -2.578 1.00 0.00 N ATOM 419 CA VAL A 30 -9.857 -1.616 -2.612 1.00 0.00 C ATOM 420 C VAL A 30 -9.087 -0.813 -3.662 1.00 0.00 C ATOM 421 O VAL A 30 -7.914 -0.497 -3.470 1.00 0.00 O ATOM 422 CB VAL A 30 -9.807 -3.125 -2.859 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.372 -3.593 -3.107 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.441 -3.892 -1.696 1.00 0.00 C ATOM 0 H VAL A 30 -11.931 -1.911 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.374 -1.441 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.388 -3.337 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.365 -4.669 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.969 -3.083 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.758 -3.361 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.393 -4.962 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.900 -3.670 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.483 -3.590 -1.586 1.00 0.00 H new ATOM 434 N SER A 31 -9.778 -0.506 -4.750 1.00 0.00 N ATOM 435 CA SER A 31 -9.174 0.254 -5.831 1.00 0.00 C ATOM 436 C SER A 31 -8.611 1.571 -5.293 1.00 0.00 C ATOM 437 O SER A 31 -7.424 1.854 -5.451 1.00 0.00 O ATOM 438 CB SER A 31 -10.185 0.525 -6.946 1.00 0.00 C ATOM 439 OG SER A 31 -11.118 1.541 -6.586 1.00 0.00 O ATOM 0 H SER A 31 -10.751 -0.770 -4.906 1.00 0.00 H new ATOM 0 HA SER A 31 -8.360 -0.337 -6.252 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.655 0.823 -7.851 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.722 -0.394 -7.179 1.00 0.00 H new ATOM 0 HG SER A 31 -11.759 1.181 -5.938 1.00 0.00 H new ATOM 445 N GLN A 32 -9.489 2.342 -4.669 1.00 0.00 N ATOM 446 CA GLN A 32 -9.094 3.623 -4.107 1.00 0.00 C ATOM 447 C GLN A 32 -8.075 3.419 -2.984 1.00 0.00 C ATOM 448 O GLN A 32 -7.202 4.259 -2.773 1.00 0.00 O ATOM 449 CB GLN A 32 -10.313 4.401 -3.606 1.00 0.00 C ATOM 450 CG GLN A 32 -11.236 4.779 -4.766 1.00 0.00 C ATOM 451 CD GLN A 32 -12.157 5.938 -4.378 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.796 7.102 -4.448 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.362 5.557 -3.965 1.00 0.00 N ATOM 0 H GLN A 32 -10.473 2.105 -4.540 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.625 4.213 -4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.861 3.798 -2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.986 5.303 -3.088 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.639 5.059 -5.634 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.835 3.915 -5.056 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.599 4.566 -3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.049 6.256 -3.683 1.00 0.00 H new ATOM 462 N LEU A 33 -8.220 2.297 -2.294 1.00 0.00 N ATOM 463 CA LEU A 33 -7.323 1.972 -1.198 1.00 0.00 C ATOM 464 C LEU A 33 -5.908 1.769 -1.746 1.00 0.00 C ATOM 465 O LEU A 33 -4.954 2.363 -1.245 1.00 0.00 O ATOM 466 CB LEU A 33 -7.854 0.774 -0.408 1.00 0.00 C ATOM 467 CG LEU A 33 -6.905 0.186 0.638 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.232 1.294 1.451 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.630 -0.821 1.532 1.00 0.00 C ATOM 0 H LEU A 33 -8.945 1.602 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.275 2.797 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.774 1.074 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.117 -0.014 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.116 -0.356 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.563 0.849 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.660 1.939 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.993 1.884 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.933 -1.224 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.452 -0.324 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.022 -1.634 0.921 1.00 0.00 H new ATOM 481 N LYS A 34 -5.818 0.929 -2.766 1.00 0.00 N ATOM 482 CA LYS A 34 -4.536 0.641 -3.387 1.00 0.00 C ATOM 483 C LYS A 34 -3.882 1.952 -3.829 1.00 0.00 C ATOM 484 O LYS A 34 -2.870 2.365 -3.266 1.00 0.00 O ATOM 485 CB LYS A 34 -4.705 -0.374 -4.519 1.00 0.00 C ATOM 486 CG LYS A 34 -5.123 -1.741 -3.973 1.00 0.00 C ATOM 487 CD LYS A 34 -5.839 -2.565 -5.045 1.00 0.00 C ATOM 488 CE LYS A 34 -5.486 -4.048 -4.923 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.320 -4.857 -5.839 1.00 0.00 N ATOM 0 H LYS A 34 -6.612 0.438 -3.178 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.862 0.174 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.455 -0.016 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.769 -0.469 -5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.243 -2.281 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.779 -1.608 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.917 -2.435 -4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.561 -2.201 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.431 -4.197 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.636 -4.380 -3.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.067 -5.861 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.324 -4.728 -5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.156 -4.551 -6.819 1.00 0.00 H new ATOM 503 N THR A 35 -4.488 2.569 -4.833 1.00 0.00 N ATOM 504 CA THR A 35 -3.977 3.824 -5.357 1.00 0.00 C ATOM 505 C THR A 35 -3.354 4.656 -4.234 1.00 0.00 C ATOM 506 O THR A 35 -2.258 5.194 -4.390 1.00 0.00 O ATOM 507 CB THR A 35 -5.123 4.537 -6.077 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.239 3.844 -7.316 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.761 5.967 -6.482 1.00 0.00 C ATOM 0 H THR A 35 -5.328 2.223 -5.297 1.00 0.00 H new ATOM 0 HA THR A 35 -3.176 3.655 -6.077 1.00 0.00 H new ATOM 0 HB THR A 35 -6.002 4.554 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.961 4.241 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.609 6.427 -6.989 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.513 6.545 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.903 5.949 -7.154 1.00 0.00 H new ATOM 517 N LEU A 36 -4.078 4.737 -3.128 1.00 0.00 N ATOM 518 CA LEU A 36 -3.610 5.494 -1.980 1.00 0.00 C ATOM 519 C LEU A 36 -2.226 4.988 -1.571 1.00 0.00 C ATOM 520 O LEU A 36 -1.227 5.683 -1.754 1.00 0.00 O ATOM 521 CB LEU A 36 -4.641 5.446 -0.850 1.00 0.00 C ATOM 522 CG LEU A 36 -5.725 6.525 -0.885 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.777 6.281 0.198 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.111 7.923 -0.784 1.00 0.00 C ATOM 0 H LEU A 36 -4.986 4.290 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.502 6.548 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.127 4.470 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.113 5.520 0.101 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.234 6.466 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.536 7.062 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.246 5.310 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.300 6.297 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.903 8.671 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.560 8.012 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.432 8.083 -1.621 1.00 0.00 H new ATOM 536 N ILE A 37 -2.209 3.781 -1.024 1.00 0.00 N ATOM 537 CA ILE A 37 -0.964 3.174 -0.587 1.00 0.00 C ATOM 538 C ILE A 37 0.017 3.133 -1.761 1.00 0.00 C ATOM 539 O ILE A 37 1.206 3.399 -1.591 1.00 0.00 O ATOM 540 CB ILE A 37 -1.227 1.805 0.043 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.827 1.952 1.443 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.043 0.951 0.050 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.340 1.727 1.417 1.00 0.00 C ATOM 0 H ILE A 37 -3.039 3.207 -0.874 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.501 3.775 0.196 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.962 1.283 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.361 1.236 2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.610 2.946 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.172 -0.017 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.388 0.804 -0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.818 1.457 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.742 1.837 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.806 2.460 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.552 0.723 1.050 1.00 0.00 H new ATOM 555 N GLN A 38 -0.517 2.796 -2.926 1.00 0.00 N ATOM 556 CA GLN A 38 0.296 2.716 -4.127 1.00 0.00 C ATOM 557 C GLN A 38 1.081 4.015 -4.325 1.00 0.00 C ATOM 558 O GLN A 38 2.203 3.997 -4.827 1.00 0.00 O ATOM 559 CB GLN A 38 -0.565 2.404 -5.353 1.00 0.00 C ATOM 560 CG GLN A 38 0.074 2.960 -6.627 1.00 0.00 C ATOM 561 CD GLN A 38 -0.557 4.299 -7.017 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.607 5.239 -6.242 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.033 4.331 -8.258 1.00 0.00 N ATOM 0 H GLN A 38 -1.503 2.575 -3.063 1.00 0.00 H new ATOM 0 HA GLN A 38 1.007 1.899 -4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.693 1.326 -5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.559 2.833 -5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.145 3.089 -6.474 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.048 2.245 -7.441 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.958 3.507 -8.854 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.473 5.180 -8.614 1.00 0.00 H new ATOM 572 N ASP A 39 0.458 5.112 -3.918 1.00 0.00 N ATOM 573 CA ASP A 39 1.084 6.417 -4.044 1.00 0.00 C ATOM 574 C ASP A 39 1.870 6.727 -2.768 1.00 0.00 C ATOM 575 O ASP A 39 3.078 6.949 -2.818 1.00 0.00 O ATOM 576 CB ASP A 39 0.035 7.515 -4.231 1.00 0.00 C ATOM 577 CG ASP A 39 0.454 8.660 -5.155 1.00 0.00 C ATOM 578 OD1 ASP A 39 1.093 9.602 -4.639 1.00 0.00 O ATOM 579 OD2 ASP A 39 0.126 8.568 -6.358 1.00 0.00 O ATOM 0 H ASP A 39 -0.473 5.123 -3.501 1.00 0.00 H new ATOM 0 HA ASP A 39 1.741 6.393 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.875 7.064 -4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.213 7.929 -3.254 1.00 0.00 H new ATOM 584 N GLN A 40 1.151 6.731 -1.655 1.00 0.00 N ATOM 585 CA GLN A 40 1.766 7.009 -0.368 1.00 0.00 C ATOM 586 C GLN A 40 3.008 6.135 -0.174 1.00 0.00 C ATOM 587 O GLN A 40 4.098 6.647 0.076 1.00 0.00 O ATOM 588 CB GLN A 40 0.768 6.805 0.772 1.00 0.00 C ATOM 589 CG GLN A 40 0.039 8.109 1.103 1.00 0.00 C ATOM 590 CD GLN A 40 -0.938 7.912 2.264 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.556 7.662 3.395 1.00 0.00 O ATOM 592 NE2 GLN A 40 -2.217 8.038 1.922 1.00 0.00 N ATOM 0 H GLN A 40 0.149 6.546 -1.618 1.00 0.00 H new ATOM 0 HA GLN A 40 2.075 8.054 -0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.043 6.040 0.493 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.291 6.442 1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.765 8.880 1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.501 8.461 0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.468 8.248 0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.947 7.924 2.626 1.00 0.00 H new ATOM 601 N LEU A 41 2.800 4.833 -0.295 1.00 0.00 N ATOM 602 CA LEU A 41 3.888 3.883 -0.135 1.00 0.00 C ATOM 603 C LEU A 41 4.715 3.840 -1.422 1.00 0.00 C ATOM 604 O LEU A 41 5.839 3.341 -1.425 1.00 0.00 O ATOM 605 CB LEU A 41 3.350 2.518 0.296 1.00 0.00 C ATOM 606 CG LEU A 41 2.464 2.509 1.544 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.369 1.103 2.138 1.00 0.00 C ATOM 608 CD2 LEU A 41 2.954 3.533 2.570 1.00 0.00 C ATOM 0 H LEU A 41 1.894 4.413 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 41 4.557 4.202 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.781 2.096 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.197 1.855 0.471 1.00 0.00 H new ATOM 0 HG LEU A 41 1.456 2.803 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.734 1.124 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.940 0.425 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.365 0.757 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.308 3.507 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.976 3.293 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.928 4.530 2.130 1.00 0.00 H new ATOM 620 N GLN A 42 4.126 4.371 -2.484 1.00 0.00 N ATOM 621 CA GLN A 42 4.794 4.399 -3.774 1.00 0.00 C ATOM 622 C GLN A 42 5.008 2.975 -4.292 1.00 0.00 C ATOM 623 O GLN A 42 6.128 2.597 -4.632 1.00 0.00 O ATOM 624 CB GLN A 42 6.120 5.157 -3.688 1.00 0.00 C ATOM 625 CG GLN A 42 5.883 6.662 -3.543 1.00 0.00 C ATOM 626 CD GLN A 42 5.100 7.211 -4.737 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.093 6.648 -5.820 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.442 8.338 -4.480 1.00 0.00 N ATOM 0 H GLN A 42 3.194 4.785 -2.477 1.00 0.00 H new ATOM 0 HA GLN A 42 4.156 4.929 -4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.697 4.793 -2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.713 4.963 -4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.335 6.860 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.840 7.178 -3.462 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.491 8.757 -3.551 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.889 8.784 -5.212 1.00 0.00 H new ATOM 637 N ILE A 43 3.917 2.225 -4.335 1.00 0.00 N ATOM 638 CA ILE A 43 3.972 0.852 -4.806 1.00 0.00 C ATOM 639 C ILE A 43 2.898 0.640 -5.875 1.00 0.00 C ATOM 640 O ILE A 43 1.795 1.174 -5.765 1.00 0.00 O ATOM 641 CB ILE A 43 3.870 -0.122 -3.631 1.00 0.00 C ATOM 642 CG1 ILE A 43 4.944 0.171 -2.581 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.922 -1.573 -4.114 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.542 -0.387 -1.214 1.00 0.00 C ATOM 0 H ILE A 43 2.990 2.542 -4.051 1.00 0.00 H new ATOM 0 HA ILE A 43 4.934 0.649 -5.276 1.00 0.00 H new ATOM 0 HB ILE A 43 2.902 0.023 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.892 -0.268 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.101 1.247 -2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.848 -2.244 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.092 -1.760 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.864 -1.750 -4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.323 -0.165 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.607 0.072 -0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.410 -1.467 -1.286 1.00 0.00 H new ATOM 656 N PRO A 44 3.267 -0.160 -6.910 1.00 0.00 N ATOM 657 CA PRO A 44 2.347 -0.449 -7.998 1.00 0.00 C ATOM 658 C PRO A 44 1.277 -1.451 -7.559 1.00 0.00 C ATOM 659 O PRO A 44 1.594 -2.494 -6.990 1.00 0.00 O ATOM 660 CB PRO A 44 3.223 -0.971 -9.125 1.00 0.00 C ATOM 661 CG PRO A 44 4.531 -1.392 -8.476 1.00 0.00 C ATOM 662 CD PRO A 44 4.564 -0.810 -7.073 1.00 0.00 C ATOM 0 HA PRO A 44 1.787 0.429 -8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.749 -1.813 -9.630 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.391 -0.201 -9.878 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.607 -2.479 -8.440 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.379 -1.032 -9.058 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.713 -1.589 -6.325 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.381 -0.097 -6.959 1.00 0.00 H new ATOM 670 N ILE A 45 0.031 -1.099 -7.842 1.00 0.00 N ATOM 671 CA ILE A 45 -1.088 -1.954 -7.484 1.00 0.00 C ATOM 672 C ILE A 45 -0.792 -3.387 -7.931 1.00 0.00 C ATOM 673 O ILE A 45 -0.774 -4.305 -7.113 1.00 0.00 O ATOM 674 CB ILE A 45 -2.394 -1.391 -8.047 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.493 0.116 -7.801 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.602 -2.144 -7.487 1.00 0.00 C ATOM 677 CD1 ILE A 45 -3.949 0.584 -7.843 1.00 0.00 C ATOM 0 H ILE A 45 -0.228 -0.233 -8.315 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.219 -1.978 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.393 -1.541 -9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.057 0.359 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.914 0.650 -8.554 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.518 -1.724 -7.903 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.531 -3.198 -7.757 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.619 -2.048 -6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.991 1.659 -7.665 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.375 0.361 -8.821 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.520 0.066 -7.072 1.00 0.00 H new ATOM 689 N HIS A 46 -0.567 -3.534 -9.228 1.00 0.00 N ATOM 690 CA HIS A 46 -0.274 -4.839 -9.794 1.00 0.00 C ATOM 691 C HIS A 46 0.633 -5.620 -8.840 1.00 0.00 C ATOM 692 O HIS A 46 0.578 -6.847 -8.791 1.00 0.00 O ATOM 693 CB HIS A 46 0.321 -4.702 -11.197 1.00 0.00 C ATOM 694 CG HIS A 46 0.927 -3.348 -11.478 1.00 0.00 C ATOM 695 ND1 HIS A 46 0.162 -2.211 -11.674 1.00 0.00 N ATOM 696 CD2 HIS A 46 2.229 -2.961 -11.593 1.00 0.00 C ATOM 697 CE1 HIS A 46 0.979 -1.191 -11.896 1.00 0.00 C ATOM 698 NE2 HIS A 46 2.259 -1.658 -11.846 1.00 0.00 N ATOM 0 H HIS A 46 -0.582 -2.770 -9.904 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.198 -5.405 -9.908 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.086 -5.466 -11.332 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.459 -4.899 -11.932 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.090 -3.605 -11.495 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.683 -0.169 -12.084 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.101 -1.098 -11.981 1.00 0.00 H new ATOM 706 N ASN A 47 1.446 -4.875 -8.106 1.00 0.00 N ATOM 707 CA ASN A 47 2.363 -5.481 -7.156 1.00 0.00 C ATOM 708 C ASN A 47 1.693 -5.555 -5.783 1.00 0.00 C ATOM 709 O ASN A 47 1.764 -6.582 -5.108 1.00 0.00 O ATOM 710 CB ASN A 47 3.640 -4.650 -7.015 1.00 0.00 C ATOM 711 CG ASN A 47 4.605 -4.927 -8.169 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.280 -5.593 -9.139 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.807 -4.380 -8.012 1.00 0.00 N ATOM 0 H ASN A 47 1.489 -3.857 -8.150 1.00 0.00 H new ATOM 0 HA ASN A 47 2.619 -6.475 -7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.388 -3.590 -6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.126 -4.881 -6.067 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.522 -4.507 -8.728 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.013 -3.834 -7.176 1.00 0.00 H new ATOM 720 N GLN A 48 1.058 -4.454 -5.409 1.00 0.00 N ATOM 721 CA GLN A 48 0.376 -4.381 -4.128 1.00 0.00 C ATOM 722 C GLN A 48 -0.616 -5.538 -3.989 1.00 0.00 C ATOM 723 O GLN A 48 -1.326 -5.870 -4.937 1.00 0.00 O ATOM 724 CB GLN A 48 -0.327 -3.033 -3.957 1.00 0.00 C ATOM 725 CG GLN A 48 0.665 -1.876 -4.098 1.00 0.00 C ATOM 726 CD GLN A 48 0.168 -0.635 -3.353 1.00 0.00 C ATOM 727 OE1 GLN A 48 0.851 -0.067 -2.516 1.00 0.00 O ATOM 728 NE2 GLN A 48 -1.055 -0.248 -3.703 1.00 0.00 N ATOM 0 H GLN A 48 1.001 -3.605 -5.971 1.00 0.00 H new ATOM 0 HA GLN A 48 1.120 -4.468 -3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.116 -2.933 -4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.805 -2.990 -2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.637 -2.175 -3.706 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.806 -1.639 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.572 -0.769 -4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.476 0.570 -3.263 1.00 0.00 H new ATOM 737 N THR A 49 -0.632 -6.121 -2.799 1.00 0.00 N ATOM 738 CA THR A 49 -1.525 -7.233 -2.523 1.00 0.00 C ATOM 739 C THR A 49 -2.215 -7.041 -1.171 1.00 0.00 C ATOM 740 O THR A 49 -1.560 -7.045 -0.130 1.00 0.00 O ATOM 741 CB THR A 49 -0.711 -8.526 -2.611 1.00 0.00 C ATOM 742 OG1 THR A 49 -0.035 -8.425 -3.861 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.595 -9.765 -2.764 1.00 0.00 C ATOM 0 H THR A 49 -0.041 -5.844 -2.015 1.00 0.00 H new ATOM 0 HA THR A 49 -2.328 -7.286 -3.258 1.00 0.00 H new ATOM 0 HB THR A 49 -0.094 -8.629 -1.718 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.832 -7.987 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.968 -10.655 -2.822 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.261 -9.845 -1.905 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.187 -9.679 -3.675 1.00 0.00 H new ATOM 751 N LEU A 50 -3.529 -6.877 -1.231 1.00 0.00 N ATOM 752 CA LEU A 50 -4.314 -6.683 -0.024 1.00 0.00 C ATOM 753 C LEU A 50 -4.811 -8.040 0.479 1.00 0.00 C ATOM 754 O LEU A 50 -5.283 -8.862 -0.305 1.00 0.00 O ATOM 755 CB LEU A 50 -5.435 -5.671 -0.272 1.00 0.00 C ATOM 756 CG LEU A 50 -5.006 -4.206 -0.369 1.00 0.00 C ATOM 757 CD1 LEU A 50 -3.957 -3.870 0.692 1.00 0.00 C ATOM 758 CD2 LEU A 50 -4.522 -3.869 -1.781 1.00 0.00 C ATOM 0 H LEU A 50 -4.069 -6.875 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.698 -6.255 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.944 -5.942 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.165 -5.763 0.532 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.877 -3.581 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.670 -2.823 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.373 -4.047 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.080 -4.501 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.223 -2.822 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.670 -4.500 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.328 -4.045 -2.494 1.00 0.00 H new ATOM 770 N SER A 51 -4.687 -8.232 1.784 1.00 0.00 N ATOM 771 CA SER A 51 -5.118 -9.475 2.401 1.00 0.00 C ATOM 772 C SER A 51 -5.261 -9.287 3.913 1.00 0.00 C ATOM 773 O SER A 51 -4.599 -8.433 4.501 1.00 0.00 O ATOM 774 CB SER A 51 -4.136 -10.609 2.098 1.00 0.00 C ATOM 775 OG SER A 51 -4.555 -11.845 2.671 1.00 0.00 O ATOM 0 H SER A 51 -4.294 -7.548 2.431 1.00 0.00 H new ATOM 0 HA SER A 51 -6.087 -9.747 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.037 -10.725 1.019 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.150 -10.347 2.482 1.00 0.00 H new ATOM 0 HG SER A 51 -3.871 -12.165 3.296 1.00 0.00 H new ATOM 781 N THR A 52 -6.129 -10.099 4.499 1.00 0.00 N ATOM 782 CA THR A 52 -6.367 -10.032 5.930 1.00 0.00 C ATOM 783 C THR A 52 -5.650 -11.180 6.644 1.00 0.00 C ATOM 784 O THR A 52 -6.142 -11.696 7.647 1.00 0.00 O ATOM 785 CB THR A 52 -7.880 -10.026 6.158 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.389 -10.878 5.135 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.511 -8.665 5.858 1.00 0.00 C ATOM 0 H THR A 52 -6.676 -10.807 4.008 1.00 0.00 H new ATOM 0 HA THR A 52 -5.956 -9.117 6.357 1.00 0.00 H new ATOM 0 HB THR A 52 -8.093 -10.306 7.190 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.365 -10.932 5.210 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.585 -8.715 6.036 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.071 -7.909 6.508 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.327 -8.400 4.817 1.00 0.00 H new ATOM 795 N ASN A 53 -4.499 -11.546 6.099 1.00 0.00 N ATOM 796 CA ASN A 53 -3.710 -12.624 6.672 1.00 0.00 C ATOM 797 C ASN A 53 -2.227 -12.252 6.609 1.00 0.00 C ATOM 798 O ASN A 53 -1.791 -11.578 5.677 1.00 0.00 O ATOM 799 CB ASN A 53 -3.905 -13.925 5.890 1.00 0.00 C ATOM 800 CG ASN A 53 -4.303 -15.070 6.824 1.00 0.00 C ATOM 801 OD1 ASN A 53 -3.764 -15.240 7.904 1.00 0.00 O ATOM 802 ND2 ASN A 53 -5.275 -15.843 6.347 1.00 0.00 N ATOM 0 H ASN A 53 -4.094 -11.116 5.268 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.035 -12.771 7.702 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.675 -13.786 5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.984 -14.181 5.367 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.612 -16.635 6.895 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.683 -15.644 5.434 1.00 0.00 H new ATOM 809 N ARG A 54 -1.492 -12.709 7.612 1.00 0.00 N ATOM 810 CA ARG A 54 -0.067 -12.433 7.683 1.00 0.00 C ATOM 811 C ARG A 54 0.702 -13.376 6.755 1.00 0.00 C ATOM 812 O ARG A 54 1.850 -13.108 6.405 1.00 0.00 O ATOM 813 CB ARG A 54 0.455 -12.595 9.111 1.00 0.00 C ATOM 814 CG ARG A 54 0.405 -14.060 9.551 1.00 0.00 C ATOM 815 CD ARG A 54 -0.683 -14.280 10.604 1.00 0.00 C ATOM 816 NE ARG A 54 -0.105 -14.930 11.801 1.00 0.00 N ATOM 817 CZ ARG A 54 0.576 -14.279 12.755 1.00 0.00 C ATOM 818 NH1 ARG A 54 0.768 -12.957 12.657 1.00 0.00 N ATOM 819 NH2 ARG A 54 1.065 -14.951 13.806 1.00 0.00 N ATOM 0 H ARG A 54 -1.857 -13.269 8.383 1.00 0.00 H new ATOM 0 HA ARG A 54 0.088 -11.401 7.368 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.480 -12.228 9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.141 -11.987 9.791 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.214 -14.696 8.687 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.373 -14.355 9.956 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.132 -13.326 10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.479 -14.900 10.192 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.233 -15.936 11.907 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.396 -12.446 11.857 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.286 -12.462 13.383 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.919 -15.958 13.880 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.583 -14.456 14.532 1.00 0.00 H new ATOM 833 N ASN A 55 0.039 -14.461 6.384 1.00 0.00 N ATOM 834 CA ASN A 55 0.646 -15.446 5.504 1.00 0.00 C ATOM 835 C ASN A 55 0.867 -14.822 4.125 1.00 0.00 C ATOM 836 O ASN A 55 1.620 -15.357 3.312 1.00 0.00 O ATOM 837 CB ASN A 55 -0.262 -16.665 5.332 1.00 0.00 C ATOM 838 CG ASN A 55 -0.540 -17.336 6.679 1.00 0.00 C ATOM 839 OD1 ASN A 55 0.110 -17.076 7.677 1.00 0.00 O ATOM 840 ND2 ASN A 55 -1.541 -18.212 6.650 1.00 0.00 N ATOM 0 H ASN A 55 -0.913 -14.680 6.677 1.00 0.00 H new ATOM 0 HA ASN A 55 1.590 -15.760 5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.202 -16.361 4.872 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.207 -17.380 4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.805 -18.713 7.498 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.044 -18.383 5.779 1.00 0.00 H new ATOM 847 N LEU A 56 0.198 -13.701 3.903 1.00 0.00 N ATOM 848 CA LEU A 56 0.312 -12.999 2.636 1.00 0.00 C ATOM 849 C LEU A 56 1.749 -12.504 2.460 1.00 0.00 C ATOM 850 O LEU A 56 2.324 -12.629 1.380 1.00 0.00 O ATOM 851 CB LEU A 56 -0.737 -11.889 2.541 1.00 0.00 C ATOM 852 CG LEU A 56 -1.074 -11.404 1.130 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.586 -9.970 0.912 1.00 0.00 C ATOM 854 CD2 LEU A 56 -0.524 -12.364 0.074 1.00 0.00 C ATOM 0 H LEU A 56 -0.426 -13.261 4.580 1.00 0.00 H new ATOM 0 HA LEU A 56 0.103 -13.674 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.655 -12.242 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.388 -11.036 3.123 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.159 -11.395 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.838 -9.650 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.067 -9.309 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.495 -9.929 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.778 -11.996 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.560 -12.430 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.962 -13.352 0.217 1.00 0.00 H new ATOM 866 N LEU A 57 2.287 -11.952 3.537 1.00 0.00 N ATOM 867 CA LEU A 57 3.646 -11.438 3.516 1.00 0.00 C ATOM 868 C LEU A 57 4.599 -12.546 3.066 1.00 0.00 C ATOM 869 O LEU A 57 5.709 -12.270 2.614 1.00 0.00 O ATOM 870 CB LEU A 57 4.009 -10.826 4.870 1.00 0.00 C ATOM 871 CG LEU A 57 2.992 -9.845 5.457 1.00 0.00 C ATOM 872 CD1 LEU A 57 3.477 -9.290 6.798 1.00 0.00 C ATOM 873 CD2 LEU A 57 2.666 -8.731 4.460 1.00 0.00 C ATOM 0 H LEU A 57 1.806 -11.849 4.431 1.00 0.00 H new ATOM 0 HA LEU A 57 3.735 -10.628 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.157 -11.636 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.964 -10.311 4.769 1.00 0.00 H new ATOM 0 HG LEU A 57 2.066 -10.387 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.736 -8.595 7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.618 -10.110 7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.423 -8.768 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.941 -8.048 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.577 -8.185 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.248 -9.166 3.552 1.00 0.00 H new ATOM 885 N LEU A 58 4.132 -13.778 3.206 1.00 0.00 N ATOM 886 CA LEU A 58 4.929 -14.930 2.820 1.00 0.00 C ATOM 887 C LEU A 58 4.945 -15.045 1.295 1.00 0.00 C ATOM 888 O LEU A 58 6.000 -15.247 0.695 1.00 0.00 O ATOM 889 CB LEU A 58 4.427 -16.190 3.527 1.00 0.00 C ATOM 890 CG LEU A 58 4.040 -16.025 4.998 1.00 0.00 C ATOM 891 CD1 LEU A 58 3.423 -17.312 5.551 1.00 0.00 C ATOM 892 CD2 LEU A 58 5.237 -15.561 5.831 1.00 0.00 C ATOM 0 H LEU A 58 3.211 -14.004 3.582 1.00 0.00 H new ATOM 0 HA LEU A 58 5.963 -14.803 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.560 -16.566 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.202 -16.954 3.459 1.00 0.00 H new ATOM 0 HG LEU A 58 3.279 -15.248 5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.157 -17.167 6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.528 -17.561 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.144 -18.126 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.935 -15.451 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.037 -16.298 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.593 -14.602 5.454 1.00 0.00 H new ATOM 904 N ALA A 59 3.763 -14.913 0.711 1.00 0.00 N ATOM 905 CA ALA A 59 3.628 -15.000 -0.733 1.00 0.00 C ATOM 906 C ALA A 59 4.670 -14.096 -1.394 1.00 0.00 C ATOM 907 O ALA A 59 4.578 -12.872 -1.310 1.00 0.00 O ATOM 908 CB ALA A 59 2.198 -14.632 -1.136 1.00 0.00 C ATOM 0 H ALA A 59 2.890 -14.746 1.212 1.00 0.00 H new ATOM 0 HA ALA A 59 3.811 -16.019 -1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.097 -14.697 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.498 -15.322 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.979 -13.615 -0.812 1.00 0.00 H new ATOM 914 N LYS A 60 5.638 -14.733 -2.037 1.00 0.00 N ATOM 915 CA LYS A 60 6.696 -14.002 -2.712 1.00 0.00 C ATOM 916 C LYS A 60 6.527 -14.148 -4.225 1.00 0.00 C ATOM 917 O LYS A 60 6.980 -13.298 -4.990 1.00 0.00 O ATOM 918 CB LYS A 60 8.067 -14.449 -2.200 1.00 0.00 C ATOM 919 CG LYS A 60 8.335 -13.899 -0.798 1.00 0.00 C ATOM 920 CD LYS A 60 9.102 -12.577 -0.865 1.00 0.00 C ATOM 921 CE LYS A 60 10.583 -12.816 -1.166 1.00 0.00 C ATOM 922 NZ LYS A 60 11.426 -12.290 -0.069 1.00 0.00 N ATOM 0 H LYS A 60 5.711 -15.748 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 60 6.628 -12.938 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.115 -15.538 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.844 -14.106 -2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.390 -13.749 -0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.906 -14.626 -0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.669 -11.940 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.001 -12.046 0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.767 -13.883 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.852 -12.331 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.428 -12.460 -0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.263 -11.268 0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.180 -12.772 0.819 1.00 0.00 H new ATOM 936 N SER A 61 5.873 -15.234 -4.613 1.00 0.00 N ATOM 937 CA SER A 61 5.638 -15.503 -6.022 1.00 0.00 C ATOM 938 C SER A 61 4.282 -14.934 -6.444 1.00 0.00 C ATOM 939 O SER A 61 3.388 -14.772 -5.615 1.00 0.00 O ATOM 940 CB SER A 61 5.699 -17.003 -6.313 1.00 0.00 C ATOM 941 OG SER A 61 4.808 -17.745 -5.485 1.00 0.00 O ATOM 0 H SER A 61 5.499 -15.937 -3.976 1.00 0.00 H new ATOM 0 HA SER A 61 6.424 -15.016 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.452 -17.179 -7.360 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.717 -17.360 -6.161 1.00 0.00 H new ATOM 0 HG SER A 61 4.876 -18.698 -5.703 1.00 0.00 H new ATOM 947 N PRO A 62 4.169 -14.640 -7.767 1.00 0.00 N ATOM 948 CA PRO A 62 2.936 -14.093 -8.309 1.00 0.00 C ATOM 949 C PRO A 62 1.860 -15.175 -8.422 1.00 0.00 C ATOM 950 O PRO A 62 0.726 -14.889 -8.806 1.00 0.00 O ATOM 951 CB PRO A 62 3.327 -13.501 -9.653 1.00 0.00 C ATOM 952 CG PRO A 62 4.654 -14.144 -10.022 1.00 0.00 C ATOM 953 CD PRO A 62 5.207 -14.819 -8.778 1.00 0.00 C ATOM 0 HA PRO A 62 2.494 -13.331 -7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.569 -13.710 -10.407 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.423 -12.417 -9.589 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.516 -14.872 -10.822 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.352 -13.393 -10.391 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.408 -15.875 -8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.147 -14.364 -8.465 1.00 0.00 H new ATOM 961 N SER A 63 2.252 -16.393 -8.080 1.00 0.00 N ATOM 962 CA SER A 63 1.335 -17.518 -8.138 1.00 0.00 C ATOM 963 C SER A 63 0.708 -17.754 -6.763 1.00 0.00 C ATOM 964 O SER A 63 -0.373 -18.333 -6.660 1.00 0.00 O ATOM 965 CB SER A 63 2.045 -18.784 -8.621 1.00 0.00 C ATOM 966 OG SER A 63 2.185 -18.810 -10.039 1.00 0.00 O ATOM 0 H SER A 63 3.193 -16.626 -7.762 1.00 0.00 H new ATOM 0 HA SER A 63 0.548 -17.280 -8.853 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.030 -18.846 -8.158 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.484 -19.660 -8.296 1.00 0.00 H new ATOM 0 HG SER A 63 2.644 -19.633 -10.307 1.00 0.00 H new ATOM 972 N ASP A 64 1.412 -17.293 -5.740 1.00 0.00 N ATOM 973 CA ASP A 64 0.938 -17.446 -4.375 1.00 0.00 C ATOM 974 C ASP A 64 -0.078 -16.345 -4.066 1.00 0.00 C ATOM 975 O ASP A 64 -1.114 -16.605 -3.455 1.00 0.00 O ATOM 976 CB ASP A 64 2.089 -17.321 -3.375 1.00 0.00 C ATOM 977 CG ASP A 64 1.993 -18.246 -2.159 1.00 0.00 C ATOM 978 OD1 ASP A 64 0.846 -18.579 -1.789 1.00 0.00 O ATOM 979 OD2 ASP A 64 3.068 -18.599 -1.629 1.00 0.00 O ATOM 0 H ASP A 64 2.308 -16.813 -5.829 1.00 0.00 H new ATOM 0 HA ASP A 64 0.487 -18.434 -4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.025 -17.525 -3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.136 -16.290 -3.025 1.00 0.00 H new ATOM 984 N PHE A 65 0.253 -15.139 -4.502 1.00 0.00 N ATOM 985 CA PHE A 65 -0.618 -13.997 -4.280 1.00 0.00 C ATOM 986 C PHE A 65 -2.025 -14.268 -4.817 1.00 0.00 C ATOM 987 O PHE A 65 -2.979 -13.591 -4.438 1.00 0.00 O ATOM 988 CB PHE A 65 -0.012 -12.817 -5.043 1.00 0.00 C ATOM 989 CG PHE A 65 1.270 -12.264 -4.417 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.371 -12.145 -3.066 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.308 -11.891 -5.212 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.560 -11.631 -2.486 1.00 0.00 C ATOM 993 CE2 PHE A 65 3.498 -11.378 -4.632 1.00 0.00 C ATOM 994 CZ PHE A 65 3.599 -11.259 -3.281 1.00 0.00 C ATOM 0 H PHE A 65 1.113 -14.927 -5.008 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.699 -13.793 -3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.200 -13.129 -6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.750 -12.017 -5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.547 -12.442 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.227 -11.985 -6.285 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.640 -11.535 -1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.323 -11.082 -5.263 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.504 -10.869 -2.839 1.00 0.00 H new ATOM 1004 N LEU A 66 -2.109 -15.260 -5.691 1.00 0.00 N ATOM 1005 CA LEU A 66 -3.383 -15.629 -6.284 1.00 0.00 C ATOM 1006 C LEU A 66 -4.185 -16.462 -5.282 1.00 0.00 C ATOM 1007 O LEU A 66 -5.386 -16.663 -5.456 1.00 0.00 O ATOM 1008 CB LEU A 66 -3.167 -16.325 -7.629 1.00 0.00 C ATOM 1009 CG LEU A 66 -2.194 -15.639 -8.591 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.862 -16.548 -9.775 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.737 -14.282 -9.044 1.00 0.00 C ATOM 0 H LEU A 66 -1.315 -15.820 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.973 -14.739 -6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.807 -17.336 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.132 -16.419 -8.126 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.262 -15.451 -8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.169 -16.037 -10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.403 -17.467 -9.411 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.777 -16.789 -10.316 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.027 -13.815 -9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.690 -14.423 -9.553 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.881 -13.639 -8.175 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.488 -16.926 -4.255 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.120 -17.733 -3.225 1.00 0.00 C ATOM 1025 C ALA A 67 -4.967 -16.831 -2.325 1.00 0.00 C ATOM 1026 O ALA A 67 -5.950 -17.282 -1.738 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.047 -18.494 -2.443 1.00 0.00 C ATOM 0 H ALA A 67 -2.492 -16.758 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.785 -18.473 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.521 -19.099 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.492 -19.141 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.363 -17.784 -1.979 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.556 -15.574 -2.245 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.265 -14.606 -1.426 1.00 0.00 C ATOM 1035 C PHE A 68 -6.115 -13.674 -2.292 1.00 0.00 C ATOM 1036 O PHE A 68 -5.597 -12.735 -2.894 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.207 -13.778 -0.694 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.176 -14.616 0.064 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -2.153 -15.209 -0.609 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -3.282 -14.769 1.411 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -1.196 -15.987 0.096 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -2.326 -15.547 2.116 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.303 -16.139 1.443 1.00 0.00 C ATOM 0 H PHE A 68 -3.741 -15.204 -2.734 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.929 -15.121 -0.732 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.688 -13.149 -1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.705 -13.110 0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.069 -15.088 -1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.094 -14.298 1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.384 -16.458 -0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.411 -15.669 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.575 -16.730 1.979 1.00 0.00 H new ATOM 1053 N THR A 69 -7.407 -13.966 -2.327 1.00 0.00 N ATOM 1054 CA THR A 69 -8.335 -13.166 -3.109 1.00 0.00 C ATOM 1055 C THR A 69 -9.461 -12.635 -2.220 1.00 0.00 C ATOM 1056 O THR A 69 -10.633 -12.927 -2.456 1.00 0.00 O ATOM 1057 CB THR A 69 -8.832 -14.023 -4.274 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.535 -15.091 -3.644 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.691 -14.718 -5.020 1.00 0.00 C ATOM 0 H THR A 69 -7.833 -14.746 -1.826 1.00 0.00 H new ATOM 0 HA THR A 69 -7.847 -12.283 -3.522 1.00 0.00 H new ATOM 0 HB THR A 69 -9.393 -13.399 -4.970 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.279 -14.728 -3.120 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.100 -15.313 -5.837 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.010 -13.968 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.150 -15.368 -4.333 1.00 0.00 H new ATOM 1067 N ASP A 70 -9.067 -11.863 -1.218 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.030 -11.289 -0.293 1.00 0.00 C ATOM 1069 C ASP A 70 -10.138 -9.784 -0.547 1.00 0.00 C ATOM 1070 O ASP A 70 -11.185 -9.184 -0.305 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.589 -11.493 1.158 1.00 0.00 C ATOM 1072 CG ASP A 70 -9.058 -12.891 1.482 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -8.091 -13.301 0.805 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -9.632 -13.517 2.399 1.00 0.00 O ATOM 0 H ASP A 70 -8.095 -11.622 -1.026 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.988 -11.785 -0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.814 -10.763 1.392 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.435 -11.281 1.812 1.00 0.00 H new ATOM 1079 N MET A 71 -9.043 -9.217 -1.032 1.00 0.00 N ATOM 1080 CA MET A 71 -9.003 -7.794 -1.321 1.00 0.00 C ATOM 1081 C MET A 71 -8.474 -7.536 -2.734 1.00 0.00 C ATOM 1082 O MET A 71 -7.803 -6.534 -2.976 1.00 0.00 O ATOM 1083 CB MET A 71 -8.102 -7.091 -0.303 1.00 0.00 C ATOM 1084 CG MET A 71 -8.789 -6.993 1.061 1.00 0.00 C ATOM 1085 SD MET A 71 -9.746 -5.489 1.156 1.00 0.00 S ATOM 1086 CE MET A 71 -8.439 -4.281 1.018 1.00 0.00 C ATOM 0 H MET A 71 -8.177 -9.717 -1.232 1.00 0.00 H new ATOM 0 HA MET A 71 -10.017 -7.401 -1.255 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.164 -7.637 -0.203 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.853 -6.092 -0.661 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.437 -7.856 1.214 1.00 0.00 H new ATOM 0 HG3 MET A 71 -8.043 -7.010 1.855 1.00 0.00 H new ATOM 0 HE1 MET A 71 -8.803 -3.311 1.355 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.595 -4.586 1.636 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.120 -4.207 -0.022 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.797 -8.458 -3.629 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.363 -8.343 -5.011 1.00 0.00 C ATOM 1098 C ALA A 72 -9.355 -7.470 -5.782 1.00 0.00 C ATOM 1099 O ALA A 72 -8.953 -6.592 -6.543 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.220 -9.740 -5.619 1.00 0.00 C ATOM 0 H ALA A 72 -9.354 -9.288 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.387 -7.861 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.894 -9.654 -6.656 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.483 -10.309 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.181 -10.253 -5.582 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.632 -7.743 -5.558 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.684 -6.993 -6.222 1.00 0.00 C ATOM 1108 C ASP A 73 -11.515 -5.503 -5.915 1.00 0.00 C ATOM 1109 O ASP A 73 -11.549 -5.097 -4.755 1.00 0.00 O ATOM 1110 CB ASP A 73 -13.066 -7.424 -5.724 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.242 -6.671 -6.349 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -14.021 -6.057 -7.415 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.336 -6.726 -5.746 1.00 0.00 O ATOM 0 H ASP A 73 -10.962 -8.473 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.610 -7.184 -7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.190 -8.489 -5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.103 -7.293 -4.643 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.331 -4.710 -7.004 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.156 -3.274 -6.863 1.00 0.00 C ATOM 1120 C PRO A 74 -12.486 -2.588 -6.545 1.00 0.00 C ATOM 1121 O PRO A 74 -12.506 -1.462 -6.050 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.554 -2.819 -8.182 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.844 -3.931 -9.178 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.285 -5.156 -8.393 1.00 0.00 C ATOM 0 HA PRO A 74 -10.504 -3.010 -6.031 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.995 -1.877 -8.509 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.481 -2.652 -8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.623 -3.624 -9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.956 -4.155 -9.769 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.260 -5.511 -8.727 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.585 -5.981 -8.521 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.566 -3.296 -6.841 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.898 -2.770 -6.593 1.00 0.00 C ATOM 1134 C ASN A 75 -15.338 -3.156 -5.180 1.00 0.00 C ATOM 1135 O ASN A 75 -16.382 -2.708 -4.707 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.912 -3.351 -7.580 1.00 0.00 C ATOM 1137 CG ASN A 75 -16.167 -2.383 -8.737 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -16.859 -1.386 -8.606 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.572 -2.731 -9.875 1.00 0.00 N ATOM 0 H ASN A 75 -13.546 -4.230 -7.250 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.861 -1.687 -6.711 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.543 -4.300 -7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.849 -3.561 -7.063 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.682 -2.150 -10.706 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -15.006 -3.579 -9.916 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.521 -3.983 -4.544 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.814 -4.434 -3.195 1.00 0.00 C ATOM 1148 C LEU A 76 -14.497 -3.310 -2.206 1.00 0.00 C ATOM 1149 O LEU A 76 -13.508 -2.597 -2.368 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.079 -5.742 -2.896 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.037 -6.167 -1.426 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -14.752 -7.504 -1.222 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.598 -6.201 -0.906 1.00 0.00 C ATOM 0 H LEU A 76 -13.656 -4.352 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.875 -4.661 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.549 -6.540 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.054 -5.651 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.574 -5.422 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.708 -7.783 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.794 -7.410 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.265 -8.272 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.596 -6.506 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.016 -6.912 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.155 -5.209 -0.996 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.355 -3.188 -1.204 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.179 -2.163 -0.189 1.00 0.00 C ATOM 1167 C ARG A 77 -14.523 -2.758 1.058 1.00 0.00 C ATOM 1168 O ARG A 77 -14.673 -3.947 1.336 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.519 -1.536 0.199 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.160 -0.827 -0.997 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.686 -0.899 -0.924 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.283 0.181 -1.740 1.00 0.00 N ATOM 1173 CZ ARG A 77 -20.591 0.471 -1.762 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -21.447 -0.237 -1.012 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -21.044 1.469 -2.533 1.00 0.00 N ATOM 0 H ARG A 77 -16.174 -3.782 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.536 -1.389 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.192 -2.309 0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.370 -0.824 1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.842 0.215 -1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.815 -1.285 -1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.030 -1.869 -1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.014 -0.807 0.112 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.660 0.740 -2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.103 -0.996 -0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.443 -0.016 -1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.393 2.008 -3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.040 1.689 -2.549 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.809 -1.905 1.777 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.129 -2.331 2.988 1.00 0.00 C ATOM 1191 C ILE A 78 -14.167 -2.763 4.026 1.00 0.00 C ATOM 1192 O ILE A 78 -13.829 -3.409 5.017 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.182 -1.237 3.485 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -12.961 0.005 3.924 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.124 -0.907 2.430 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.159 0.825 4.936 1.00 0.00 C ATOM 0 H ILE A 78 -13.687 -0.920 1.544 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.499 -3.198 2.786 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.656 -1.613 4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.193 0.620 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.912 -0.295 4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.464 -0.127 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.540 -1.800 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.613 -0.559 1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.735 1.702 5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.950 0.215 5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.220 1.143 4.484 1.00 0.00 H new ATOM 1208 N SER A 79 -15.411 -2.390 3.762 1.00 0.00 N ATOM 1209 CA SER A 79 -16.501 -2.731 4.661 1.00 0.00 C ATOM 1210 C SER A 79 -16.670 -4.250 4.726 1.00 0.00 C ATOM 1211 O SER A 79 -17.216 -4.776 5.694 1.00 0.00 O ATOM 1212 CB SER A 79 -17.807 -2.070 4.217 1.00 0.00 C ATOM 1213 OG SER A 79 -18.284 -2.604 2.985 1.00 0.00 O ATOM 0 H SER A 79 -15.688 -1.855 2.939 1.00 0.00 H new ATOM 0 HA SER A 79 -16.255 -2.357 5.655 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.564 -2.208 4.989 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.652 -0.996 4.111 1.00 0.00 H new ATOM 0 HG SER A 79 -19.120 -2.157 2.737 1.00 0.00 H new ATOM 1219 N SER A 80 -16.191 -4.912 3.683 1.00 0.00 N ATOM 1220 CA SER A 80 -16.282 -6.360 3.610 1.00 0.00 C ATOM 1221 C SER A 80 -15.510 -6.992 4.770 1.00 0.00 C ATOM 1222 O SER A 80 -15.907 -8.034 5.289 1.00 0.00 O ATOM 1223 CB SER A 80 -15.749 -6.879 2.273 1.00 0.00 C ATOM 1224 OG SER A 80 -15.569 -8.292 2.281 1.00 0.00 O ATOM 0 H SER A 80 -15.739 -4.472 2.882 1.00 0.00 H new ATOM 0 HA SER A 80 -17.333 -6.641 3.685 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.442 -6.607 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.799 -6.394 2.049 1.00 0.00 H new ATOM 0 HG SER A 80 -14.672 -8.509 1.951 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.421 -6.335 5.142 1.00 0.00 N ATOM 1231 CA LEU A 81 -13.590 -6.820 6.231 1.00 0.00 C ATOM 1232 C LEU A 81 -13.835 -5.962 7.474 1.00 0.00 C ATOM 1233 O LEU A 81 -13.411 -6.319 8.572 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.123 -6.876 5.802 1.00 0.00 C ATOM 1235 CG LEU A 81 -11.867 -6.918 4.294 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.401 -6.616 3.978 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.318 -8.254 3.698 1.00 0.00 C ATOM 0 H LEU A 81 -14.095 -5.471 4.709 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.861 -7.843 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.611 -6.006 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.666 -7.757 6.253 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.465 -6.137 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.246 -6.652 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.146 -5.623 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.764 -7.357 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.125 -8.258 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.766 -9.067 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.385 -8.390 3.875 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.518 -4.848 7.260 1.00 0.00 N ATOM 1250 CA ASN A 82 -14.824 -3.936 8.349 1.00 0.00 C ATOM 1251 C ASN A 82 -13.520 -3.398 8.940 1.00 0.00 C ATOM 1252 O ASN A 82 -13.156 -3.739 10.064 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.590 -4.650 9.466 1.00 0.00 C ATOM 1254 CG ASN A 82 -17.099 -4.457 9.306 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.732 -5.011 8.422 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -17.638 -3.642 10.208 1.00 0.00 N ATOM 0 H ASN A 82 -14.869 -4.556 6.348 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.437 -3.128 7.950 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.352 -5.714 9.452 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.271 -4.265 10.434 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.639 -3.448 10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.050 -3.211 10.922 1.00 0.00 H new ATOM 1263 N LEU A 83 -12.851 -2.565 8.155 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.595 -1.976 8.586 1.00 0.00 C ATOM 1265 C LEU A 83 -11.843 -0.540 9.051 1.00 0.00 C ATOM 1266 O LEU A 83 -12.353 0.283 8.292 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.542 -2.092 7.482 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.221 -3.511 7.007 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -9.340 -3.485 5.757 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -9.595 -4.337 8.133 1.00 0.00 C ATOM 0 H LEU A 83 -13.156 -2.284 7.223 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.191 -2.522 9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.879 -1.510 6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.620 -1.632 7.837 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.156 -3.999 6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.127 -4.506 5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.859 -2.958 4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.405 -2.972 5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.376 -5.341 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.671 -3.861 8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.291 -4.398 8.970 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.471 -0.282 10.296 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.647 1.040 10.871 1.00 0.00 C ATOM 1284 C ALA A 84 -10.328 1.500 11.496 1.00 0.00 C ATOM 1285 O ALA A 84 -9.369 0.732 11.564 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.792 1.008 11.886 1.00 0.00 C ATOM 0 H ALA A 84 -11.048 -0.967 10.923 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.916 1.761 10.099 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.924 2.000 12.317 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.712 0.704 11.387 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.557 0.297 12.678 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.322 2.749 11.936 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.136 3.320 12.553 1.00 0.00 C ATOM 1294 C HIS A 85 -8.624 2.381 13.647 1.00 0.00 C ATOM 1295 O HIS A 85 -9.267 2.222 14.684 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.418 4.733 13.068 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.187 5.599 13.189 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.089 6.848 12.602 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.006 5.383 13.837 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -6.898 7.353 12.889 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.228 6.443 13.654 1.00 0.00 N ATOM 0 H HIS A 85 -11.119 3.382 11.878 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.346 3.419 11.808 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.127 5.218 12.397 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -9.899 4.664 14.044 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.748 4.500 14.403 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.523 8.315 12.573 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.285 6.558 14.024 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.473 1.783 13.378 1.00 0.00 N ATOM 1310 CA GLY A 86 -6.868 0.864 14.327 1.00 0.00 C ATOM 1311 C GLY A 86 -6.807 -0.554 13.755 1.00 0.00 C ATOM 1312 O GLY A 86 -5.947 -1.345 14.138 1.00 0.00 O ATOM 0 H GLY A 86 -6.943 1.917 12.517 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.862 1.203 14.576 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.442 0.862 15.253 1.00 0.00 H new ATOM 1316 N SER A 87 -7.731 -0.831 12.847 1.00 0.00 N ATOM 1317 CA SER A 87 -7.793 -2.140 12.218 1.00 0.00 C ATOM 1318 C SER A 87 -6.402 -2.554 11.733 1.00 0.00 C ATOM 1319 O SER A 87 -5.474 -1.746 11.734 1.00 0.00 O ATOM 1320 CB SER A 87 -8.784 -2.144 11.052 1.00 0.00 C ATOM 1321 OG SER A 87 -10.133 -2.037 11.498 1.00 0.00 O ATOM 0 H SER A 87 -8.443 -0.172 12.532 1.00 0.00 H new ATOM 0 HA SER A 87 -8.142 -2.859 12.959 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.557 -1.316 10.381 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.664 -3.062 10.477 1.00 0.00 H new ATOM 0 HG SER A 87 -10.549 -2.924 11.497 1.00 0.00 H new ATOM 1327 N MET A 88 -6.301 -3.812 11.332 1.00 0.00 N ATOM 1328 CA MET A 88 -5.039 -4.344 10.846 1.00 0.00 C ATOM 1329 C MET A 88 -5.178 -4.867 9.415 1.00 0.00 C ATOM 1330 O MET A 88 -6.219 -5.410 9.047 1.00 0.00 O ATOM 1331 CB MET A 88 -4.576 -5.479 11.761 1.00 0.00 C ATOM 1332 CG MET A 88 -3.233 -6.046 11.296 1.00 0.00 C ATOM 1333 SD MET A 88 -1.895 -5.064 11.952 1.00 0.00 S ATOM 1334 CE MET A 88 -0.636 -5.401 10.733 1.00 0.00 C ATOM 0 H MET A 88 -7.073 -4.479 11.334 1.00 0.00 H new ATOM 0 HA MET A 88 -4.303 -3.540 10.849 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.485 -5.112 12.784 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.325 -6.271 11.771 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.132 -7.080 11.626 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.190 -6.053 10.207 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.336 -5.468 11.222 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.857 -6.344 10.233 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.617 -4.597 9.998 1.00 0.00 H new ATOM 1344 N VAL A 89 -4.115 -4.684 8.646 1.00 0.00 N ATOM 1345 CA VAL A 89 -4.106 -5.131 7.263 1.00 0.00 C ATOM 1346 C VAL A 89 -2.664 -5.394 6.826 1.00 0.00 C ATOM 1347 O VAL A 89 -1.727 -4.844 7.402 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.822 -4.108 6.378 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -4.790 -4.536 4.910 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -6.259 -3.882 6.852 1.00 0.00 C ATOM 0 H VAL A 89 -3.254 -4.232 8.954 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.653 -6.069 7.161 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.289 -3.161 6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.305 -3.792 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.755 -4.621 4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.287 -5.500 4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.745 -3.151 6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.808 -4.823 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.250 -3.511 7.877 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.531 -6.236 5.811 1.00 0.00 N ATOM 1361 CA TYR A 90 -1.218 -6.579 5.291 1.00 0.00 C ATOM 1362 C TYR A 90 -1.083 -6.158 3.826 1.00 0.00 C ATOM 1363 O TYR A 90 -2.083 -5.955 3.139 1.00 0.00 O ATOM 1364 CB TYR A 90 -1.113 -8.102 5.383 1.00 0.00 C ATOM 1365 CG TYR A 90 -1.007 -8.633 6.814 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.226 -8.718 7.429 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.143 -9.026 7.491 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.326 -9.218 8.776 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -2.043 -9.525 8.838 1.00 0.00 C ATOM 1370 CZ TYR A 90 -0.813 -9.597 9.414 1.00 0.00 C ATOM 1371 OH TYR A 90 -0.719 -10.068 10.686 1.00 0.00 O ATOM 0 H TYR A 90 -3.310 -6.690 5.335 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.436 -6.071 5.856 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.987 -8.546 4.906 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.240 -8.431 4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.116 -8.410 6.900 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.108 -8.959 7.010 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.285 -9.290 9.268 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.925 -9.835 9.379 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.612 -10.299 11.016 1.00 0.00 H new ATOM 1381 N LEU A 91 0.163 -6.040 3.390 1.00 0.00 N ATOM 1382 CA LEU A 91 0.442 -5.647 2.020 1.00 0.00 C ATOM 1383 C LEU A 91 1.699 -6.371 1.532 1.00 0.00 C ATOM 1384 O LEU A 91 2.769 -6.229 2.121 1.00 0.00 O ATOM 1385 CB LEU A 91 0.528 -4.123 1.906 1.00 0.00 C ATOM 1386 CG LEU A 91 1.096 -3.580 0.593 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.106 -3.778 -0.557 1.00 0.00 C ATOM 1388 CD2 LEU A 91 1.516 -2.116 0.742 1.00 0.00 C ATOM 0 H LEU A 91 0.990 -6.210 3.962 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.375 -5.947 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.472 -3.711 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.142 -3.751 2.726 1.00 0.00 H new ATOM 0 HG LEU A 91 1.992 -4.149 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.535 -3.383 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.101 -4.841 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.821 -3.251 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.916 -1.754 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.651 -1.516 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.281 -2.034 1.514 1.00 0.00 H new ATOM 1400 N ALA A 92 1.526 -7.132 0.461 1.00 0.00 N ATOM 1401 CA ALA A 92 2.633 -7.879 -0.112 1.00 0.00 C ATOM 1402 C ALA A 92 2.811 -7.475 -1.576 1.00 0.00 C ATOM 1403 O ALA A 92 1.898 -7.637 -2.385 1.00 0.00 O ATOM 1404 CB ALA A 92 2.376 -9.379 0.052 1.00 0.00 C ATOM 0 H ALA A 92 0.636 -7.247 -0.025 1.00 0.00 H new ATOM 0 HA ALA A 92 3.562 -7.649 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.206 -9.940 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.286 -9.619 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.453 -9.648 -0.461 1.00 0.00 H new ATOM 1410 N TYR A 93 3.993 -6.955 -1.874 1.00 0.00 N ATOM 1411 CA TYR A 93 4.303 -6.526 -3.227 1.00 0.00 C ATOM 1412 C TYR A 93 5.690 -7.013 -3.653 1.00 0.00 C ATOM 1413 O TYR A 93 6.405 -7.629 -2.864 1.00 0.00 O ATOM 1414 CB TYR A 93 4.300 -4.997 -3.196 1.00 0.00 C ATOM 1415 CG TYR A 93 5.094 -4.396 -2.034 1.00 0.00 C ATOM 1416 CD1 TYR A 93 6.465 -4.545 -1.986 1.00 0.00 C ATOM 1417 CD2 TYR A 93 4.440 -3.706 -1.034 1.00 0.00 C ATOM 1418 CE1 TYR A 93 7.213 -3.980 -0.893 1.00 0.00 C ATOM 1419 CE2 TYR A 93 5.188 -3.141 0.059 1.00 0.00 C ATOM 1420 CZ TYR A 93 6.537 -3.306 0.076 1.00 0.00 C ATOM 1421 OH TYR A 93 7.244 -2.773 1.108 1.00 0.00 O ATOM 0 H TYR A 93 4.748 -6.821 -1.201 1.00 0.00 H new ATOM 0 HA TYR A 93 3.578 -6.931 -3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.711 -4.624 -4.134 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.269 -4.647 -3.138 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.977 -5.085 -2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.367 -3.590 -1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.286 -4.089 -0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.688 -2.598 0.848 1.00 0.00 H new ATOM 0 HH TYR A 93 6.632 -2.319 1.724 1.00 0.00 H new ATOM 1431 N GLU A 94 6.028 -6.718 -4.899 1.00 0.00 N ATOM 1432 CA GLU A 94 7.317 -7.118 -5.440 1.00 0.00 C ATOM 1433 C GLU A 94 8.083 -5.894 -5.946 1.00 0.00 C ATOM 1434 O GLU A 94 7.485 -4.858 -6.233 1.00 0.00 O ATOM 1435 CB GLU A 94 7.147 -8.156 -6.550 1.00 0.00 C ATOM 1436 CG GLU A 94 6.935 -7.479 -7.906 1.00 0.00 C ATOM 1437 CD GLU A 94 6.322 -8.453 -8.915 1.00 0.00 C ATOM 1438 OE1 GLU A 94 5.077 -8.562 -8.913 1.00 0.00 O ATOM 1439 OE2 GLU A 94 7.113 -9.066 -9.664 1.00 0.00 O ATOM 0 H GLU A 94 5.432 -6.207 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 94 7.897 -7.580 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.029 -8.796 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.297 -8.800 -6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.282 -6.614 -7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.888 -7.109 -8.285 1.00 0.00 H new ATOM 1446 N GLY A 95 9.395 -6.053 -6.038 1.00 0.00 N ATOM 1447 CA GLY A 95 10.249 -4.974 -6.505 1.00 0.00 C ATOM 1448 C GLY A 95 10.204 -3.785 -5.543 1.00 0.00 C ATOM 1449 O GLY A 95 10.362 -2.639 -5.961 1.00 0.00 O ATOM 0 H GLY A 95 9.888 -6.913 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.274 -5.332 -6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.930 -4.656 -7.497 1.00 0.00 H new ATOM 1453 N GLU A 96 9.987 -4.098 -4.274 1.00 0.00 N ATOM 1454 CA GLU A 96 9.919 -3.070 -3.251 1.00 0.00 C ATOM 1455 C GLU A 96 9.165 -1.847 -3.776 1.00 0.00 C ATOM 1456 O GLU A 96 8.422 -1.943 -4.752 1.00 0.00 O ATOM 1457 CB GLU A 96 11.318 -2.684 -2.766 1.00 0.00 C ATOM 1458 CG GLU A 96 12.091 -1.943 -3.859 1.00 0.00 C ATOM 1459 CD GLU A 96 13.086 -0.952 -3.250 1.00 0.00 C ATOM 1460 OE1 GLU A 96 12.636 -0.134 -2.419 1.00 0.00 O ATOM 1461 OE2 GLU A 96 14.274 -1.036 -3.629 1.00 0.00 O ATOM 0 H GLU A 96 9.856 -5.050 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 96 9.372 -3.471 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.239 -2.054 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.865 -3.580 -2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.623 -2.661 -4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.393 -1.412 -4.507 1.00 0.00 H new ATOM 1468 N ARG A 97 9.381 -0.724 -3.106 1.00 0.00 N ATOM 1469 CA ARG A 97 8.731 0.516 -3.493 1.00 0.00 C ATOM 1470 C ARG A 97 9.497 1.181 -4.639 1.00 0.00 C ATOM 1471 O ARG A 97 10.636 0.816 -4.923 1.00 0.00 O ATOM 1472 CB ARG A 97 8.648 1.486 -2.313 1.00 0.00 C ATOM 1473 CG ARG A 97 8.215 0.762 -1.037 1.00 0.00 C ATOM 1474 CD ARG A 97 7.754 1.758 0.029 1.00 0.00 C ATOM 1475 NE ARG A 97 8.444 1.482 1.310 1.00 0.00 N ATOM 1476 CZ ARG A 97 9.649 1.969 1.634 1.00 0.00 C ATOM 1477 NH1 ARG A 97 10.307 2.758 0.773 1.00 0.00 N ATOM 1478 NH2 ARG A 97 10.198 1.666 2.818 1.00 0.00 N ATOM 0 H ARG A 97 9.998 -0.648 -2.297 1.00 0.00 H new ATOM 0 HA ARG A 97 7.720 0.273 -3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.618 1.957 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.940 2.282 -2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.406 0.068 -1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.045 0.169 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.967 2.776 -0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.675 1.685 0.164 1.00 0.00 H new ATOM 0 HE ARG A 97 7.972 0.884 1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.890 2.988 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.225 3.129 1.020 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.698 1.064 3.473 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.116 2.037 3.065 1.00 0.00 H new ATOM 1492 N THR A 98 8.840 2.146 -5.265 1.00 0.00 N ATOM 1493 CA THR A 98 9.444 2.866 -6.373 1.00 0.00 C ATOM 1494 C THR A 98 10.338 3.993 -5.853 1.00 0.00 C ATOM 1495 O THR A 98 10.654 4.042 -4.665 1.00 0.00 O ATOM 1496 CB THR A 98 8.320 3.355 -7.289 1.00 0.00 C ATOM 1497 OG1 THR A 98 7.368 3.926 -6.395 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.564 2.204 -7.954 1.00 0.00 C ATOM 0 H THR A 98 7.895 2.446 -5.026 1.00 0.00 H new ATOM 0 HA THR A 98 10.098 2.218 -6.956 1.00 0.00 H new ATOM 0 HB THR A 98 8.735 4.007 -8.057 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.753 3.230 -6.084 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.778 2.606 -8.593 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.255 1.615 -8.557 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.119 1.570 -7.187 1.00 0.00 H new