USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 810 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 79 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 82 THR OG1 : rot 116:sc= 0.91 USER MOD Set 2.1: A 37 CYS SG : rot 140:sc= 0.918 USER MOD Set 2.2: A 40 CYS SG : rot 79:sc= -0.762 USER MOD Set 3.1: A 27 ASN :FLIP amide:sc= -1.06! C(o=-3!,f=-2.1!) USER MOD Set 3.2: A 59 ASN :FLIP amide:sc= -1.06! X(o=-2.6,f=-2.1!) USER MOD Single : A 10 LYS NZ :NH3+ 149:sc= -2.28! (180deg=-2.54!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.79 F(o=-2.1,f=-0.79) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= -0.0017 (180deg=-0.128) USER MOD Single : A 26 LYS NZ :NH3+ -112:sc= -0.963 (180deg=-3.81!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0145 X(o=-0.014,f=-0.014) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= -0.035 (180deg=-0.243) USER MOD Single : A 42 GLN : amide:sc= -0.059 K(o=-0.059,f=-1.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 73:sc= 0.0814 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.342 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -4.02 K(o=-4,f=-8.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -153:sc= -0.105 (180deg=-1.01) USER MOD Single : A 67 SER OG : rot -38:sc=-0.00215 USER MOD Single : A 68 THR OG1 : rot -55:sc= -1.14 USER MOD Single : A 70 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.35) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0364 X(o=-0.036,f=-0.42) USER MOD Single : A 84 LYS NZ :NH3+ -157:sc= -8.84! (180deg=-9.53!) USER MOD Single : A 93 THR OG1 : rot 31:sc= 0.0901 USER MOD Single : A 97 TYR OH : rot -79:sc= 1.33 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot -142:sc= 0.47 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 95:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -4.832 -13.204 -2.494 1.00 0.00 N ATOM 67 CA PRO A 8 -3.625 -12.835 -1.748 1.00 0.00 C ATOM 68 C PRO A 8 -3.828 -11.585 -0.898 1.00 0.00 C ATOM 69 O PRO A 8 -3.504 -11.570 0.289 1.00 0.00 O ATOM 70 CB PRO A 8 -2.594 -12.571 -2.849 1.00 0.00 C ATOM 71 CG PRO A 8 -3.403 -12.196 -4.043 1.00 0.00 C ATOM 72 CD PRO A 8 -4.680 -12.984 -3.942 1.00 0.00 C ATOM 0 HA PRO A 8 -3.328 -13.612 -1.044 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.910 -11.771 -2.567 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.987 -13.455 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.605 -11.125 -4.057 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.871 -12.432 -4.965 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.525 -12.434 -4.356 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.615 -13.926 -4.487 1.00 0.00 H new ATOM 80 N VAL A 9 -4.367 -10.537 -1.514 1.00 0.00 N ATOM 81 CA VAL A 9 -4.615 -9.283 -0.813 1.00 0.00 C ATOM 82 C VAL A 9 -6.091 -8.904 -0.871 1.00 0.00 C ATOM 83 O VAL A 9 -6.720 -8.970 -1.927 1.00 0.00 O ATOM 84 CB VAL A 9 -3.778 -8.134 -1.406 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.715 -8.246 -2.921 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.348 -6.788 -0.985 1.00 0.00 C ATOM 0 H VAL A 9 -4.640 -10.532 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.323 -9.437 0.226 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.762 -8.210 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.120 -7.426 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.257 -9.196 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.723 -8.197 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.744 -5.987 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.374 -6.700 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.335 -6.711 0.102 1.00 0.00 H new ATOM 96 N LYS A 10 -6.639 -8.506 0.272 1.00 0.00 N ATOM 97 CA LYS A 10 -8.040 -8.113 0.354 1.00 0.00 C ATOM 98 C LYS A 10 -8.280 -6.795 -0.375 1.00 0.00 C ATOM 99 O LYS A 10 -7.379 -5.962 -0.485 1.00 0.00 O ATOM 100 CB LYS A 10 -8.471 -7.985 1.817 1.00 0.00 C ATOM 101 CG LYS A 10 -9.913 -8.395 2.064 1.00 0.00 C ATOM 102 CD LYS A 10 -10.550 -7.558 3.161 1.00 0.00 C ATOM 103 CE LYS A 10 -10.416 -8.225 4.521 1.00 0.00 C ATOM 104 NZ LYS A 10 -9.183 -7.789 5.233 1.00 0.00 N ATOM 0 H LYS A 10 -6.133 -8.447 1.156 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.637 -8.888 -0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.816 -8.599 2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.336 -6.952 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.486 -8.287 1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.950 -9.449 2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.080 -6.575 3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.604 -7.401 2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.289 -7.989 5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.399 -9.308 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.351 -7.803 6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.402 -8.435 5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.934 -6.824 4.936 1.00 0.00 H new ATOM 118 N VAL A 11 -9.499 -6.610 -0.870 1.00 0.00 N ATOM 119 CA VAL A 11 -9.858 -5.391 -1.586 1.00 0.00 C ATOM 120 C VAL A 11 -10.869 -4.568 -0.797 1.00 0.00 C ATOM 121 O VAL A 11 -12.031 -4.955 -0.661 1.00 0.00 O ATOM 122 CB VAL A 11 -10.442 -5.708 -2.975 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.760 -4.424 -3.726 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.480 -6.577 -3.772 1.00 0.00 C ATOM 0 H VAL A 11 -10.256 -7.289 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.941 -4.814 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.371 -6.262 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.172 -4.668 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.488 -3.843 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.848 -3.840 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.909 -6.791 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.534 -6.051 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.307 -7.512 -3.239 1.00 0.00 H new ATOM 134 N LEU A 12 -10.421 -3.430 -0.278 1.00 0.00 N ATOM 135 CA LEU A 12 -11.288 -2.549 0.498 1.00 0.00 C ATOM 136 C LEU A 12 -11.992 -1.543 -0.406 1.00 0.00 C ATOM 137 O LEU A 12 -11.443 -1.115 -1.422 1.00 0.00 O ATOM 138 CB LEU A 12 -10.475 -1.813 1.565 1.00 0.00 C ATOM 139 CG LEU A 12 -9.653 -2.692 2.507 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.669 -1.847 3.302 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.566 -3.472 3.442 1.00 0.00 C ATOM 0 H LEU A 12 -9.463 -3.095 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.046 -3.162 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.799 -1.120 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.159 -1.213 2.165 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.087 -3.405 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.092 -2.490 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.993 -1.334 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.215 -1.111 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.963 -4.092 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.159 -2.776 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.230 -4.107 2.856 1.00 0.00 H new ATOM 153 N VAL A 13 -13.210 -1.167 -0.029 1.00 0.00 N ATOM 154 CA VAL A 13 -13.988 -0.208 -0.804 1.00 0.00 C ATOM 155 C VAL A 13 -14.478 0.939 0.073 1.00 0.00 C ATOM 156 O VAL A 13 -14.481 0.839 1.299 1.00 0.00 O ATOM 157 CB VAL A 13 -15.201 -0.881 -1.474 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.750 -1.783 -2.613 1.00 0.00 C ATOM 159 CG2 VAL A 13 -16.008 -1.665 -0.451 1.00 0.00 C ATOM 0 H VAL A 13 -13.679 -1.512 0.808 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.327 0.186 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.842 -0.103 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.620 -2.250 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.219 -1.190 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.087 -2.556 -2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.861 -2.134 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.379 -2.435 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.363 -0.990 0.327 1.00 0.00 H new ATOM 169 N GLY A 14 -14.891 2.030 -0.565 1.00 0.00 N ATOM 170 CA GLY A 14 -15.378 3.181 0.173 1.00 0.00 C ATOM 171 C GLY A 14 -16.660 2.887 0.926 1.00 0.00 C ATOM 172 O GLY A 14 -17.090 3.677 1.767 1.00 0.00 O ATOM 0 H GLY A 14 -14.897 2.137 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.613 3.507 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.547 4.007 -0.518 1.00 0.00 H new ATOM 176 N LYS A 15 -17.274 1.748 0.624 1.00 0.00 N ATOM 177 CA LYS A 15 -18.515 1.351 1.277 1.00 0.00 C ATOM 178 C LYS A 15 -18.236 0.718 2.637 1.00 0.00 C ATOM 179 O LYS A 15 -18.864 1.067 3.635 1.00 0.00 O ATOM 180 CB LYS A 15 -19.289 0.369 0.395 1.00 0.00 C ATOM 181 CG LYS A 15 -20.638 -0.030 0.967 1.00 0.00 C ATOM 182 CD LYS A 15 -21.734 0.931 0.536 1.00 0.00 C ATOM 183 CE LYS A 15 -22.115 0.723 -0.922 1.00 0.00 C ATOM 184 NZ LYS A 15 -23.211 -0.275 -1.071 1.00 0.00 N ATOM 0 H LYS A 15 -16.932 1.083 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.118 2.246 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.439 0.816 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.686 -0.527 0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.889 -1.039 0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -20.580 -0.053 2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -22.612 0.790 1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -21.398 1.957 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -22.427 1.673 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.241 0.390 -1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -23.442 -0.389 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -22.904 -1.189 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -24.053 0.055 -0.558 1.00 0.00 H new ATOM 198 N ASN A 16 -17.289 -0.214 2.667 1.00 0.00 N ATOM 199 CA ASN A 16 -16.926 -0.895 3.904 1.00 0.00 C ATOM 200 C ASN A 16 -15.414 -0.888 4.106 1.00 0.00 C ATOM 201 O ASN A 16 -14.832 -1.876 4.556 1.00 0.00 O ATOM 202 CB ASN A 16 -17.443 -2.335 3.889 1.00 0.00 C ATOM 203 CG ASN A 16 -16.896 -3.133 2.722 1.00 0.00 C ATOM 204 OD1 ASN A 16 -15.710 -3.704 2.899 1.00 0.00 O flip ATOM 205 ND2 ASN A 16 -17.533 -3.236 1.673 1.00 0.00 N flip ATOM 0 H ASN A 16 -16.759 -0.515 1.849 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.388 -0.359 4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.168 -2.827 4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.532 -2.327 3.841 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -18.441 -2.780 1.581 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -17.153 -3.777 0.896 1.00 0.00 H new ATOM 212 N PHE A 17 -14.782 0.232 3.769 1.00 0.00 N ATOM 213 CA PHE A 17 -13.338 0.368 3.912 1.00 0.00 C ATOM 214 C PHE A 17 -12.926 0.281 5.379 1.00 0.00 C ATOM 215 O PHE A 17 -12.242 -0.657 5.787 1.00 0.00 O ATOM 216 CB PHE A 17 -12.867 1.696 3.317 1.00 0.00 C ATOM 217 CG PHE A 17 -11.641 2.251 3.982 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.424 1.595 3.880 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.703 3.428 4.710 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.294 2.103 4.492 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.576 3.941 5.324 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.370 3.278 5.214 1.00 0.00 C ATOM 0 H PHE A 17 -15.248 1.059 3.395 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.866 -0.452 3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.663 1.557 2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.673 2.425 3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.358 0.676 3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.644 3.951 4.799 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.352 1.582 4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.639 4.859 5.889 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.488 3.677 5.692 1.00 0.00 H new ATOM 232 N GLU A 18 -13.347 1.266 6.165 1.00 0.00 N ATOM 233 CA GLU A 18 -13.021 1.302 7.586 1.00 0.00 C ATOM 234 C GLU A 18 -13.466 0.017 8.279 1.00 0.00 C ATOM 235 O GLU A 18 -12.718 -0.571 9.061 1.00 0.00 O ATOM 236 CB GLU A 18 -13.682 2.509 8.254 1.00 0.00 C ATOM 237 CG GLU A 18 -13.113 3.843 7.800 1.00 0.00 C ATOM 238 CD GLU A 18 -14.141 4.957 7.830 1.00 0.00 C ATOM 239 OE1 GLU A 18 -14.477 5.425 8.937 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.610 5.361 6.745 1.00 0.00 O ATOM 0 H GLU A 18 -13.914 2.050 5.842 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.939 1.391 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.751 2.489 8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.568 2.424 9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.273 4.112 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.723 3.741 6.787 1.00 0.00 H new ATOM 247 N ASP A 19 -14.689 -0.413 7.986 1.00 0.00 N ATOM 248 CA ASP A 19 -15.235 -1.628 8.580 1.00 0.00 C ATOM 249 C ASP A 19 -14.249 -2.785 8.452 1.00 0.00 C ATOM 250 O ASP A 19 -14.124 -3.611 9.356 1.00 0.00 O ATOM 251 CB ASP A 19 -16.561 -1.995 7.913 1.00 0.00 C ATOM 252 CG ASP A 19 -17.502 -2.720 8.855 1.00 0.00 C ATOM 253 OD1 ASP A 19 -17.014 -3.311 9.842 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.725 -2.695 8.607 1.00 0.00 O ATOM 0 H ASP A 19 -15.321 0.062 7.341 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.410 -1.439 9.639 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.044 -1.088 7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.366 -2.624 7.044 1.00 0.00 H new ATOM 259 N VAL A 20 -13.552 -2.840 7.321 1.00 0.00 N ATOM 260 CA VAL A 20 -12.577 -3.896 7.075 1.00 0.00 C ATOM 261 C VAL A 20 -11.158 -3.406 7.339 1.00 0.00 C ATOM 262 O VAL A 20 -10.230 -4.204 7.469 1.00 0.00 O ATOM 263 CB VAL A 20 -12.668 -4.417 5.628 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.669 -5.541 5.401 1.00 0.00 C ATOM 265 CG2 VAL A 20 -14.083 -4.879 5.317 1.00 0.00 C ATOM 0 H VAL A 20 -13.645 -2.166 6.561 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.811 -4.709 7.762 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.419 -3.601 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.748 -5.896 4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.659 -5.172 5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.883 -6.362 6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.129 -5.244 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.362 -5.681 6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.773 -4.044 5.437 1.00 0.00 H new ATOM 275 N ALA A 21 -10.997 -2.089 7.416 1.00 0.00 N ATOM 276 CA ALA A 21 -9.691 -1.493 7.668 1.00 0.00 C ATOM 277 C ALA A 21 -9.462 -1.281 9.160 1.00 0.00 C ATOM 278 O ALA A 21 -8.563 -1.879 9.752 1.00 0.00 O ATOM 279 CB ALA A 21 -9.559 -0.175 6.919 1.00 0.00 C ATOM 0 H ALA A 21 -11.755 -1.415 7.307 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.929 -2.183 7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.579 0.259 7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.669 -0.352 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.335 0.513 7.254 1.00 0.00 H new ATOM 285 N PHE A 22 -10.280 -0.425 9.764 1.00 0.00 N ATOM 286 CA PHE A 22 -10.166 -0.133 11.188 1.00 0.00 C ATOM 287 C PHE A 22 -10.817 -1.232 12.023 1.00 0.00 C ATOM 288 O PHE A 22 -11.950 -1.088 12.482 1.00 0.00 O ATOM 289 CB PHE A 22 -10.812 1.216 11.507 1.00 0.00 C ATOM 290 CG PHE A 22 -10.064 2.389 10.940 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.993 2.940 11.625 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.431 2.939 9.722 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.303 4.020 11.106 1.00 0.00 C ATOM 294 CE2 PHE A 22 -9.744 4.018 9.198 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.678 4.558 9.890 1.00 0.00 C ATOM 0 H PHE A 22 -11.029 0.079 9.289 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.107 -0.089 11.440 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.830 1.223 11.119 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -10.883 1.329 12.589 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.694 2.521 12.575 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.263 2.520 9.176 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.472 4.443 11.651 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.041 4.438 8.248 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.138 5.400 9.481 1.00 0.00 H new ATOM 305 N ASP A 23 -10.092 -2.329 12.215 1.00 0.00 N ATOM 306 CA ASP A 23 -10.598 -3.452 12.994 1.00 0.00 C ATOM 307 C ASP A 23 -9.808 -3.615 14.289 1.00 0.00 C ATOM 308 O ASP A 23 -8.667 -3.166 14.391 1.00 0.00 O ATOM 309 CB ASP A 23 -10.528 -4.742 12.175 1.00 0.00 C ATOM 310 CG ASP A 23 -11.797 -4.995 11.385 1.00 0.00 C ATOM 311 OD1 ASP A 23 -12.514 -4.018 11.086 1.00 0.00 O ATOM 312 OD2 ASP A 23 -12.072 -6.171 11.066 1.00 0.00 O ATOM 0 H ASP A 23 -9.152 -2.464 11.842 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.638 -3.247 13.247 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.682 -4.689 11.490 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.345 -5.584 12.843 1.00 0.00 H new ATOM 317 N GLU A 24 -10.424 -4.258 15.276 1.00 0.00 N ATOM 318 CA GLU A 24 -9.779 -4.477 16.565 1.00 0.00 C ATOM 319 C GLU A 24 -9.018 -5.799 16.575 1.00 0.00 C ATOM 320 O GLU A 24 -9.355 -6.728 15.840 1.00 0.00 O ATOM 321 CB GLU A 24 -10.817 -4.465 17.689 1.00 0.00 C ATOM 322 CG GLU A 24 -10.253 -4.865 19.042 1.00 0.00 C ATOM 323 CD GLU A 24 -11.033 -4.269 20.198 1.00 0.00 C ATOM 324 OE1 GLU A 24 -12.161 -4.737 20.458 1.00 0.00 O ATOM 325 OE2 GLU A 24 -10.514 -3.334 20.844 1.00 0.00 O ATOM 0 H GLU A 24 -11.369 -4.636 15.207 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.068 -3.667 16.728 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.247 -3.466 17.765 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.630 -5.143 17.429 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.258 -5.952 19.127 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.213 -4.545 19.107 1.00 0.00 H new ATOM 332 N LYS A 25 -7.989 -5.877 17.411 1.00 0.00 N ATOM 333 CA LYS A 25 -7.179 -7.085 17.519 1.00 0.00 C ATOM 334 C LYS A 25 -6.806 -7.614 16.138 1.00 0.00 C ATOM 335 O LYS A 25 -6.761 -8.825 15.917 1.00 0.00 O ATOM 336 CB LYS A 25 -7.933 -8.161 18.303 1.00 0.00 C ATOM 337 CG LYS A 25 -7.987 -7.898 19.798 1.00 0.00 C ATOM 338 CD LYS A 25 -6.739 -8.407 20.500 1.00 0.00 C ATOM 339 CE LYS A 25 -6.588 -7.794 21.884 1.00 0.00 C ATOM 340 NZ LYS A 25 -6.186 -6.362 21.815 1.00 0.00 N ATOM 0 H LYS A 25 -7.695 -5.117 18.025 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.262 -6.832 18.052 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.950 -8.233 17.918 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.457 -9.126 18.129 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.095 -6.828 19.976 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.867 -8.382 20.222 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.785 -9.493 20.585 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.861 -8.172 19.899 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.530 -7.881 22.425 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.843 -8.354 22.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.849 -6.051 22.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.424 -6.249 21.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.004 -5.785 21.532 1.00 0.00 H new ATOM 354 N LYS A 26 -6.536 -6.701 15.212 1.00 0.00 N ATOM 355 CA LYS A 26 -6.164 -7.075 13.853 1.00 0.00 C ATOM 356 C LYS A 26 -5.342 -5.974 13.191 1.00 0.00 C ATOM 357 O LYS A 26 -5.817 -4.853 13.013 1.00 0.00 O ATOM 358 CB LYS A 26 -7.416 -7.362 13.020 1.00 0.00 C ATOM 359 CG LYS A 26 -7.141 -7.478 11.530 1.00 0.00 C ATOM 360 CD LYS A 26 -6.574 -8.842 11.173 1.00 0.00 C ATOM 361 CE LYS A 26 -7.646 -9.920 11.215 1.00 0.00 C ATOM 362 NZ LYS A 26 -8.716 -9.678 10.209 1.00 0.00 N ATOM 0 H LYS A 26 -6.568 -5.695 15.378 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.555 -7.977 13.905 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.871 -8.288 13.370 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.143 -6.567 13.186 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.064 -7.310 10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.440 -6.701 11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.133 -8.804 10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.773 -9.097 11.867 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.190 -10.893 11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.086 -9.956 12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.603 -9.440 10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.439 -8.890 9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.855 -10.535 9.637 1.00 0.00 H new ATOM 376 N ASN A 27 -4.106 -6.301 12.828 1.00 0.00 N ATOM 377 CA ASN A 27 -3.218 -5.340 12.185 1.00 0.00 C ATOM 378 C ASN A 27 -3.374 -5.384 10.668 1.00 0.00 C ATOM 379 O ASN A 27 -2.739 -6.192 9.991 1.00 0.00 O ATOM 380 CB ASN A 27 -1.763 -5.622 12.567 1.00 0.00 C ATOM 381 CG ASN A 27 -1.577 -5.769 14.065 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.708 -6.994 14.561 1.00 0.00 O flip ATOM 383 ND2 ASN A 27 -1.319 -4.792 14.768 1.00 0.00 N flip ATOM 0 H ASN A 27 -3.697 -7.225 12.968 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.491 -4.344 12.532 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.430 -6.534 12.071 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.131 -4.812 12.203 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.227 -3.869 14.344 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.197 -4.906 15.774 1.00 0.00 H new ATOM 390 N VAL A 28 -4.226 -4.510 10.141 1.00 0.00 N ATOM 391 CA VAL A 28 -4.465 -4.448 8.704 1.00 0.00 C ATOM 392 C VAL A 28 -3.609 -3.369 8.050 1.00 0.00 C ATOM 393 O VAL A 28 -3.563 -2.230 8.517 1.00 0.00 O ATOM 394 CB VAL A 28 -5.948 -4.169 8.394 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.181 -4.127 6.891 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.835 -5.216 9.050 1.00 0.00 C ATOM 0 H VAL A 28 -4.762 -3.836 10.687 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.192 -5.421 8.295 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.210 -3.194 8.805 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.234 -3.929 6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.573 -3.337 6.451 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.903 -5.085 6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.879 -5.004 8.821 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.574 -6.204 8.670 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.689 -5.192 10.130 1.00 0.00 H new ATOM 406 N PHE A 29 -2.933 -3.734 6.966 1.00 0.00 N ATOM 407 CA PHE A 29 -2.077 -2.797 6.248 1.00 0.00 C ATOM 408 C PHE A 29 -2.673 -2.449 4.887 1.00 0.00 C ATOM 409 O PHE A 29 -2.555 -3.215 3.930 1.00 0.00 O ATOM 410 CB PHE A 29 -0.677 -3.388 6.067 1.00 0.00 C ATOM 411 CG PHE A 29 0.301 -2.433 5.446 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.076 -1.066 5.485 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.446 -2.901 4.821 1.00 0.00 C ATOM 414 CE1 PHE A 29 0.975 -0.184 4.915 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.348 -2.024 4.249 1.00 0.00 C ATOM 416 CZ PHE A 29 2.112 -0.664 4.295 1.00 0.00 C ATOM 0 H PHE A 29 -2.961 -4.672 6.565 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.005 -1.884 6.839 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.297 -3.705 7.038 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.746 -4.281 5.445 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.813 -0.685 5.967 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.636 -3.963 4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.788 0.879 4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.237 -2.402 3.766 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.815 0.023 3.847 1.00 0.00 H new ATOM 426 N VAL A 30 -3.316 -1.288 4.809 1.00 0.00 N ATOM 427 CA VAL A 30 -3.931 -0.837 3.566 1.00 0.00 C ATOM 428 C VAL A 30 -2.904 -0.180 2.651 1.00 0.00 C ATOM 429 O VAL A 30 -1.884 0.330 3.113 1.00 0.00 O ATOM 430 CB VAL A 30 -5.074 0.160 3.836 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.843 0.449 2.556 1.00 0.00 C ATOM 432 CG2 VAL A 30 -6.002 -0.374 4.916 1.00 0.00 C ATOM 0 H VAL A 30 -3.425 -0.643 5.592 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.337 -1.721 3.075 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.641 1.095 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.646 1.155 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.168 0.877 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.266 -0.478 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.804 0.343 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.429 -1.323 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.439 -0.525 5.837 1.00 0.00 H new ATOM 442 N GLU A 31 -3.181 -0.198 1.351 1.00 0.00 N ATOM 443 CA GLU A 31 -2.280 0.397 0.371 1.00 0.00 C ATOM 444 C GLU A 31 -3.054 1.239 -0.639 1.00 0.00 C ATOM 445 O GLU A 31 -3.700 0.708 -1.543 1.00 0.00 O ATOM 446 CB GLU A 31 -1.491 -0.694 -0.357 1.00 0.00 C ATOM 447 CG GLU A 31 -0.918 -0.244 -1.690 1.00 0.00 C ATOM 448 CD GLU A 31 -0.302 -1.386 -2.475 1.00 0.00 C ATOM 449 OE1 GLU A 31 0.899 -1.663 -2.277 1.00 0.00 O ATOM 450 OE2 GLU A 31 -1.022 -2.003 -3.288 1.00 0.00 O ATOM 0 H GLU A 31 -4.021 -0.618 0.952 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.584 1.046 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.676 -1.030 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.142 -1.553 -0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.708 0.216 -2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.162 0.522 -1.516 1.00 0.00 H new ATOM 457 N PHE A 32 -2.984 2.556 -0.479 1.00 0.00 N ATOM 458 CA PHE A 32 -3.678 3.474 -1.375 1.00 0.00 C ATOM 459 C PHE A 32 -2.902 3.655 -2.676 1.00 0.00 C ATOM 460 O PHE A 32 -1.957 4.441 -2.743 1.00 0.00 O ATOM 461 CB PHE A 32 -3.880 4.829 -0.695 1.00 0.00 C ATOM 462 CG PHE A 32 -4.736 4.760 0.538 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.118 4.752 0.439 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.157 4.704 1.796 1.00 0.00 C ATOM 465 CE1 PHE A 32 -6.908 4.688 1.571 1.00 0.00 C ATOM 466 CE2 PHE A 32 -4.942 4.639 2.932 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.319 4.632 2.819 1.00 0.00 C ATOM 0 H PHE A 32 -2.453 3.012 0.263 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.652 3.045 -1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.907 5.242 -0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.335 5.519 -1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.583 4.796 -0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.081 4.711 1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.984 4.682 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.479 4.594 3.907 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.934 4.583 3.705 1.00 0.00 H new ATOM 477 N TYR A 33 -3.308 2.922 -3.707 1.00 0.00 N ATOM 478 CA TYR A 33 -2.649 2.999 -5.005 1.00 0.00 C ATOM 479 C TYR A 33 -3.529 3.724 -6.020 1.00 0.00 C ATOM 480 O TYR A 33 -4.660 4.103 -5.719 1.00 0.00 O ATOM 481 CB TYR A 33 -2.314 1.597 -5.515 1.00 0.00 C ATOM 482 CG TYR A 33 -3.532 0.780 -5.886 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.201 0.998 -7.084 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.012 -0.211 -5.038 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.314 0.255 -7.426 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.124 -0.960 -5.373 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.771 -0.723 -6.568 1.00 0.00 C ATOM 488 OH TYR A 33 -6.879 -1.466 -6.906 1.00 0.00 O ATOM 0 H TYR A 33 -4.090 2.268 -3.669 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.725 3.564 -4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.665 1.682 -6.386 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.750 1.066 -4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.845 1.762 -7.760 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.508 -0.399 -4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.824 0.439 -8.360 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.484 -1.727 -4.703 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.069 -2.113 -6.195 1.00 0.00 H new ATOM 498 N ALA A 34 -2.999 3.913 -7.224 1.00 0.00 N ATOM 499 CA ALA A 34 -3.735 4.590 -8.285 1.00 0.00 C ATOM 500 C ALA A 34 -3.732 3.765 -9.567 1.00 0.00 C ATOM 501 O ALA A 34 -2.717 3.192 -9.963 1.00 0.00 O ATOM 502 CB ALA A 34 -3.144 5.969 -8.541 1.00 0.00 C ATOM 0 H ALA A 34 -2.063 3.607 -7.489 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.769 4.705 -7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.703 6.463 -9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.204 6.565 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.101 5.868 -8.841 1.00 0.00 H new ATOM 508 N PRO A 35 -4.895 3.701 -10.233 1.00 0.00 N ATOM 509 CA PRO A 35 -5.052 2.948 -11.481 1.00 0.00 C ATOM 510 C PRO A 35 -4.308 3.594 -12.645 1.00 0.00 C ATOM 511 O PRO A 35 -4.256 3.040 -13.743 1.00 0.00 O ATOM 512 CB PRO A 35 -6.563 2.981 -11.727 1.00 0.00 C ATOM 513 CG PRO A 35 -7.035 4.205 -11.022 1.00 0.00 C ATOM 514 CD PRO A 35 -6.145 4.359 -9.819 1.00 0.00 C ATOM 0 HA PRO A 35 -4.641 1.941 -11.405 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.790 3.025 -12.792 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.048 2.087 -11.335 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.969 5.079 -11.670 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.079 4.106 -10.725 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.984 5.408 -9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.576 3.885 -8.937 1.00 0.00 H new ATOM 522 N TRP A 36 -3.735 4.766 -12.398 1.00 0.00 N ATOM 523 CA TRP A 36 -2.994 5.486 -13.426 1.00 0.00 C ATOM 524 C TRP A 36 -1.564 5.761 -12.975 1.00 0.00 C ATOM 525 O TRP A 36 -0.620 5.620 -13.753 1.00 0.00 O ATOM 526 CB TRP A 36 -3.697 6.802 -13.764 1.00 0.00 C ATOM 527 CG TRP A 36 -4.346 7.449 -12.578 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.639 7.295 -12.165 1.00 0.00 C ATOM 529 CD2 TRP A 36 -3.734 8.356 -11.655 1.00 0.00 C ATOM 530 NE1 TRP A 36 -5.867 8.050 -11.041 1.00 0.00 N ATOM 531 CE2 TRP A 36 -4.713 8.710 -10.707 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.453 8.901 -11.535 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -4.450 9.584 -9.656 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.193 9.769 -10.491 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.188 10.104 -9.563 1.00 0.00 C ATOM 0 H TRP A 36 -3.769 5.238 -11.494 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.960 4.861 -14.318 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.972 7.493 -14.195 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.453 6.617 -14.527 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.374 6.671 -12.651 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.751 8.110 -10.537 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.680 8.649 -12.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.215 9.843 -8.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.206 10.196 -10.389 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.954 10.786 -8.759 1.00 0.00 H new ATOM 546 N CYS A 37 -1.411 6.152 -11.715 1.00 0.00 N ATOM 547 CA CYS A 37 -0.094 6.447 -11.160 1.00 0.00 C ATOM 548 C CYS A 37 0.938 5.431 -11.640 1.00 0.00 C ATOM 549 O CYS A 37 0.764 4.226 -11.467 1.00 0.00 O ATOM 550 CB CYS A 37 -0.151 6.452 -9.632 1.00 0.00 C ATOM 551 SG CYS A 37 1.422 6.855 -8.836 1.00 0.00 S ATOM 0 H CYS A 37 -2.182 6.272 -11.058 1.00 0.00 H new ATOM 0 HA CYS A 37 0.207 7.435 -11.508 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.904 7.171 -9.310 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.479 5.471 -9.288 1.00 0.00 H new ATOM 0 HG CYS A 37 1.205 7.627 -7.813 1.00 0.00 H new ATOM 557 N GLY A 38 2.013 5.928 -12.244 1.00 0.00 N ATOM 558 CA GLY A 38 3.056 5.050 -12.741 1.00 0.00 C ATOM 559 C GLY A 38 3.738 4.273 -11.632 1.00 0.00 C ATOM 560 O GLY A 38 3.839 3.048 -11.694 1.00 0.00 O ATOM 0 H GLY A 38 2.180 6.922 -12.398 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.627 4.351 -13.459 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.799 5.641 -13.277 1.00 0.00 H new ATOM 564 N HIS A 39 4.208 4.988 -10.614 1.00 0.00 N ATOM 565 CA HIS A 39 4.885 4.358 -9.486 1.00 0.00 C ATOM 566 C HIS A 39 4.014 3.267 -8.870 1.00 0.00 C ATOM 567 O HIS A 39 4.516 2.228 -8.439 1.00 0.00 O ATOM 568 CB HIS A 39 5.238 5.403 -8.428 1.00 0.00 C ATOM 569 CG HIS A 39 6.171 6.465 -8.923 1.00 0.00 C ATOM 570 ND1 HIS A 39 6.095 7.781 -8.519 1.00 0.00 N ATOM 571 CD2 HIS A 39 7.206 6.400 -9.793 1.00 0.00 C ATOM 572 CE1 HIS A 39 7.041 8.480 -9.120 1.00 0.00 C ATOM 573 NE2 HIS A 39 7.730 7.664 -9.898 1.00 0.00 N ATOM 0 H HIS A 39 4.132 6.003 -10.547 1.00 0.00 H new ATOM 0 HA HIS A 39 5.803 3.900 -9.854 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.321 5.873 -8.073 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.691 4.903 -7.572 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.555 5.517 -10.309 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.221 9.538 -8.997 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.523 7.930 -10.482 1.00 0.00 H new ATOM 582 N CYS A 40 2.709 3.511 -8.831 1.00 0.00 N ATOM 583 CA CYS A 40 1.768 2.550 -8.266 1.00 0.00 C ATOM 584 C CYS A 40 1.722 1.277 -9.105 1.00 0.00 C ATOM 585 O CYS A 40 1.718 0.168 -8.570 1.00 0.00 O ATOM 586 CB CYS A 40 0.371 3.166 -8.174 1.00 0.00 C ATOM 587 SG CYS A 40 0.236 4.514 -6.977 1.00 0.00 S ATOM 0 H CYS A 40 2.278 4.366 -9.184 1.00 0.00 H new ATOM 0 HA CYS A 40 2.109 2.291 -7.264 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.084 3.538 -9.158 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.342 2.385 -7.908 1.00 0.00 H new ATOM 0 HG CYS A 40 0.732 5.601 -7.490 1.00 0.00 H new ATOM 593 N LYS A 41 1.685 1.444 -10.422 1.00 0.00 N ATOM 594 CA LYS A 41 1.638 0.309 -11.337 1.00 0.00 C ATOM 595 C LYS A 41 2.721 -0.710 -10.995 1.00 0.00 C ATOM 596 O LYS A 41 2.591 -1.894 -11.305 1.00 0.00 O ATOM 597 CB LYS A 41 1.808 0.784 -12.781 1.00 0.00 C ATOM 598 CG LYS A 41 0.605 1.540 -13.318 1.00 0.00 C ATOM 599 CD LYS A 41 0.871 2.101 -14.705 1.00 0.00 C ATOM 600 CE LYS A 41 -0.356 2.801 -15.269 1.00 0.00 C ATOM 601 NZ LYS A 41 -1.490 1.856 -15.467 1.00 0.00 N ATOM 0 H LYS A 41 1.687 2.355 -10.881 1.00 0.00 H new ATOM 0 HA LYS A 41 0.665 -0.171 -11.231 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.687 1.426 -12.842 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.998 -0.079 -13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.258 0.875 -13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.352 2.354 -12.638 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.703 2.803 -14.661 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.170 1.294 -15.374 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.662 3.599 -14.593 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.102 3.269 -16.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.215 2.304 -16.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.145 0.992 -15.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.903 1.611 -14.544 1.00 0.00 H new ATOM 615 N GLN A 42 3.788 -0.241 -10.356 1.00 0.00 N ATOM 616 CA GLN A 42 4.892 -1.113 -9.972 1.00 0.00 C ATOM 617 C GLN A 42 4.624 -1.769 -8.622 1.00 0.00 C ATOM 618 O GLN A 42 5.162 -2.835 -8.320 1.00 0.00 O ATOM 619 CB GLN A 42 6.199 -0.321 -9.917 1.00 0.00 C ATOM 620 CG GLN A 42 6.728 0.077 -11.286 1.00 0.00 C ATOM 621 CD GLN A 42 7.493 -1.043 -11.964 1.00 0.00 C ATOM 622 OE1 GLN A 42 8.147 -1.851 -11.304 1.00 0.00 O ATOM 623 NE2 GLN A 42 7.415 -1.096 -13.288 1.00 0.00 N ATOM 0 H GLN A 42 3.911 0.737 -10.093 1.00 0.00 H new ATOM 0 HA GLN A 42 4.981 -1.897 -10.724 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.044 0.578 -9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.954 -0.917 -9.404 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.894 0.378 -11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.379 0.945 -11.182 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.861 -0.405 -13.794 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.909 -1.828 -13.799 1.00 0.00 H new ATOM 632 N LEU A 43 3.790 -1.125 -7.812 1.00 0.00 N ATOM 633 CA LEU A 43 3.450 -1.646 -6.493 1.00 0.00 C ATOM 634 C LEU A 43 2.363 -2.711 -6.591 1.00 0.00 C ATOM 635 O LEU A 43 2.169 -3.502 -5.668 1.00 0.00 O ATOM 636 CB LEU A 43 2.987 -0.511 -5.578 1.00 0.00 C ATOM 637 CG LEU A 43 3.107 -0.767 -4.076 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.568 -0.873 -3.667 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.410 0.333 -3.289 1.00 0.00 C ATOM 0 H LEU A 43 3.337 -0.241 -8.046 1.00 0.00 H new ATOM 0 HA LEU A 43 4.344 -2.104 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.563 0.382 -5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.944 -0.290 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 43 2.618 -1.714 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.633 -1.055 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.037 -1.697 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.082 0.057 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.506 0.134 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.869 1.294 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.354 0.361 -3.559 1.00 0.00 H new ATOM 651 N ALA A 44 1.657 -2.727 -7.717 1.00 0.00 N ATOM 652 CA ALA A 44 0.592 -3.698 -7.938 1.00 0.00 C ATOM 653 C ALA A 44 1.072 -5.115 -7.643 1.00 0.00 C ATOM 654 O ALA A 44 0.472 -5.848 -6.856 1.00 0.00 O ATOM 655 CB ALA A 44 0.076 -3.599 -9.366 1.00 0.00 C ATOM 0 H ALA A 44 1.803 -2.078 -8.490 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.224 -3.469 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.719 -4.330 -9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.314 -2.597 -9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.891 -3.800 -10.062 1.00 0.00 H new ATOM 661 N PRO A 45 2.178 -5.513 -8.289 1.00 0.00 N ATOM 662 CA PRO A 45 2.762 -6.846 -8.112 1.00 0.00 C ATOM 663 C PRO A 45 3.384 -7.027 -6.732 1.00 0.00 C ATOM 664 O PRO A 45 3.101 -8.003 -6.036 1.00 0.00 O ATOM 665 CB PRO A 45 3.840 -6.908 -9.197 1.00 0.00 C ATOM 666 CG PRO A 45 4.204 -5.485 -9.451 1.00 0.00 C ATOM 667 CD PRO A 45 2.944 -4.692 -9.241 1.00 0.00 C ATOM 0 HA PRO A 45 2.013 -7.633 -8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.703 -7.484 -8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.465 -7.388 -10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.990 -5.156 -8.771 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.583 -5.354 -10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.155 -3.702 -8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.400 -4.547 -10.175 1.00 0.00 H new ATOM 675 N ILE A 46 4.233 -6.082 -6.342 1.00 0.00 N ATOM 676 CA ILE A 46 4.894 -6.138 -5.044 1.00 0.00 C ATOM 677 C ILE A 46 3.876 -6.248 -3.913 1.00 0.00 C ATOM 678 O ILE A 46 4.097 -6.960 -2.933 1.00 0.00 O ATOM 679 CB ILE A 46 5.775 -4.898 -4.807 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.791 -4.743 -5.940 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.483 -5.000 -3.464 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.160 -3.304 -6.228 1.00 0.00 C ATOM 0 H ILE A 46 4.479 -5.269 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 46 5.525 -7.027 -5.050 1.00 0.00 H new ATOM 0 HB ILE A 46 5.137 -4.015 -4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.694 -5.297 -5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.385 -5.194 -6.846 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.102 -4.116 -3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.743 -5.067 -2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.112 -5.890 -3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.884 -3.270 -7.042 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.266 -2.749 -6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.596 -2.855 -5.336 1.00 0.00 H new ATOM 694 N TRP A 47 2.761 -5.541 -4.057 1.00 0.00 N ATOM 695 CA TRP A 47 1.708 -5.561 -3.049 1.00 0.00 C ATOM 696 C TRP A 47 0.963 -6.892 -3.065 1.00 0.00 C ATOM 697 O TRP A 47 0.552 -7.396 -2.020 1.00 0.00 O ATOM 698 CB TRP A 47 0.727 -4.411 -3.283 1.00 0.00 C ATOM 699 CG TRP A 47 -0.185 -4.162 -2.120 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.538 -4.345 -2.087 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.189 -3.685 -0.824 1.00 0.00 C ATOM 702 NE1 TRP A 47 -2.028 -4.009 -0.848 1.00 0.00 N ATOM 703 CE2 TRP A 47 -0.988 -3.602 -0.054 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.404 -3.321 -0.237 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.983 -3.169 1.269 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.407 -2.891 1.077 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.220 -2.819 1.818 1.00 0.00 C ATOM 0 H TRP A 47 2.563 -4.947 -4.862 1.00 0.00 H new ATOM 0 HA TRP A 47 2.174 -5.439 -2.071 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.289 -3.502 -3.496 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.127 -4.629 -4.166 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.135 -4.701 -2.913 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.007 -4.055 -0.565 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.324 -3.375 -0.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.897 -3.111 1.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.340 -2.606 1.540 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.256 -2.480 2.843 1.00 0.00 H new ATOM 718 N ASP A 48 0.794 -7.455 -4.256 1.00 0.00 N ATOM 719 CA ASP A 48 0.100 -8.728 -4.408 1.00 0.00 C ATOM 720 C ASP A 48 0.959 -9.880 -3.897 1.00 0.00 C ATOM 721 O ASP A 48 0.443 -10.915 -3.474 1.00 0.00 O ATOM 722 CB ASP A 48 -0.268 -8.961 -5.874 1.00 0.00 C ATOM 723 CG ASP A 48 -0.407 -10.433 -6.209 1.00 0.00 C ATOM 724 OD1 ASP A 48 -1.287 -11.095 -5.621 1.00 0.00 O ATOM 725 OD2 ASP A 48 0.366 -10.924 -7.060 1.00 0.00 O ATOM 0 H ASP A 48 1.128 -7.050 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.813 -8.689 -3.814 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.205 -8.451 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.496 -8.517 -6.512 1.00 0.00 H new ATOM 730 N LYS A 49 2.274 -9.695 -3.940 1.00 0.00 N ATOM 731 CA LYS A 49 3.207 -10.717 -3.481 1.00 0.00 C ATOM 732 C LYS A 49 3.304 -10.722 -1.959 1.00 0.00 C ATOM 733 O LYS A 49 3.596 -11.751 -1.349 1.00 0.00 O ATOM 734 CB LYS A 49 4.591 -10.484 -4.090 1.00 0.00 C ATOM 735 CG LYS A 49 4.690 -10.891 -5.550 1.00 0.00 C ATOM 736 CD LYS A 49 5.717 -10.053 -6.294 1.00 0.00 C ATOM 737 CE LYS A 49 7.136 -10.494 -5.971 1.00 0.00 C ATOM 738 NZ LYS A 49 8.116 -9.989 -6.973 1.00 0.00 N ATOM 0 H LYS A 49 2.718 -8.845 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 49 2.832 -11.687 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.846 -9.428 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.330 -11.042 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.961 -11.945 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.716 -10.781 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.545 -10.134 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.592 -9.003 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.412 -10.133 -4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.179 -11.583 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.071 -10.311 -6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.868 -10.353 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.094 -8.949 -6.987 1.00 0.00 H new ATOM 752 N LEU A 50 3.056 -9.567 -1.351 1.00 0.00 N ATOM 753 CA LEU A 50 3.114 -9.439 0.101 1.00 0.00 C ATOM 754 C LEU A 50 1.793 -9.861 0.738 1.00 0.00 C ATOM 755 O LEU A 50 1.775 -10.470 1.806 1.00 0.00 O ATOM 756 CB LEU A 50 3.444 -7.998 0.492 1.00 0.00 C ATOM 757 CG LEU A 50 2.914 -7.532 1.849 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.720 -8.153 2.979 1.00 0.00 C ATOM 759 CD2 LEU A 50 2.945 -6.013 1.941 1.00 0.00 C ATOM 0 H LEU A 50 2.813 -8.706 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 50 3.900 -10.098 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.528 -7.881 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.049 -7.334 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 50 1.879 -7.861 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.328 -7.810 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.646 -9.239 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.765 -7.856 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.564 -5.700 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.970 -5.662 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.323 -5.588 1.153 1.00 0.00 H new ATOM 771 N GLY A 51 0.690 -9.533 0.072 1.00 0.00 N ATOM 772 CA GLY A 51 -0.620 -9.888 0.587 1.00 0.00 C ATOM 773 C GLY A 51 -0.787 -11.384 0.766 1.00 0.00 C ATOM 774 O GLY A 51 -1.330 -11.838 1.773 1.00 0.00 O ATOM 0 H GLY A 51 0.680 -9.028 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.778 -9.391 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.387 -9.519 -0.094 1.00 0.00 H new ATOM 778 N GLU A 52 -0.320 -12.151 -0.214 1.00 0.00 N ATOM 779 CA GLU A 52 -0.423 -13.605 -0.160 1.00 0.00 C ATOM 780 C GLU A 52 0.363 -14.163 1.023 1.00 0.00 C ATOM 781 O GLU A 52 0.034 -15.221 1.559 1.00 0.00 O ATOM 782 CB GLU A 52 0.088 -14.223 -1.463 1.00 0.00 C ATOM 783 CG GLU A 52 1.590 -14.450 -1.481 1.00 0.00 C ATOM 784 CD GLU A 52 2.059 -15.155 -2.739 1.00 0.00 C ATOM 785 OE1 GLU A 52 1.518 -14.854 -3.823 1.00 0.00 O ATOM 786 OE2 GLU A 52 2.966 -16.007 -2.639 1.00 0.00 O ATOM 0 H GLU A 52 0.133 -11.791 -1.054 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.474 -13.865 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.417 -15.175 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.183 -13.572 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.100 -13.490 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.875 -15.041 -0.610 1.00 0.00 H new ATOM 793 N THR A 53 1.406 -13.443 1.426 1.00 0.00 N ATOM 794 CA THR A 53 2.240 -13.865 2.544 1.00 0.00 C ATOM 795 C THR A 53 1.471 -13.805 3.858 1.00 0.00 C ATOM 796 O THR A 53 1.607 -14.685 4.709 1.00 0.00 O ATOM 797 CB THR A 53 3.504 -12.992 2.662 1.00 0.00 C ATOM 798 OG1 THR A 53 4.252 -13.045 1.442 1.00 0.00 O ATOM 799 CG2 THR A 53 4.376 -13.457 3.818 1.00 0.00 C ATOM 0 H THR A 53 1.693 -12.565 0.994 1.00 0.00 H new ATOM 0 HA THR A 53 2.535 -14.895 2.346 1.00 0.00 H new ATOM 0 HB THR A 53 3.193 -11.965 2.852 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.788 -12.527 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.262 -12.826 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.813 -13.388 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.678 -14.491 3.653 1.00 0.00 H new ATOM 807 N TYR A 54 0.661 -12.764 4.017 1.00 0.00 N ATOM 808 CA TYR A 54 -0.130 -12.590 5.230 1.00 0.00 C ATOM 809 C TYR A 54 -1.620 -12.717 4.931 1.00 0.00 C ATOM 810 O TYR A 54 -2.451 -12.069 5.567 1.00 0.00 O ATOM 811 CB TYR A 54 0.160 -11.227 5.861 1.00 0.00 C ATOM 812 CG TYR A 54 1.629 -10.979 6.119 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.482 -10.602 5.089 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.165 -11.122 7.393 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.825 -10.376 5.320 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.506 -10.896 7.634 1.00 0.00 C ATOM 817 CZ TYR A 54 4.332 -10.524 6.594 1.00 0.00 C ATOM 818 OH TYR A 54 5.669 -10.298 6.829 1.00 0.00 O ATOM 0 H TYR A 54 0.535 -12.028 3.322 1.00 0.00 H new ATOM 0 HA TYR A 54 0.150 -13.376 5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.222 -10.444 5.206 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.384 -11.149 6.802 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.088 -10.484 4.090 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.521 -11.415 8.209 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.474 -10.085 4.508 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.905 -11.010 8.631 1.00 0.00 H new ATOM 0 HH TYR A 54 5.864 -10.444 7.778 1.00 0.00 H new ATOM 828 N LYS A 55 -1.952 -13.559 3.958 1.00 0.00 N ATOM 829 CA LYS A 55 -3.342 -13.776 3.574 1.00 0.00 C ATOM 830 C LYS A 55 -4.052 -14.672 4.584 1.00 0.00 C ATOM 831 O LYS A 55 -5.254 -14.533 4.814 1.00 0.00 O ATOM 832 CB LYS A 55 -3.415 -14.403 2.180 1.00 0.00 C ATOM 833 CG LYS A 55 -3.095 -15.888 2.164 1.00 0.00 C ATOM 834 CD LYS A 55 -2.856 -16.391 0.750 1.00 0.00 C ATOM 835 CE LYS A 55 -1.882 -17.560 0.732 1.00 0.00 C ATOM 836 NZ LYS A 55 -1.933 -18.304 -0.557 1.00 0.00 N ATOM 0 H LYS A 55 -1.277 -14.103 3.421 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.844 -12.809 3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.415 -14.251 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.721 -13.883 1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.211 -16.077 2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.917 -16.443 2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.803 -16.698 0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.465 -15.580 0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.870 -17.192 0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.114 -18.239 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.255 -19.092 -0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.892 -18.677 -0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.687 -17.663 -1.338 1.00 0.00 H new ATOM 850 N ASP A 56 -3.302 -15.589 5.185 1.00 0.00 N ATOM 851 CA ASP A 56 -3.860 -16.506 6.172 1.00 0.00 C ATOM 852 C ASP A 56 -3.232 -16.275 7.543 1.00 0.00 C ATOM 853 O ASP A 56 -3.214 -17.171 8.388 1.00 0.00 O ATOM 854 CB ASP A 56 -3.642 -17.955 5.735 1.00 0.00 C ATOM 855 CG ASP A 56 -2.288 -18.167 5.088 1.00 0.00 C ATOM 856 OD1 ASP A 56 -1.278 -18.198 5.822 1.00 0.00 O ATOM 857 OD2 ASP A 56 -2.237 -18.301 3.847 1.00 0.00 O ATOM 0 H ASP A 56 -2.306 -15.717 5.006 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.931 -16.315 6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.734 -18.610 6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.425 -18.242 5.034 1.00 0.00 H new ATOM 862 N HIS A 57 -2.717 -15.069 7.757 1.00 0.00 N ATOM 863 CA HIS A 57 -2.087 -14.720 9.026 1.00 0.00 C ATOM 864 C HIS A 57 -3.101 -14.762 10.165 1.00 0.00 C ATOM 865 O HIS A 57 -4.255 -15.137 9.967 1.00 0.00 O ATOM 866 CB HIS A 57 -1.454 -13.331 8.941 1.00 0.00 C ATOM 867 CG HIS A 57 -0.147 -13.223 9.665 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.046 -12.811 10.977 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.117 -13.477 9.253 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.224 -12.815 11.340 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.951 -13.216 10.313 1.00 0.00 N ATOM 0 H HIS A 57 -2.723 -14.317 7.068 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.307 -15.454 9.230 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.302 -13.074 7.893 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.149 -12.598 9.351 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.415 -13.821 8.273 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.604 -12.537 12.312 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.966 -13.316 10.308 1.00 0.00 H new ATOM 880 N GLU A 58 -2.660 -14.373 11.358 1.00 0.00 N ATOM 881 CA GLU A 58 -3.529 -14.368 12.528 1.00 0.00 C ATOM 882 C GLU A 58 -4.003 -12.953 12.848 1.00 0.00 C ATOM 883 O GLU A 58 -5.183 -12.727 13.112 1.00 0.00 O ATOM 884 CB GLU A 58 -2.799 -14.958 13.736 1.00 0.00 C ATOM 885 CG GLU A 58 -1.322 -14.606 13.787 1.00 0.00 C ATOM 886 CD GLU A 58 -0.497 -15.406 12.797 1.00 0.00 C ATOM 887 OE1 GLU A 58 -1.094 -16.153 11.994 1.00 0.00 O ATOM 888 OE2 GLU A 58 0.745 -15.284 12.826 1.00 0.00 O ATOM 0 H GLU A 58 -1.707 -14.058 11.539 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.401 -14.983 12.303 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.280 -14.605 14.648 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.905 -16.043 13.719 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.198 -13.543 13.582 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.945 -14.782 14.794 1.00 0.00 H new ATOM 895 N ASN A 59 -3.072 -12.004 12.823 1.00 0.00 N ATOM 896 CA ASN A 59 -3.393 -10.611 13.111 1.00 0.00 C ATOM 897 C ASN A 59 -3.045 -9.716 11.926 1.00 0.00 C ATOM 898 O ASN A 59 -3.648 -8.660 11.734 1.00 0.00 O ATOM 899 CB ASN A 59 -2.641 -10.140 14.358 1.00 0.00 C ATOM 900 CG ASN A 59 -1.149 -10.013 14.120 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.402 -11.049 14.481 1.00 0.00 O flip ATOM 902 ND2 ASN A 59 -0.674 -8.995 13.616 1.00 0.00 N flip ATOM 0 H ASN A 59 -2.090 -12.175 12.606 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.465 -10.542 13.293 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.039 -9.176 14.676 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.818 -10.843 15.172 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.286 -8.222 13.354 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.332 -8.924 13.461 1.00 0.00 H new ATOM 909 N ILE A 60 -2.069 -10.146 11.133 1.00 0.00 N ATOM 910 CA ILE A 60 -1.642 -9.385 9.966 1.00 0.00 C ATOM 911 C ILE A 60 -2.550 -9.657 8.771 1.00 0.00 C ATOM 912 O ILE A 60 -2.627 -10.783 8.279 1.00 0.00 O ATOM 913 CB ILE A 60 -0.189 -9.717 9.578 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.732 -9.568 10.791 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.274 -8.819 8.441 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.196 -9.770 10.466 1.00 0.00 C ATOM 0 H ILE A 60 -1.559 -11.018 11.278 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.705 -8.331 10.236 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.146 -10.752 9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.597 -8.575 11.220 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.435 -10.288 11.554 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.303 -9.066 8.178 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.368 -8.970 7.573 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.220 -7.777 8.755 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.790 -9.650 11.372 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.345 -10.773 10.065 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.510 -9.033 9.726 1.00 0.00 H new ATOM 928 N VAL A 61 -3.235 -8.616 8.307 1.00 0.00 N ATOM 929 CA VAL A 61 -4.136 -8.741 7.167 1.00 0.00 C ATOM 930 C VAL A 61 -3.875 -7.647 6.138 1.00 0.00 C ATOM 931 O VAL A 61 -4.187 -6.478 6.368 1.00 0.00 O ATOM 932 CB VAL A 61 -5.611 -8.676 7.607 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.491 -8.212 6.457 1.00 0.00 C ATOM 934 CG2 VAL A 61 -6.070 -10.029 8.130 1.00 0.00 C ATOM 0 H VAL A 61 -3.183 -7.677 8.703 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.942 -9.714 6.716 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.700 -7.951 8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.529 -8.172 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.175 -7.220 6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.401 -8.911 5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.114 -9.965 8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.968 -10.777 7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.458 -10.315 8.985 1.00 0.00 H new ATOM 944 N ILE A 62 -3.302 -8.033 5.003 1.00 0.00 N ATOM 945 CA ILE A 62 -3.001 -7.085 3.938 1.00 0.00 C ATOM 946 C ILE A 62 -4.252 -6.746 3.135 1.00 0.00 C ATOM 947 O ILE A 62 -5.095 -7.607 2.887 1.00 0.00 O ATOM 948 CB ILE A 62 -1.924 -7.634 2.984 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.646 -7.965 3.757 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.635 -6.630 1.878 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.047 -6.747 4.328 1.00 0.00 C ATOM 0 H ILE A 62 -3.037 -8.996 4.797 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.624 -6.181 4.416 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.298 -8.551 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.889 -8.649 4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.044 -8.489 3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.872 -7.032 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.547 -6.440 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.279 -5.698 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.945 -7.057 4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.322 -6.072 3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.626 -6.234 5.015 1.00 0.00 H new ATOM 963 N ALA A 63 -4.363 -5.485 2.729 1.00 0.00 N ATOM 964 CA ALA A 63 -5.509 -5.032 1.950 1.00 0.00 C ATOM 965 C ALA A 63 -5.129 -3.869 1.040 1.00 0.00 C ATOM 966 O ALA A 63 -4.222 -3.096 1.349 1.00 0.00 O ATOM 967 CB ALA A 63 -6.650 -4.631 2.873 1.00 0.00 C ATOM 0 H ALA A 63 -3.674 -4.760 2.927 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.839 -5.859 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.499 -4.295 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.947 -5.488 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.322 -3.822 3.526 1.00 0.00 H new ATOM 973 N LYS A 64 -5.827 -3.751 -0.085 1.00 0.00 N ATOM 974 CA LYS A 64 -5.564 -2.682 -1.041 1.00 0.00 C ATOM 975 C LYS A 64 -6.841 -1.912 -1.361 1.00 0.00 C ATOM 976 O LYS A 64 -7.921 -2.494 -1.453 1.00 0.00 O ATOM 977 CB LYS A 64 -4.965 -3.256 -2.327 1.00 0.00 C ATOM 978 CG LYS A 64 -5.939 -4.106 -3.125 1.00 0.00 C ATOM 979 CD LYS A 64 -5.350 -4.521 -4.463 1.00 0.00 C ATOM 980 CE LYS A 64 -6.382 -5.224 -5.331 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.760 -5.863 -6.524 1.00 0.00 N ATOM 0 H LYS A 64 -6.580 -4.383 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.849 -1.993 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.615 -2.435 -2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.093 -3.859 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.203 -4.994 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.861 -3.548 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.973 -3.641 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.500 -5.183 -4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.898 -5.981 -4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.135 -4.505 -5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.496 -6.332 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.289 -5.137 -7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.060 -6.567 -6.215 1.00 0.00 H new ATOM 995 N MET A 65 -6.709 -0.601 -1.532 1.00 0.00 N ATOM 996 CA MET A 65 -7.852 0.248 -1.846 1.00 0.00 C ATOM 997 C MET A 65 -7.464 1.339 -2.839 1.00 0.00 C ATOM 998 O MET A 65 -6.391 1.934 -2.733 1.00 0.00 O ATOM 999 CB MET A 65 -8.412 0.879 -0.569 1.00 0.00 C ATOM 1000 CG MET A 65 -9.767 1.539 -0.761 1.00 0.00 C ATOM 1001 SD MET A 65 -10.506 2.074 0.795 1.00 0.00 S ATOM 1002 CE MET A 65 -10.809 3.804 0.448 1.00 0.00 C ATOM 0 H MET A 65 -5.822 -0.103 -1.458 1.00 0.00 H new ATOM 0 HA MET A 65 -8.621 -0.376 -2.302 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.497 0.110 0.199 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.704 1.621 -0.200 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.657 2.399 -1.421 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.440 0.840 -1.257 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.799 4.369 1.380 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.031 4.184 -0.215 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.781 3.914 -0.033 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.342 1.596 -3.801 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.091 2.616 -4.813 1.00 0.00 C ATOM 1014 C ASP A 66 -8.552 3.987 -4.327 1.00 0.00 C ATOM 1015 O ASP A 66 -9.746 4.287 -4.324 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.804 2.258 -6.118 1.00 0.00 C ATOM 1017 CG ASP A 66 -8.599 3.304 -7.195 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -7.960 4.337 -6.906 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -9.078 3.090 -8.328 1.00 0.00 O ATOM 0 H ASP A 66 -9.234 1.112 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.017 2.656 -4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.439 1.296 -6.476 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.871 2.143 -5.926 1.00 0.00 H new ATOM 1024 N SER A 67 -7.597 4.816 -3.917 1.00 0.00 N ATOM 1025 CA SER A 67 -7.905 6.153 -3.424 1.00 0.00 C ATOM 1026 C SER A 67 -8.496 7.018 -4.534 1.00 0.00 C ATOM 1027 O SER A 67 -9.312 7.905 -4.279 1.00 0.00 O ATOM 1028 CB SER A 67 -6.646 6.816 -2.862 1.00 0.00 C ATOM 1029 OG SER A 67 -6.969 7.737 -1.836 1.00 0.00 O ATOM 0 H SER A 67 -6.604 4.585 -3.917 1.00 0.00 H new ATOM 0 HA SER A 67 -8.643 6.058 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.973 6.053 -2.471 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.114 7.330 -3.662 1.00 0.00 H new ATOM 0 HG SER A 67 -7.794 8.211 -2.070 1.00 0.00 H new ATOM 1035 N THR A 68 -8.078 6.753 -5.768 1.00 0.00 N ATOM 1036 CA THR A 68 -8.564 7.506 -6.917 1.00 0.00 C ATOM 1037 C THR A 68 -9.969 7.064 -7.310 1.00 0.00 C ATOM 1038 O THR A 68 -10.663 7.758 -8.053 1.00 0.00 O ATOM 1039 CB THR A 68 -7.629 7.345 -8.130 1.00 0.00 C ATOM 1040 OG1 THR A 68 -7.938 6.134 -8.829 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.172 7.326 -7.692 1.00 0.00 C ATOM 0 H THR A 68 -7.404 6.022 -5.997 1.00 0.00 H new ATOM 0 HA THR A 68 -8.586 8.555 -6.621 1.00 0.00 H new ATOM 0 HB THR A 68 -7.781 8.196 -8.794 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.891 5.377 -8.208 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.531 7.211 -8.566 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.932 8.261 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.008 6.492 -7.010 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.382 5.906 -6.807 1.00 0.00 N ATOM 1050 CA ALA A 69 -11.706 5.373 -7.104 1.00 0.00 C ATOM 1051 C ALA A 69 -12.579 5.343 -5.854 1.00 0.00 C ATOM 1052 O ALA A 69 -13.794 5.170 -5.938 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.592 3.979 -7.703 1.00 0.00 C ATOM 0 H ALA A 69 -9.819 5.319 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.180 6.032 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.588 3.594 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.012 4.025 -8.625 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.094 3.318 -6.994 1.00 0.00 H new ATOM 1059 N ASN A 70 -11.951 5.513 -4.695 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.671 5.505 -3.427 1.00 0.00 C ATOM 1061 C ASN A 70 -12.126 6.573 -2.485 1.00 0.00 C ATOM 1062 O ASN A 70 -10.919 6.663 -2.264 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.569 4.128 -2.768 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.066 3.016 -3.672 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.271 2.810 -3.817 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.136 2.292 -4.285 1.00 0.00 N ATOM 0 H ASN A 70 -10.945 5.658 -4.608 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.719 5.727 -3.631 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.531 3.935 -2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.147 4.127 -1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.410 1.530 -4.905 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.148 2.498 -4.135 1.00 0.00 H new ATOM 1073 N GLU A 71 -13.025 7.381 -1.932 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.634 8.444 -1.013 1.00 0.00 C ATOM 1075 C GLU A 71 -13.258 8.232 0.363 1.00 0.00 C ATOM 1076 O GLU A 71 -14.413 7.820 0.476 1.00 0.00 O ATOM 1077 CB GLU A 71 -13.049 9.808 -1.569 1.00 0.00 C ATOM 1078 CG GLU A 71 -14.522 10.123 -1.369 1.00 0.00 C ATOM 1079 CD GLU A 71 -15.059 11.087 -2.410 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -15.345 10.640 -3.541 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -15.193 12.287 -2.093 1.00 0.00 O ATOM 0 H GLU A 71 -14.029 7.320 -2.104 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.549 8.417 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.452 10.584 -1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.820 9.842 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.096 9.197 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.667 10.548 -0.376 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.486 8.516 1.407 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.963 8.357 2.776 1.00 0.00 C ATOM 1090 C VAL A 72 -12.394 9.440 3.685 1.00 0.00 C ATOM 1091 O VAL A 72 -11.240 9.841 3.542 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.587 6.975 3.344 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.365 5.877 2.637 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -11.088 6.740 3.224 1.00 0.00 C ATOM 0 H VAL A 72 -11.528 8.857 1.331 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.049 8.446 2.746 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.852 6.952 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.086 4.908 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.433 6.039 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.134 5.896 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.840 5.759 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.796 6.783 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.553 7.509 3.781 1.00 0.00 H new ATOM 1104 N GLU A 73 -13.213 9.910 4.621 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.791 10.948 5.554 1.00 0.00 C ATOM 1106 C GLU A 73 -11.858 10.377 6.617 1.00 0.00 C ATOM 1107 O GLU A 73 -11.057 11.100 7.209 1.00 0.00 O ATOM 1108 CB GLU A 73 -14.008 11.592 6.220 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.793 10.638 7.105 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.949 11.317 7.814 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -15.874 12.546 8.027 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -16.928 10.621 8.155 1.00 0.00 O ATOM 0 H GLU A 73 -14.172 9.588 4.753 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.250 11.708 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.677 12.441 6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.669 11.985 5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.176 9.817 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.123 10.201 7.846 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.968 9.074 6.855 1.00 0.00 N ATOM 1120 CA ALA A 74 -11.134 8.404 7.845 1.00 0.00 C ATOM 1121 C ALA A 74 -9.670 8.405 7.421 1.00 0.00 C ATOM 1122 O ALA A 74 -8.778 8.151 8.230 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.621 6.980 8.069 1.00 0.00 C ATOM 0 H ALA A 74 -12.627 8.461 6.375 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.213 8.954 8.783 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.989 6.492 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.651 7.000 8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.573 6.427 7.131 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.428 8.691 6.145 1.00 0.00 N ATOM 1130 CA VAL A 75 -8.071 8.725 5.613 1.00 0.00 C ATOM 1131 C VAL A 75 -7.981 9.640 4.397 1.00 0.00 C ATOM 1132 O VAL A 75 -8.608 9.389 3.368 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.588 7.316 5.218 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.400 7.405 4.272 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.234 6.509 6.458 1.00 0.00 C ATOM 0 H VAL A 75 -10.154 8.902 5.461 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.430 9.113 6.405 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.398 6.804 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.072 6.401 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.692 7.944 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.583 7.934 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.895 5.516 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.440 7.015 7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.113 6.416 7.095 1.00 0.00 H new ATOM 1145 N LYS A 76 -7.194 10.704 4.522 1.00 0.00 N ATOM 1146 CA LYS A 76 -7.019 11.658 3.434 1.00 0.00 C ATOM 1147 C LYS A 76 -5.689 11.432 2.721 1.00 0.00 C ATOM 1148 O LYS A 76 -4.621 11.662 3.290 1.00 0.00 O ATOM 1149 CB LYS A 76 -7.086 13.091 3.968 1.00 0.00 C ATOM 1150 CG LYS A 76 -8.499 13.568 4.253 1.00 0.00 C ATOM 1151 CD LYS A 76 -9.231 13.939 2.974 1.00 0.00 C ATOM 1152 CE LYS A 76 -10.738 13.952 3.178 1.00 0.00 C ATOM 1153 NZ LYS A 76 -11.206 15.233 3.777 1.00 0.00 N ATOM 0 H LYS A 76 -6.667 10.927 5.367 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.826 11.506 2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.498 13.157 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.624 13.762 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.050 12.785 4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.465 14.431 4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.900 14.921 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.975 13.228 2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.235 13.796 2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.024 13.123 3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.238 15.202 3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.751 15.370 4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.956 16.022 3.148 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.761 10.980 1.473 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.563 10.725 0.682 1.00 0.00 C ATOM 1169 C VAL A 77 -4.390 11.777 -0.408 1.00 0.00 C ATOM 1170 O VAL A 77 -5.281 11.983 -1.234 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.606 9.329 0.032 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.228 8.935 -0.478 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -5.133 8.299 1.019 1.00 0.00 C ATOM 0 H VAL A 77 -6.636 10.783 0.988 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.716 10.773 1.366 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.286 9.364 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.278 7.946 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.894 9.660 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.524 8.916 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.157 7.318 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.480 8.264 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.140 8.576 1.331 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.238 12.439 -0.406 1.00 0.00 N ATOM 1184 CA HIS A 78 -2.947 13.470 -1.397 1.00 0.00 C ATOM 1185 C HIS A 78 -1.730 13.091 -2.234 1.00 0.00 C ATOM 1186 O HIS A 78 -1.074 13.952 -2.819 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.709 14.815 -0.710 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.774 15.180 0.278 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -4.963 15.779 -0.084 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -3.826 15.025 1.622 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -5.699 15.979 0.995 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -5.032 15.530 2.043 1.00 0.00 N ATOM 0 H HIS A 78 -2.491 12.281 0.270 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.809 13.556 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.746 14.788 -0.200 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.646 15.595 -1.469 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.062 14.586 2.246 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.679 16.432 1.016 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -5.360 15.554 3.009 1.00 0.00 H new ATOM 1201 N SER A 79 -1.433 11.796 -2.286 1.00 0.00 N ATOM 1202 CA SER A 79 -0.291 11.303 -3.048 1.00 0.00 C ATOM 1203 C SER A 79 -0.353 9.786 -3.198 1.00 0.00 C ATOM 1204 O SER A 79 -1.119 9.113 -2.509 1.00 0.00 O ATOM 1205 CB SER A 79 1.017 11.707 -2.366 1.00 0.00 C ATOM 1206 OG SER A 79 1.298 10.864 -1.262 1.00 0.00 O ATOM 0 H SER A 79 -1.967 11.069 -1.810 1.00 0.00 H new ATOM 0 HA SER A 79 -0.327 11.751 -4.041 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.836 11.657 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.951 12.742 -2.030 1.00 0.00 H new ATOM 0 HG SER A 79 2.140 11.142 -0.844 1.00 0.00 H new ATOM 1212 N PHE A 80 0.461 9.254 -4.104 1.00 0.00 N ATOM 1213 CA PHE A 80 0.500 7.817 -4.347 1.00 0.00 C ATOM 1214 C PHE A 80 1.796 7.418 -5.046 1.00 0.00 C ATOM 1215 O PHE A 80 2.400 8.200 -5.782 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.702 7.388 -5.192 1.00 0.00 C ATOM 1217 CG PHE A 80 -1.982 8.070 -4.802 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.742 7.595 -3.746 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.426 9.186 -5.493 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.921 8.220 -3.385 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.603 9.816 -5.137 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.352 9.331 -4.082 1.00 0.00 C ATOM 0 H PHE A 80 1.103 9.797 -4.682 1.00 0.00 H new ATOM 0 HA PHE A 80 0.457 7.310 -3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.492 7.598 -6.241 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.832 6.309 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.409 6.726 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.845 9.568 -6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.504 7.840 -2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.937 10.686 -5.682 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.273 9.820 -3.803 1.00 0.00 H new ATOM 1232 N PRO A 81 2.235 6.173 -4.812 1.00 0.00 N ATOM 1233 CA PRO A 81 1.525 5.234 -3.939 1.00 0.00 C ATOM 1234 C PRO A 81 1.597 5.640 -2.471 1.00 0.00 C ATOM 1235 O PRO A 81 2.629 6.118 -1.998 1.00 0.00 O ATOM 1236 CB PRO A 81 2.262 3.912 -4.165 1.00 0.00 C ATOM 1237 CG PRO A 81 3.629 4.310 -4.603 1.00 0.00 C ATOM 1238 CD PRO A 81 3.459 5.585 -5.382 1.00 0.00 C ATOM 0 HA PRO A 81 0.461 5.189 -4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.296 3.317 -3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.765 3.306 -4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.285 4.461 -3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.083 3.534 -5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.317 6.247 -5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.353 5.392 -6.450 1.00 0.00 H new ATOM 1246 N THR A 82 0.495 5.447 -1.753 1.00 0.00 N ATOM 1247 CA THR A 82 0.433 5.794 -0.339 1.00 0.00 C ATOM 1248 C THR A 82 0.080 4.579 0.511 1.00 0.00 C ATOM 1249 O THR A 82 -0.931 3.916 0.274 1.00 0.00 O ATOM 1250 CB THR A 82 -0.600 6.907 -0.078 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.081 8.168 -0.513 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.953 6.980 1.400 1.00 0.00 C ATOM 0 H THR A 82 -0.367 5.052 -2.128 1.00 0.00 H new ATOM 0 HA THR A 82 1.423 6.154 -0.059 1.00 0.00 H new ATOM 0 HB THR A 82 -1.504 6.674 -0.640 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.631 8.512 -1.247 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.684 7.773 1.561 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.374 6.027 1.721 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.054 7.192 1.979 1.00 0.00 H new ATOM 1260 N LEU A 83 0.918 4.291 1.501 1.00 0.00 N ATOM 1261 CA LEU A 83 0.693 3.155 2.387 1.00 0.00 C ATOM 1262 C LEU A 83 0.392 3.623 3.808 1.00 0.00 C ATOM 1263 O LEU A 83 1.016 4.558 4.310 1.00 0.00 O ATOM 1264 CB LEU A 83 1.915 2.235 2.389 1.00 0.00 C ATOM 1265 CG LEU A 83 2.459 1.839 1.016 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.711 0.988 1.163 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.399 1.097 0.216 1.00 0.00 C ATOM 0 H LEU A 83 1.759 4.829 1.710 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.170 2.602 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.713 2.725 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.659 1.325 2.932 1.00 0.00 H new ATOM 0 HG LEU A 83 2.724 2.748 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.084 0.716 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.475 1.554 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.473 0.084 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.804 0.823 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.103 0.196 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.530 1.740 0.080 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.565 2.964 4.452 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.947 3.310 5.816 1.00 0.00 C ATOM 1281 C LYS A 84 -1.200 2.054 6.644 1.00 0.00 C ATOM 1282 O LYS A 84 -2.000 1.199 6.266 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.200 4.190 5.810 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.070 5.425 4.936 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.902 6.578 5.473 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.723 7.833 4.634 1.00 0.00 C ATOM 1287 NZ LYS A 84 -3.289 7.673 3.266 1.00 0.00 N ATOM 0 H LYS A 84 -1.090 2.187 4.051 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.124 3.864 6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.048 3.598 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.422 4.499 6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.023 5.725 4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.387 5.188 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.954 6.294 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.616 6.785 6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.207 8.674 5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.662 8.073 4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.831 8.347 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.120 6.703 2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.312 7.858 3.290 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.513 1.951 7.777 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.663 0.800 8.660 1.00 0.00 C ATOM 1303 C PHE A 85 -1.722 1.066 9.726 1.00 0.00 C ATOM 1304 O PHE A 85 -1.672 2.077 10.428 1.00 0.00 O ATOM 1305 CB PHE A 85 0.673 0.462 9.325 1.00 0.00 C ATOM 1306 CG PHE A 85 0.567 -0.610 10.372 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.672 -1.948 10.026 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.364 -0.280 11.702 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.575 -2.936 10.987 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.267 -1.264 12.668 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.373 -2.593 12.310 1.00 0.00 C ATOM 0 H PHE A 85 0.153 2.650 8.105 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.985 -0.049 8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.380 0.143 8.560 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.082 1.364 9.780 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.831 -2.221 8.993 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.281 0.758 11.988 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.657 -3.975 10.704 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.108 -0.993 13.701 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.298 -3.364 13.063 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.680 0.153 9.842 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.752 0.289 10.821 1.00 0.00 C ATOM 1323 C PHE A 86 -3.558 -0.685 11.979 1.00 0.00 C ATOM 1324 O PHE A 86 -3.728 -1.897 11.839 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.110 0.048 10.159 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.386 0.968 9.004 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.618 2.105 8.809 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.414 0.698 8.116 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.869 2.954 7.747 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.669 1.543 7.052 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.897 2.673 6.869 1.00 0.00 C ATOM 0 H PHE A 86 -2.736 -0.690 9.270 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.723 1.305 11.215 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.157 -0.984 9.811 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.895 0.169 10.905 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.814 2.330 9.494 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.023 -0.183 8.256 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.262 3.836 7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.471 1.319 6.365 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.097 3.336 6.040 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.192 -0.145 13.151 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.967 -0.948 14.357 1.00 0.00 C ATOM 1343 C PRO A 87 -4.261 -1.530 14.916 1.00 0.00 C ATOM 1344 O PRO A 87 -5.350 -1.036 14.627 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.360 0.054 15.342 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.859 1.382 14.887 1.00 0.00 C ATOM 1347 CD PRO A 87 -2.971 1.291 13.390 1.00 0.00 C ATOM 0 HA PRO A 87 -2.331 -1.811 14.160 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.673 -0.157 16.365 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.271 0.014 15.327 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.825 1.611 15.337 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.174 2.178 15.180 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.797 1.893 13.012 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.066 1.646 12.897 1.00 0.00 H new ATOM 1355 N ALA A 88 -4.133 -2.581 15.719 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.292 -3.227 16.322 1.00 0.00 C ATOM 1357 C ALA A 88 -5.858 -2.388 17.463 1.00 0.00 C ATOM 1358 O ALA A 88 -5.591 -2.656 18.634 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.923 -4.617 16.819 1.00 0.00 C ATOM 0 H ALA A 88 -3.238 -3.003 15.967 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.063 -3.319 15.557 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.798 -5.087 17.267 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.574 -5.222 15.982 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.132 -4.539 17.565 1.00 0.00 H new ATOM 1422 N THR A 93 -7.301 5.192 14.380 1.00 0.00 N ATOM 1423 CA THR A 93 -5.881 5.519 14.333 1.00 0.00 C ATOM 1424 C THR A 93 -5.239 4.993 13.054 1.00 0.00 C ATOM 1425 O THR A 93 -5.560 3.898 12.591 1.00 0.00 O ATOM 1426 CB THR A 93 -5.130 4.940 15.547 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.737 5.396 16.761 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.665 5.349 15.522 1.00 0.00 C ATOM 0 HA THR A 93 -5.806 6.606 14.354 1.00 0.00 H new ATOM 0 HB THR A 93 -5.188 3.853 15.498 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.696 5.533 16.616 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.155 4.929 16.389 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.199 4.976 14.610 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.590 6.436 15.549 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.329 5.779 12.487 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.640 5.391 11.263 1.00 0.00 C ATOM 1438 C VAL A 94 -2.150 5.704 11.348 1.00 0.00 C ATOM 1439 O VAL A 94 -1.759 6.828 11.663 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.234 6.105 10.034 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.256 6.068 8.870 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.564 5.478 9.645 1.00 0.00 C ATOM 0 H VAL A 94 -4.052 6.689 12.856 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.777 4.315 11.150 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.413 7.149 10.293 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.693 6.577 8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.331 6.568 9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.042 5.032 8.607 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.969 5.995 8.775 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.414 4.426 9.404 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.264 5.564 10.476 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.324 4.703 11.065 1.00 0.00 N ATOM 1453 CA ILE A 95 0.123 4.872 11.108 1.00 0.00 C ATOM 1454 C ILE A 95 0.701 5.026 9.705 1.00 0.00 C ATOM 1455 O ILE A 95 0.363 4.266 8.797 1.00 0.00 O ATOM 1456 CB ILE A 95 0.808 3.682 11.805 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.393 3.616 13.276 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.321 3.794 11.681 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.052 2.490 14.041 1.00 0.00 C ATOM 0 H ILE A 95 -1.632 3.766 10.803 1.00 0.00 H new ATOM 0 HA ILE A 95 0.318 5.779 11.680 1.00 0.00 H new ATOM 0 HB ILE A 95 0.490 2.762 11.315 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.638 4.563 13.757 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.689 3.499 13.335 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.791 2.946 12.179 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.600 3.797 10.627 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.657 4.720 12.148 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.711 2.505 15.076 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.787 1.536 13.585 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.134 2.616 14.014 1.00 0.00 H new ATOM 1471 N ASP A 96 1.574 6.012 9.535 1.00 0.00 N ATOM 1472 CA ASP A 96 2.202 6.264 8.243 1.00 0.00 C ATOM 1473 C ASP A 96 3.343 5.284 7.993 1.00 0.00 C ATOM 1474 O ASP A 96 4.018 4.850 8.927 1.00 0.00 O ATOM 1475 CB ASP A 96 2.723 7.701 8.178 1.00 0.00 C ATOM 1476 CG ASP A 96 2.675 8.270 6.774 1.00 0.00 C ATOM 1477 OD1 ASP A 96 3.548 7.910 5.956 1.00 0.00 O ATOM 1478 OD2 ASP A 96 1.763 9.076 6.492 1.00 0.00 O ATOM 0 H ASP A 96 1.863 6.651 10.276 1.00 0.00 H new ATOM 0 HA ASP A 96 1.450 6.123 7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.130 8.330 8.842 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.749 7.729 8.544 1.00 0.00 H new ATOM 1483 N TYR A 97 3.551 4.937 6.728 1.00 0.00 N ATOM 1484 CA TYR A 97 4.608 4.005 6.355 1.00 0.00 C ATOM 1485 C TYR A 97 5.686 4.704 5.532 1.00 0.00 C ATOM 1486 O TYR A 97 5.468 5.056 4.373 1.00 0.00 O ATOM 1487 CB TYR A 97 4.027 2.832 5.563 1.00 0.00 C ATOM 1488 CG TYR A 97 5.056 1.794 5.175 1.00 0.00 C ATOM 1489 CD1 TYR A 97 5.862 1.972 4.057 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.221 0.636 5.925 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.803 1.026 3.698 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.160 -0.314 5.574 1.00 0.00 C ATOM 1493 CZ TYR A 97 6.948 -0.115 4.460 1.00 0.00 C ATOM 1494 OH TYR A 97 7.884 -1.060 4.106 1.00 0.00 O ATOM 0 H TYR A 97 3.001 5.287 5.943 1.00 0.00 H new ATOM 0 HA TYR A 97 5.063 3.627 7.270 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.248 2.354 6.157 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.551 3.214 4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.751 2.864 3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.605 0.476 6.797 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.421 1.179 2.826 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.276 -1.208 6.169 1.00 0.00 H new ATOM 0 HH TYR A 97 7.538 -1.602 3.367 1.00 0.00 H new ATOM 1504 N ASN A 98 6.851 4.901 6.140 1.00 0.00 N ATOM 1505 CA ASN A 98 7.965 5.558 5.465 1.00 0.00 C ATOM 1506 C ASN A 98 9.213 4.682 5.497 1.00 0.00 C ATOM 1507 O ASN A 98 10.155 4.951 6.241 1.00 0.00 O ATOM 1508 CB ASN A 98 8.259 6.909 6.119 1.00 0.00 C ATOM 1509 CG ASN A 98 7.177 7.935 5.841 1.00 0.00 C ATOM 1510 OD1 ASN A 98 7.003 8.377 4.705 1.00 0.00 O ATOM 1511 ND2 ASN A 98 6.445 8.318 6.880 1.00 0.00 N ATOM 0 H ASN A 98 7.049 4.615 7.099 1.00 0.00 H new ATOM 0 HA ASN A 98 7.683 5.719 4.425 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.359 6.774 7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.215 7.285 5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.702 9.006 6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.625 7.924 7.804 1.00 0.00 H new ATOM 1518 N GLY A 99 9.213 3.631 4.682 1.00 0.00 N ATOM 1519 CA GLY A 99 10.351 2.731 4.631 1.00 0.00 C ATOM 1520 C GLY A 99 10.839 2.493 3.216 1.00 0.00 C ATOM 1521 O GLY A 99 10.699 3.357 2.351 1.00 0.00 O ATOM 0 H GLY A 99 8.445 3.387 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.164 3.144 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.077 1.778 5.083 1.00 0.00 H new ATOM 1525 N GLU A 100 11.416 1.319 2.980 1.00 0.00 N ATOM 1526 CA GLU A 100 11.929 0.972 1.660 1.00 0.00 C ATOM 1527 C GLU A 100 10.786 0.689 0.689 1.00 0.00 C ATOM 1528 O GLU A 100 10.971 0.714 -0.527 1.00 0.00 O ATOM 1529 CB GLU A 100 12.849 -0.248 1.751 1.00 0.00 C ATOM 1530 CG GLU A 100 12.182 -1.470 2.359 1.00 0.00 C ATOM 1531 CD GLU A 100 13.182 -2.511 2.821 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.678 -3.276 1.967 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.469 -2.562 4.035 1.00 0.00 O ATOM 0 H GLU A 100 11.540 0.593 3.685 1.00 0.00 H new ATOM 0 HA GLU A 100 12.499 1.822 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.206 -0.499 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.724 0.011 2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.568 -1.161 3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.512 -1.916 1.625 1.00 0.00 H new ATOM 1540 N ARG A 101 9.605 0.421 1.237 1.00 0.00 N ATOM 1541 CA ARG A 101 8.432 0.132 0.420 1.00 0.00 C ATOM 1542 C ARG A 101 8.693 -1.052 -0.506 1.00 0.00 C ATOM 1543 O ARG A 101 8.366 -1.011 -1.692 1.00 0.00 O ATOM 1544 CB ARG A 101 8.042 1.361 -0.403 1.00 0.00 C ATOM 1545 CG ARG A 101 6.670 1.252 -1.047 1.00 0.00 C ATOM 1546 CD ARG A 101 6.294 2.532 -1.777 1.00 0.00 C ATOM 1547 NE ARG A 101 7.378 3.017 -2.627 1.00 0.00 N ATOM 1548 CZ ARG A 101 8.327 3.845 -2.206 1.00 0.00 C ATOM 1549 NH1 ARG A 101 8.326 4.279 -0.953 1.00 0.00 N ATOM 1550 NH2 ARG A 101 9.281 4.242 -3.039 1.00 0.00 N ATOM 0 H ARG A 101 9.435 0.398 2.242 1.00 0.00 H new ATOM 0 HA ARG A 101 7.610 -0.125 1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.063 2.240 0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.788 1.518 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.661 0.417 -1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 101 5.924 1.035 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 101 5.408 2.355 -2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 101 6.032 3.300 -1.050 1.00 0.00 H new ATOM 0 HE ARG A 101 7.408 2.703 -3.597 1.00 0.00 H new ATOM 0 HH11 ARG A 101 7.595 3.977 -0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 101 9.056 4.915 -0.633 1.00 0.00 H new ATOM 0 HH21 ARG A 101 9.286 3.911 -4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 101 10.009 4.878 -2.714 1.00 0.00 H new ATOM 1564 N THR A 102 9.286 -2.108 0.044 1.00 0.00 N ATOM 1565 CA THR A 102 9.592 -3.303 -0.732 1.00 0.00 C ATOM 1566 C THR A 102 8.977 -4.544 -0.096 1.00 0.00 C ATOM 1567 O THR A 102 8.866 -4.638 1.127 1.00 0.00 O ATOM 1568 CB THR A 102 11.113 -3.509 -0.869 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.683 -3.808 0.410 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.777 -2.270 -1.449 1.00 0.00 C ATOM 0 H THR A 102 9.564 -2.159 1.024 1.00 0.00 H new ATOM 0 HA THR A 102 9.162 -3.156 -1.723 1.00 0.00 H new ATOM 0 HB THR A 102 11.285 -4.344 -1.548 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.559 -3.376 0.487 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.850 -2.439 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.361 -2.062 -2.435 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.596 -1.419 -0.792 1.00 0.00 H new ATOM 1578 N LEU A 103 8.580 -5.496 -0.933 1.00 0.00 N ATOM 1579 CA LEU A 103 7.976 -6.734 -0.452 1.00 0.00 C ATOM 1580 C LEU A 103 8.612 -7.175 0.863 1.00 0.00 C ATOM 1581 O LEU A 103 7.914 -7.465 1.835 1.00 0.00 O ATOM 1582 CB LEU A 103 8.126 -7.839 -1.499 1.00 0.00 C ATOM 1583 CG LEU A 103 7.666 -9.234 -1.075 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.180 -9.229 -0.752 1.00 0.00 C ATOM 1585 CD2 LEU A 103 7.973 -10.251 -2.164 1.00 0.00 C ATOM 0 H LEU A 103 8.665 -5.435 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 103 6.916 -6.548 -0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.566 -7.548 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.175 -7.897 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 103 8.212 -9.519 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.869 -10.230 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.987 -8.530 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.617 -8.924 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.639 -11.238 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.454 -9.971 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.047 -10.274 -2.348 1.00 0.00 H new ATOM 1597 N ASP A 104 9.939 -7.221 0.886 1.00 0.00 N ATOM 1598 CA ASP A 104 10.669 -7.622 2.083 1.00 0.00 C ATOM 1599 C ASP A 104 10.616 -6.529 3.145 1.00 0.00 C ATOM 1600 O ASP A 104 10.537 -6.812 4.339 1.00 0.00 O ATOM 1601 CB ASP A 104 12.124 -7.943 1.735 1.00 0.00 C ATOM 1602 CG ASP A 104 12.729 -8.973 2.668 1.00 0.00 C ATOM 1603 OD1 ASP A 104 12.558 -8.832 3.897 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.373 -9.920 2.170 1.00 0.00 O ATOM 0 H ASP A 104 10.531 -6.986 0.090 1.00 0.00 H new ATOM 0 HA ASP A 104 10.194 -8.517 2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.177 -8.310 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.715 -7.028 1.777 1.00 0.00 H new ATOM 1609 N GLY A 105 10.662 -5.276 2.700 1.00 0.00 N ATOM 1610 CA GLY A 105 10.619 -4.159 3.625 1.00 0.00 C ATOM 1611 C GLY A 105 9.324 -4.105 4.410 1.00 0.00 C ATOM 1612 O GLY A 105 9.311 -3.702 5.574 1.00 0.00 O ATOM 0 H GLY A 105 10.728 -5.016 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.457 -4.233 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.744 -3.228 3.072 1.00 0.00 H new ATOM 1616 N PHE A 106 8.230 -4.510 3.773 1.00 0.00 N ATOM 1617 CA PHE A 106 6.923 -4.504 4.419 1.00 0.00 C ATOM 1618 C PHE A 106 6.878 -5.508 5.567 1.00 0.00 C ATOM 1619 O PHE A 106 6.372 -5.209 6.649 1.00 0.00 O ATOM 1620 CB PHE A 106 5.827 -4.826 3.401 1.00 0.00 C ATOM 1621 CG PHE A 106 5.700 -3.800 2.311 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.721 -2.447 2.609 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.561 -4.189 0.988 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.605 -1.502 1.607 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.444 -3.248 -0.017 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.467 -1.903 0.293 1.00 0.00 C ATOM 0 H PHE A 106 8.223 -4.846 2.810 1.00 0.00 H new ATOM 0 HA PHE A 106 6.751 -3.507 4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.034 -5.798 2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.873 -4.912 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.829 -2.127 3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.544 -5.240 0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.622 -0.450 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.335 -3.564 -1.044 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.377 -1.166 -0.491 1.00 0.00 H new ATOM 1636 N LYS A 107 7.411 -6.700 5.322 1.00 0.00 N ATOM 1637 CA LYS A 107 7.434 -7.750 6.334 1.00 0.00 C ATOM 1638 C LYS A 107 8.112 -7.262 7.610 1.00 0.00 C ATOM 1639 O LYS A 107 7.693 -7.600 8.717 1.00 0.00 O ATOM 1640 CB LYS A 107 8.159 -8.987 5.799 1.00 0.00 C ATOM 1641 CG LYS A 107 7.555 -9.541 4.521 1.00 0.00 C ATOM 1642 CD LYS A 107 7.792 -11.037 4.394 1.00 0.00 C ATOM 1643 CE LYS A 107 7.863 -11.468 2.938 1.00 0.00 C ATOM 1644 NZ LYS A 107 8.237 -12.904 2.802 1.00 0.00 N ATOM 0 H LYS A 107 7.833 -6.963 4.431 1.00 0.00 H new ATOM 0 HA LYS A 107 6.403 -8.014 6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.204 -8.735 5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.146 -9.764 6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.484 -9.339 4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.988 -9.029 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.720 -11.304 4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.989 -11.578 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.898 -11.297 2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.592 -10.851 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.275 -13.159 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.170 -13.062 3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.528 -13.494 3.282 1.00 0.00 H new ATOM 1658 N LYS A 108 9.162 -6.464 7.448 1.00 0.00 N ATOM 1659 CA LYS A 108 9.898 -5.926 8.586 1.00 0.00 C ATOM 1660 C LYS A 108 9.013 -5.005 9.420 1.00 0.00 C ATOM 1661 O LYS A 108 8.908 -5.164 10.637 1.00 0.00 O ATOM 1662 CB LYS A 108 11.135 -5.163 8.106 1.00 0.00 C ATOM 1663 CG LYS A 108 11.982 -5.941 7.114 1.00 0.00 C ATOM 1664 CD LYS A 108 13.363 -5.327 6.957 1.00 0.00 C ATOM 1665 CE LYS A 108 14.085 -5.882 5.739 1.00 0.00 C ATOM 1666 NZ LYS A 108 15.433 -5.273 5.568 1.00 0.00 N ATOM 0 H LYS A 108 9.523 -6.175 6.539 1.00 0.00 H new ATOM 0 HA LYS A 108 10.214 -6.762 9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.818 -4.227 7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.748 -4.902 8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.078 -6.974 7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.481 -5.964 6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.273 -4.245 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.953 -5.523 7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.185 -6.963 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.487 -5.697 4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.893 -5.677 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.337 -4.244 5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.013 -5.471 6.408 1.00 0.00 H new ATOM 1680 N PHE A 109 8.376 -4.045 8.759 1.00 0.00 N ATOM 1681 CA PHE A 109 7.499 -3.099 9.440 1.00 0.00 C ATOM 1682 C PHE A 109 6.374 -3.829 10.167 1.00 0.00 C ATOM 1683 O PHE A 109 6.045 -3.505 11.310 1.00 0.00 O ATOM 1684 CB PHE A 109 6.912 -2.103 8.438 1.00 0.00 C ATOM 1685 CG PHE A 109 6.104 -1.012 9.081 1.00 0.00 C ATOM 1686 CD1 PHE A 109 6.721 0.123 9.580 1.00 0.00 C ATOM 1687 CD2 PHE A 109 4.726 -1.123 9.185 1.00 0.00 C ATOM 1688 CE1 PHE A 109 5.979 1.127 10.173 1.00 0.00 C ATOM 1689 CE2 PHE A 109 3.979 -0.121 9.777 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.606 1.006 10.270 1.00 0.00 C ATOM 0 H PHE A 109 8.450 -3.901 7.752 1.00 0.00 H new ATOM 0 HA PHE A 109 8.092 -2.556 10.176 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.724 -1.654 7.866 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.282 -2.641 7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.794 0.225 9.505 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.230 -2.002 8.799 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.472 2.006 10.561 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.906 -0.220 9.854 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.025 1.791 10.730 1.00 0.00 H new ATOM 1700 N LEU A 110 5.786 -4.814 9.498 1.00 0.00 N ATOM 1701 CA LEU A 110 4.696 -5.591 10.080 1.00 0.00 C ATOM 1702 C LEU A 110 5.200 -6.462 11.226 1.00 0.00 C ATOM 1703 O LEU A 110 4.799 -6.283 12.376 1.00 0.00 O ATOM 1704 CB LEU A 110 4.040 -6.465 9.010 1.00 0.00 C ATOM 1705 CG LEU A 110 3.525 -5.735 7.769 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.396 -6.698 6.599 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.190 -5.065 8.060 1.00 0.00 C ATOM 0 H LEU A 110 6.045 -5.094 8.552 1.00 0.00 H new ATOM 0 HA LEU A 110 3.956 -4.895 10.476 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.762 -7.217 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.205 -6.998 9.466 1.00 0.00 H new ATOM 0 HG LEU A 110 4.245 -4.963 7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.028 -6.161 5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.371 -7.131 6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.696 -7.493 6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.839 -4.550 7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.461 -5.820 8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.313 -4.344 8.869 1.00 0.00 H new ATOM 1719 N GLU A 111 6.082 -7.403 10.905 1.00 0.00 N ATOM 1720 CA GLU A 111 6.640 -8.300 11.909 1.00 0.00 C ATOM 1721 C GLU A 111 6.918 -7.554 13.211 1.00 0.00 C ATOM 1722 O GLU A 111 6.668 -8.071 14.300 1.00 0.00 O ATOM 1723 CB GLU A 111 7.930 -8.941 11.392 1.00 0.00 C ATOM 1724 CG GLU A 111 7.693 -10.085 10.420 1.00 0.00 C ATOM 1725 CD GLU A 111 8.859 -11.052 10.362 1.00 0.00 C ATOM 1726 OE1 GLU A 111 9.514 -11.256 11.405 1.00 0.00 O ATOM 1727 OE2 GLU A 111 9.116 -11.606 9.272 1.00 0.00 O ATOM 0 H GLU A 111 6.425 -7.564 9.958 1.00 0.00 H new ATOM 0 HA GLU A 111 5.907 -9.082 12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.534 -8.178 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.508 -9.309 12.240 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.792 -10.625 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.512 -9.679 9.425 1.00 0.00 H new ATOM 1734 N SER A 112 7.436 -6.336 13.090 1.00 0.00 N ATOM 1735 CA SER A 112 7.752 -5.520 14.256 1.00 0.00 C ATOM 1736 C SER A 112 6.485 -5.155 15.023 1.00 0.00 C ATOM 1737 O SER A 112 6.434 -5.263 16.248 1.00 0.00 O ATOM 1738 CB SER A 112 8.488 -4.248 13.831 1.00 0.00 C ATOM 1739 OG SER A 112 9.586 -4.552 12.988 1.00 0.00 O ATOM 0 H SER A 112 7.646 -5.892 12.196 1.00 0.00 H new ATOM 0 HA SER A 112 8.398 -6.103 14.912 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.799 -3.582 13.311 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.840 -3.715 14.714 1.00 0.00 H new ATOM 0 HG SER A 112 9.312 -4.469 12.051 1.00 0.00 H new ATOM 1745 N GLY A 113 5.462 -4.722 14.293 1.00 0.00 N ATOM 1746 CA GLY A 113 4.208 -4.348 14.920 1.00 0.00 C ATOM 1747 C GLY A 113 3.778 -2.940 14.561 1.00 0.00 C ATOM 1748 O GLY A 113 3.008 -2.313 15.288 1.00 0.00 O ATOM 0 H GLY A 113 5.479 -4.623 13.278 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.431 -5.050 14.618 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.308 -4.429 16.002 1.00 0.00 H new ATOM 1752 N GLY A 114 4.278 -2.438 13.435 1.00 0.00 N ATOM 1753 CA GLY A 114 3.931 -1.098 13.002 1.00 0.00 C ATOM 1754 C GLY A 114 4.603 -0.026 13.837 1.00 0.00 C ATOM 1755 O GLY A 114 4.064 1.067 14.004 1.00 0.00 O ATOM 0 H GLY A 114 4.917 -2.936 12.816 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.216 -0.972 11.957 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.850 -0.971 13.055 1.00 0.00 H new