USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 972 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 34 TYR OH : rot 86:sc= 0.462 USER MOD Set 1.2: A 53 HIS : no HE2:sc= 0.175 K(o=0.64,f=-1.8) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.043 (180deg=-0.352) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.188 (180deg=-0.286) USER MOD Single : A 2 ASN :FLIP amide:sc= -1.07 F(o=-1.6,f=-1.1) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.444 K(o=0.44,f=-2.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.9!) USER MOD Single : A 16 TYR OH : rot 100:sc= -0.248 USER MOD Single : A 17 ASN : amide:sc= 0.678 K(o=0.68,f=-2.8!) USER MOD Single : A 25 MET CE :methyl -146:sc= -1.75 (180deg=-3.13) USER MOD Single : A 32 CYS SG : rot -136:sc= -2.82! USER MOD Single : A 33 GLN : amide:sc= 0.247 K(o=0.25,f=-0.87) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.404 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.731 K(o=-0.73,f=-3.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.121 X(o=0.12,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-6.2!) USER MOD Single : A 81 THR OG1 : rot 140:sc= 0.098 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -0.586 F(o=-2.5!,f=-0.59) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= -0.385 USER MOD Single : A 99 TYR OH : rot -117:sc= -0.592 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.278 F(o=-1.6!,f=-0.28) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -34:sc= 0.198 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.715 0.334 0.951 1.00 0.00 N ATOM 2 CA MET A 1 1.892 0.386 -0.523 1.00 0.00 C ATOM 3 C MET A 1 2.172 -1.011 -1.123 1.00 0.00 C ATOM 4 O MET A 1 2.423 -1.131 -2.330 1.00 0.00 O ATOM 5 CB MET A 1 2.991 1.434 -0.897 1.00 0.00 C ATOM 6 CG MET A 1 4.364 1.250 -0.215 1.00 0.00 C ATOM 7 SD MET A 1 5.350 -0.105 -0.890 1.00 0.00 S ATOM 8 CE MET A 1 5.714 0.467 -2.556 1.00 0.00 C ATOM 0 H1 MET A 1 1.682 1.302 1.331 1.00 0.00 H new ATOM 0 H2 MET A 1 0.827 -0.157 1.177 1.00 0.00 H new ATOM 0 H3 MET A 1 2.513 -0.179 1.379 1.00 0.00 H new ATOM 0 HA MET A 1 0.954 0.715 -0.971 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.138 1.407 -1.977 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.616 2.427 -0.651 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.930 2.177 -0.307 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.208 1.076 0.850 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.531 -0.122 -2.972 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.829 0.352 -3.182 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.003 1.518 -2.525 1.00 0.00 H new ATOM 20 N ASN A 2 2.102 -2.071 -0.278 1.00 0.00 N ATOM 21 CA ASN A 2 2.262 -3.483 -0.712 1.00 0.00 C ATOM 22 C ASN A 2 0.951 -4.262 -0.447 1.00 0.00 C ATOM 23 O ASN A 2 0.961 -5.454 -0.113 1.00 0.00 O ATOM 24 CB ASN A 2 3.470 -4.148 0.005 1.00 0.00 C ATOM 25 CG ASN A 2 4.797 -3.429 -0.237 1.00 0.00 C ATOM 26 OD1 ASN A 2 5.214 -2.598 0.706 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 5.450 -3.631 -1.251 1.00 0.00 N flip ATOM 0 H ASN A 2 1.933 -1.971 0.723 1.00 0.00 H new ATOM 0 HA ASN A 2 2.467 -3.505 -1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.273 -4.179 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.559 -5.180 -0.333 1.00 0.00 H new ATOM 0 HD21 ASN A 2 5.104 -4.277 -1.960 1.00 0.00 H new ATOM 0 HD22 ASN A 2 6.341 -3.154 -1.387 1.00 0.00 H new ATOM 34 N SER A 3 -0.177 -3.560 -0.653 1.00 0.00 N ATOM 35 CA SER A 3 -1.536 -4.079 -0.394 1.00 0.00 C ATOM 36 C SER A 3 -1.875 -5.284 -1.293 1.00 0.00 C ATOM 37 O SER A 3 -2.420 -6.289 -0.817 1.00 0.00 O ATOM 38 CB SER A 3 -2.567 -2.948 -0.610 1.00 0.00 C ATOM 39 OG SER A 3 -2.272 -1.829 0.208 1.00 0.00 O ATOM 0 H SER A 3 -0.173 -2.604 -1.008 1.00 0.00 H new ATOM 0 HA SER A 3 -1.574 -4.425 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.568 -2.647 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.568 -3.315 -0.383 1.00 0.00 H new ATOM 0 HG SER A 3 -2.937 -1.126 0.053 1.00 0.00 H new ATOM 45 N GLU A 4 -1.498 -5.184 -2.585 1.00 0.00 N ATOM 46 CA GLU A 4 -1.795 -6.218 -3.604 1.00 0.00 C ATOM 47 C GLU A 4 -0.999 -7.513 -3.373 1.00 0.00 C ATOM 48 O GLU A 4 -1.293 -8.539 -3.989 1.00 0.00 O ATOM 49 CB GLU A 4 -1.539 -5.704 -5.050 1.00 0.00 C ATOM 50 CG GLU A 4 -0.071 -5.355 -5.393 1.00 0.00 C ATOM 51 CD GLU A 4 0.402 -4.026 -4.789 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.048 -2.964 -5.337 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.109 -4.038 -3.764 1.00 0.00 O ATOM 0 H GLU A 4 -0.980 -4.386 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.856 -6.441 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.885 -6.463 -5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.151 -4.817 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.577 -6.157 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.040 -5.312 -6.477 1.00 0.00 H new ATOM 60 N ILE A 5 0.023 -7.445 -2.507 1.00 0.00 N ATOM 61 CA ILE A 5 0.873 -8.602 -2.179 1.00 0.00 C ATOM 62 C ILE A 5 0.221 -9.434 -1.062 1.00 0.00 C ATOM 63 O ILE A 5 0.364 -10.651 -1.036 1.00 0.00 O ATOM 64 CB ILE A 5 2.322 -8.146 -1.762 1.00 0.00 C ATOM 65 CG1 ILE A 5 2.913 -7.106 -2.778 1.00 0.00 C ATOM 66 CG2 ILE A 5 3.276 -9.353 -1.591 1.00 0.00 C ATOM 67 CD1 ILE A 5 3.026 -7.570 -4.225 1.00 0.00 C ATOM 0 H ILE A 5 0.284 -6.590 -2.015 1.00 0.00 H new ATOM 0 HA ILE A 5 0.967 -9.222 -3.071 1.00 0.00 H new ATOM 0 HB ILE A 5 2.234 -7.655 -0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.292 -6.211 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.905 -6.815 -2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.265 -8.997 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.889 -10.016 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.346 -9.898 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.447 -6.769 -4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.675 -8.444 -4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.037 -7.830 -4.602 1.00 0.00 H new ATOM 79 N GLU A 6 -0.514 -8.767 -0.154 1.00 0.00 N ATOM 80 CA GLU A 6 -1.264 -9.450 0.931 1.00 0.00 C ATOM 81 C GLU A 6 -2.683 -9.870 0.494 1.00 0.00 C ATOM 82 O GLU A 6 -3.356 -10.602 1.233 1.00 0.00 O ATOM 83 CB GLU A 6 -1.319 -8.576 2.211 1.00 0.00 C ATOM 84 CG GLU A 6 0.052 -8.345 2.870 1.00 0.00 C ATOM 85 CD GLU A 6 -0.016 -7.536 4.178 1.00 0.00 C ATOM 86 OE1 GLU A 6 -0.542 -6.405 4.154 1.00 0.00 O ATOM 87 OE2 GLU A 6 0.429 -8.034 5.240 1.00 0.00 O ATOM 0 H GLU A 6 -0.609 -7.751 -0.145 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.716 -10.364 1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.758 -7.610 1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.983 -9.050 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.514 -9.311 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.701 -7.825 2.165 1.00 0.00 H new ATOM 94 N LEU A 7 -3.137 -9.404 -0.687 1.00 0.00 N ATOM 95 CA LEU A 7 -4.436 -9.827 -1.254 1.00 0.00 C ATOM 96 C LEU A 7 -4.463 -11.359 -1.520 1.00 0.00 C ATOM 97 O LEU A 7 -5.413 -12.012 -1.085 1.00 0.00 O ATOM 98 CB LEU A 7 -4.820 -9.049 -2.546 1.00 0.00 C ATOM 99 CG LEU A 7 -5.150 -7.540 -2.382 1.00 0.00 C ATOM 100 CD1 LEU A 7 -5.573 -6.916 -3.734 1.00 0.00 C ATOM 101 CD2 LEU A 7 -6.220 -7.312 -1.291 1.00 0.00 C ATOM 0 H LEU A 7 -2.626 -8.737 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.185 -9.584 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.998 -9.142 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.684 -9.539 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.243 -7.033 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.799 -5.859 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.760 -7.020 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.458 -7.429 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.427 -6.246 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.135 -7.838 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.853 -7.691 -0.337 1.00 0.00 H new ATOM 113 N PRO A 8 -3.439 -11.979 -2.225 1.00 0.00 N ATOM 114 CA PRO A 8 -3.363 -13.449 -2.334 1.00 0.00 C ATOM 115 C PRO A 8 -3.264 -14.108 -0.946 1.00 0.00 C ATOM 116 O PRO A 8 -4.078 -14.960 -0.617 1.00 0.00 O ATOM 117 CB PRO A 8 -2.097 -13.720 -3.210 1.00 0.00 C ATOM 118 CG PRO A 8 -1.316 -12.445 -3.177 1.00 0.00 C ATOM 119 CD PRO A 8 -2.336 -11.338 -3.000 1.00 0.00 C ATOM 0 HA PRO A 8 -4.258 -13.878 -2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.513 -14.550 -2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.374 -13.986 -4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.597 -12.448 -2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.749 -12.310 -4.098 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.913 -10.489 -2.463 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.689 -10.964 -3.961 1.00 0.00 H new ATOM 127 N VAL A 9 -2.309 -13.616 -0.133 1.00 0.00 N ATOM 128 CA VAL A 9 -1.948 -14.190 1.197 1.00 0.00 C ATOM 129 C VAL A 9 -3.171 -14.415 2.109 1.00 0.00 C ATOM 130 O VAL A 9 -3.398 -15.527 2.620 1.00 0.00 O ATOM 131 CB VAL A 9 -0.929 -13.243 1.921 1.00 0.00 C ATOM 132 CG1 VAL A 9 -0.512 -13.780 3.313 1.00 0.00 C ATOM 133 CG2 VAL A 9 0.292 -12.997 1.017 1.00 0.00 C ATOM 0 H VAL A 9 -1.753 -12.796 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.502 -15.166 1.009 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.426 -12.290 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.194 -13.089 3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.394 -13.873 3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.042 -14.757 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.995 -12.338 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.779 -13.947 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.032 -12.531 0.086 1.00 0.00 H new ATOM 143 N GLN A 10 -3.950 -13.347 2.282 1.00 0.00 N ATOM 144 CA GLN A 10 -5.137 -13.339 3.152 1.00 0.00 C ATOM 145 C GLN A 10 -6.191 -14.355 2.662 1.00 0.00 C ATOM 146 O GLN A 10 -6.692 -15.166 3.447 1.00 0.00 O ATOM 147 CB GLN A 10 -5.733 -11.907 3.219 1.00 0.00 C ATOM 148 CG GLN A 10 -6.972 -11.739 4.130 1.00 0.00 C ATOM 149 CD GLN A 10 -6.727 -12.169 5.584 1.00 0.00 C ATOM 150 OE1 GLN A 10 -6.272 -11.376 6.409 1.00 0.00 O ATOM 151 NE2 GLN A 10 -7.036 -13.422 5.906 1.00 0.00 N ATOM 0 H GLN A 10 -3.778 -12.454 1.821 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.835 -13.639 4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.956 -11.225 3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.003 -11.598 2.209 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.284 -10.695 4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.796 -12.324 3.721 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.411 -14.053 5.198 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.898 -13.752 6.861 1.00 0.00 H new ATOM 160 N LYS A 11 -6.468 -14.328 1.349 1.00 0.00 N ATOM 161 CA LYS A 11 -7.508 -15.174 0.722 1.00 0.00 C ATOM 162 C LYS A 11 -7.090 -16.657 0.677 1.00 0.00 C ATOM 163 O LYS A 11 -7.947 -17.540 0.722 1.00 0.00 O ATOM 164 CB LYS A 11 -7.818 -14.660 -0.696 1.00 0.00 C ATOM 165 CG LYS A 11 -8.275 -13.187 -0.754 1.00 0.00 C ATOM 166 CD LYS A 11 -9.617 -12.930 -0.042 1.00 0.00 C ATOM 167 CE LYS A 11 -10.019 -11.447 -0.073 1.00 0.00 C ATOM 168 NZ LYS A 11 -11.282 -11.204 0.657 1.00 0.00 N ATOM 0 H LYS A 11 -5.981 -13.722 0.689 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.407 -15.108 1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.928 -14.776 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.595 -15.286 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.507 -12.559 -0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.362 -12.883 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.397 -13.526 -0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.546 -13.263 0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.224 -10.846 0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.129 -11.122 -1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.519 -10.192 0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.047 -11.758 0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.169 -11.490 1.650 1.00 0.00 H new ATOM 182 N GLN A 12 -5.768 -16.903 0.592 1.00 0.00 N ATOM 183 CA GLN A 12 -5.186 -18.261 0.622 1.00 0.00 C ATOM 184 C GLN A 12 -5.499 -18.929 1.963 1.00 0.00 C ATOM 185 O GLN A 12 -5.958 -20.064 2.008 1.00 0.00 O ATOM 186 CB GLN A 12 -3.642 -18.218 0.454 1.00 0.00 C ATOM 187 CG GLN A 12 -3.129 -17.918 -0.958 1.00 0.00 C ATOM 188 CD GLN A 12 -1.625 -17.658 -0.959 1.00 0.00 C ATOM 189 OE1 GLN A 12 -1.179 -16.519 -0.893 1.00 0.00 O ATOM 190 NE2 GLN A 12 -0.833 -18.715 -0.951 1.00 0.00 N ATOM 0 H GLN A 12 -5.071 -16.164 0.500 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.622 -18.824 -0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.243 -17.463 1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.235 -19.178 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.355 -18.758 -1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.651 -17.049 -1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.232 -19.652 -1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.178 -18.594 -0.889 1.00 0.00 H new ATOM 199 N LEU A 13 -5.218 -18.179 3.041 1.00 0.00 N ATOM 200 CA LEU A 13 -5.401 -18.621 4.434 1.00 0.00 C ATOM 201 C LEU A 13 -6.859 -19.031 4.708 1.00 0.00 C ATOM 202 O LEU A 13 -7.121 -20.128 5.225 1.00 0.00 O ATOM 203 CB LEU A 13 -4.966 -17.480 5.397 1.00 0.00 C ATOM 204 CG LEU A 13 -5.369 -17.667 6.889 1.00 0.00 C ATOM 205 CD1 LEU A 13 -4.715 -18.919 7.516 1.00 0.00 C ATOM 206 CD2 LEU A 13 -5.121 -16.382 7.699 1.00 0.00 C ATOM 0 H LEU A 13 -4.850 -17.230 2.968 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.779 -19.500 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.882 -17.377 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.394 -16.544 5.039 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.443 -17.852 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.025 -19.009 8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.028 -19.807 6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.630 -18.826 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.412 -16.544 8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.063 -16.123 7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.712 -15.568 7.279 1.00 0.00 H new ATOM 218 N GLU A 14 -7.788 -18.126 4.364 1.00 0.00 N ATOM 219 CA GLU A 14 -9.236 -18.349 4.550 1.00 0.00 C ATOM 220 C GLU A 14 -9.686 -19.608 3.789 1.00 0.00 C ATOM 221 O GLU A 14 -10.423 -20.439 4.317 1.00 0.00 O ATOM 222 CB GLU A 14 -10.039 -17.104 4.082 1.00 0.00 C ATOM 223 CG GLU A 14 -9.594 -15.767 4.718 1.00 0.00 C ATOM 224 CD GLU A 14 -9.567 -15.777 6.258 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.631 -15.590 6.882 1.00 0.00 O ATOM 226 OE2 GLU A 14 -8.482 -15.964 6.852 1.00 0.00 O ATOM 0 H GLU A 14 -7.561 -17.222 3.950 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.433 -18.503 5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.954 -17.021 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.093 -17.264 4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.599 -15.516 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.266 -14.977 4.383 1.00 0.00 H new ATOM 233 N ALA A 15 -9.156 -19.745 2.568 1.00 0.00 N ATOM 234 CA ALA A 15 -9.442 -20.868 1.666 1.00 0.00 C ATOM 235 C ALA A 15 -8.798 -22.187 2.151 1.00 0.00 C ATOM 236 O ALA A 15 -9.315 -23.274 1.878 1.00 0.00 O ATOM 237 CB ALA A 15 -8.932 -20.508 0.270 1.00 0.00 C ATOM 0 H ALA A 15 -8.505 -19.067 2.172 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.519 -21.035 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.136 -21.331 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.438 -19.609 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.858 -20.327 0.311 1.00 0.00 H new ATOM 243 N TYR A 16 -7.673 -22.064 2.880 1.00 0.00 N ATOM 244 CA TYR A 16 -6.857 -23.209 3.341 1.00 0.00 C ATOM 245 C TYR A 16 -7.621 -24.025 4.403 1.00 0.00 C ATOM 246 O TYR A 16 -7.614 -25.264 4.383 1.00 0.00 O ATOM 247 CB TYR A 16 -5.511 -22.675 3.898 1.00 0.00 C ATOM 248 CG TYR A 16 -4.480 -23.739 4.307 1.00 0.00 C ATOM 249 CD1 TYR A 16 -3.817 -24.502 3.344 1.00 0.00 C ATOM 250 CD2 TYR A 16 -4.156 -23.964 5.648 1.00 0.00 C ATOM 251 CE1 TYR A 16 -2.877 -25.447 3.696 1.00 0.00 C ATOM 252 CE2 TYR A 16 -3.214 -24.906 6.004 1.00 0.00 C ATOM 253 CZ TYR A 16 -2.574 -25.645 5.024 1.00 0.00 C ATOM 254 OH TYR A 16 -1.630 -26.593 5.373 1.00 0.00 O ATOM 0 H TYR A 16 -7.299 -21.160 3.169 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.653 -23.878 2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.059 -22.031 3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.722 -22.050 4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.046 -24.348 2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.651 -23.391 6.418 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.381 -26.029 2.934 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.976 -25.067 7.045 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.774 -26.151 5.554 1.00 0.00 H new ATOM 264 N ASN A 17 -8.295 -23.302 5.311 1.00 0.00 N ATOM 265 CA ASN A 17 -9.115 -23.909 6.380 1.00 0.00 C ATOM 266 C ASN A 17 -10.517 -24.257 5.857 1.00 0.00 C ATOM 267 O ASN A 17 -11.137 -25.220 6.315 1.00 0.00 O ATOM 268 CB ASN A 17 -9.231 -22.940 7.585 1.00 0.00 C ATOM 269 CG ASN A 17 -7.883 -22.647 8.242 1.00 0.00 C ATOM 270 OD1 ASN A 17 -7.455 -23.355 9.145 1.00 0.00 O ATOM 271 ND2 ASN A 17 -7.210 -21.603 7.786 1.00 0.00 N ATOM 0 H ASN A 17 -8.289 -22.282 5.328 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.625 -24.827 6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.678 -22.004 7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.906 -23.369 8.326 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.303 -21.365 8.188 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.598 -21.036 7.032 1.00 0.00 H new ATOM 278 N ALA A 18 -10.994 -23.479 4.865 1.00 0.00 N ATOM 279 CA ALA A 18 -12.367 -23.616 4.315 1.00 0.00 C ATOM 280 C ALA A 18 -12.437 -24.624 3.148 1.00 0.00 C ATOM 281 O ALA A 18 -13.497 -24.799 2.535 1.00 0.00 O ATOM 282 CB ALA A 18 -12.892 -22.244 3.879 1.00 0.00 C ATOM 0 H ALA A 18 -10.446 -22.741 4.422 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.002 -24.012 5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.899 -22.351 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.914 -21.573 4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.237 -21.831 3.112 1.00 0.00 H new ATOM 288 N ARG A 19 -11.283 -25.254 2.845 1.00 0.00 N ATOM 289 CA ARG A 19 -11.133 -26.309 1.817 1.00 0.00 C ATOM 290 C ARG A 19 -11.282 -25.781 0.369 1.00 0.00 C ATOM 291 O ARG A 19 -11.269 -26.576 -0.584 1.00 0.00 O ATOM 292 CB ARG A 19 -12.073 -27.533 2.059 1.00 0.00 C ATOM 293 CG ARG A 19 -11.922 -28.216 3.437 1.00 0.00 C ATOM 294 CD ARG A 19 -10.464 -28.574 3.783 1.00 0.00 C ATOM 295 NE ARG A 19 -10.385 -29.297 5.060 1.00 0.00 N ATOM 296 CZ ARG A 19 -9.755 -28.874 6.155 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.082 -27.722 6.168 1.00 0.00 N ATOM 298 NH2 ARG A 19 -9.812 -29.607 7.249 1.00 0.00 N ATOM 0 H ARG A 19 -10.406 -25.039 3.320 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.106 -26.656 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.106 -27.205 1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.886 -28.274 1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -12.319 -27.555 4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.525 -29.124 3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.038 -29.186 2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.866 -27.664 3.839 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.853 -30.202 5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.042 -27.145 5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.607 -27.418 7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.333 -30.484 7.249 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.335 -29.297 8.096 1.00 0.00 H new ATOM 312 N ASP A 20 -11.355 -24.448 0.205 1.00 0.00 N ATOM 313 CA ASP A 20 -11.480 -23.819 -1.116 1.00 0.00 C ATOM 314 C ASP A 20 -10.125 -23.812 -1.835 1.00 0.00 C ATOM 315 O ASP A 20 -9.305 -22.922 -1.637 1.00 0.00 O ATOM 316 CB ASP A 20 -12.040 -22.374 -1.007 1.00 0.00 C ATOM 317 CG ASP A 20 -13.493 -22.323 -0.520 1.00 0.00 C ATOM 318 OD1 ASP A 20 -14.410 -22.572 -1.337 1.00 0.00 O ATOM 319 OD2 ASP A 20 -13.732 -22.038 0.671 1.00 0.00 O ATOM 0 H ASP A 20 -11.329 -23.784 0.979 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.188 -24.408 -1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.414 -21.800 -0.324 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.973 -21.891 -1.982 1.00 0.00 H new ATOM 324 N ILE A 21 -9.902 -24.829 -2.665 1.00 0.00 N ATOM 325 CA ILE A 21 -8.790 -24.856 -3.622 1.00 0.00 C ATOM 326 C ILE A 21 -9.017 -23.782 -4.718 1.00 0.00 C ATOM 327 O ILE A 21 -8.062 -23.289 -5.318 1.00 0.00 O ATOM 328 CB ILE A 21 -8.636 -26.313 -4.217 1.00 0.00 C ATOM 329 CG1 ILE A 21 -8.030 -27.278 -3.147 1.00 0.00 C ATOM 330 CG2 ILE A 21 -7.810 -26.343 -5.520 1.00 0.00 C ATOM 331 CD1 ILE A 21 -6.563 -27.021 -2.821 1.00 0.00 C ATOM 0 H ILE A 21 -10.489 -25.663 -2.695 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.853 -24.611 -3.122 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.636 -26.658 -4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.613 -27.195 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.136 -28.304 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.738 -27.369 -5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.298 -25.726 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.810 -25.956 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.226 -27.736 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.964 -27.135 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.448 -26.008 -2.435 1.00 0.00 H new ATOM 343 N ASP A 22 -10.298 -23.404 -4.916 1.00 0.00 N ATOM 344 CA ASP A 22 -10.714 -22.356 -5.873 1.00 0.00 C ATOM 345 C ASP A 22 -9.978 -21.021 -5.632 1.00 0.00 C ATOM 346 O ASP A 22 -9.393 -20.467 -6.558 1.00 0.00 O ATOM 347 CB ASP A 22 -12.247 -22.149 -5.747 1.00 0.00 C ATOM 348 CG ASP A 22 -12.822 -21.046 -6.664 1.00 0.00 C ATOM 349 OD1 ASP A 22 -13.073 -21.319 -7.859 1.00 0.00 O ATOM 350 OD2 ASP A 22 -13.025 -19.904 -6.193 1.00 0.00 O ATOM 0 H ASP A 22 -11.080 -23.822 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.453 -22.685 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.748 -23.090 -5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.484 -21.903 -4.712 1.00 0.00 H new ATOM 355 N ALA A 23 -9.982 -20.548 -4.375 1.00 0.00 N ATOM 356 CA ALA A 23 -9.269 -19.308 -3.980 1.00 0.00 C ATOM 357 C ALA A 23 -7.787 -19.600 -3.723 1.00 0.00 C ATOM 358 O ALA A 23 -6.909 -18.813 -4.089 1.00 0.00 O ATOM 359 CB ALA A 23 -9.931 -18.670 -2.749 1.00 0.00 C ATOM 0 H ALA A 23 -10.473 -21.004 -3.606 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.334 -18.594 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.393 -17.762 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.967 -18.422 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.904 -19.372 -1.916 1.00 0.00 H new ATOM 365 N PHE A 24 -7.516 -20.782 -3.138 1.00 0.00 N ATOM 366 CA PHE A 24 -6.147 -21.227 -2.809 1.00 0.00 C ATOM 367 C PHE A 24 -5.300 -21.461 -4.089 1.00 0.00 C ATOM 368 O PHE A 24 -4.107 -21.747 -4.003 1.00 0.00 O ATOM 369 CB PHE A 24 -6.195 -22.495 -1.911 1.00 0.00 C ATOM 370 CG PHE A 24 -4.871 -22.837 -1.228 1.00 0.00 C ATOM 371 CD1 PHE A 24 -4.422 -22.087 -0.142 1.00 0.00 C ATOM 372 CD2 PHE A 24 -4.060 -23.877 -1.685 1.00 0.00 C ATOM 373 CE1 PHE A 24 -3.216 -22.366 0.468 1.00 0.00 C ATOM 374 CE2 PHE A 24 -2.850 -24.150 -1.077 1.00 0.00 C ATOM 375 CZ PHE A 24 -2.427 -23.397 -0.001 1.00 0.00 C ATOM 0 H PHE A 24 -8.238 -21.455 -2.880 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.654 -20.433 -2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.959 -22.355 -1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.506 -23.344 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.028 -21.274 0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.382 -24.476 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.889 -21.778 1.313 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.233 -24.956 -1.445 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.481 -23.614 0.473 1.00 0.00 H new ATOM 385 N MET A 25 -5.935 -21.394 -5.279 1.00 0.00 N ATOM 386 CA MET A 25 -5.219 -21.436 -6.570 1.00 0.00 C ATOM 387 C MET A 25 -5.418 -20.142 -7.391 1.00 0.00 C ATOM 388 O MET A 25 -4.517 -19.749 -8.144 1.00 0.00 O ATOM 389 CB MET A 25 -5.657 -22.663 -7.405 1.00 0.00 C ATOM 390 CG MET A 25 -4.801 -22.925 -8.662 1.00 0.00 C ATOM 391 SD MET A 25 -3.376 -24.010 -8.373 1.00 0.00 S ATOM 392 CE MET A 25 -2.346 -23.151 -7.174 1.00 0.00 C ATOM 0 H MET A 25 -6.947 -21.310 -5.371 1.00 0.00 H new ATOM 0 HA MET A 25 -4.158 -21.522 -6.337 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.626 -23.548 -6.770 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.694 -22.526 -7.710 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.432 -23.369 -9.432 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.445 -21.971 -9.052 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.296 -23.363 -7.378 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.521 -22.078 -7.247 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.596 -23.492 -6.169 1.00 0.00 H new ATOM 402 N ALA A 26 -6.589 -19.482 -7.241 1.00 0.00 N ATOM 403 CA ALA A 26 -6.956 -18.285 -8.048 1.00 0.00 C ATOM 404 C ALA A 26 -5.961 -17.129 -7.864 1.00 0.00 C ATOM 405 O ALA A 26 -5.732 -16.334 -8.778 1.00 0.00 O ATOM 406 CB ALA A 26 -8.371 -17.798 -7.695 1.00 0.00 C ATOM 0 H ALA A 26 -7.303 -19.757 -6.566 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.925 -18.596 -9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.616 -16.923 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.090 -18.591 -7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.412 -17.534 -6.638 1.00 0.00 H new ATOM 412 N TRP A 27 -5.375 -17.058 -6.666 1.00 0.00 N ATOM 413 CA TRP A 27 -4.460 -15.984 -6.274 1.00 0.00 C ATOM 414 C TRP A 27 -2.977 -16.334 -6.546 1.00 0.00 C ATOM 415 O TRP A 27 -2.065 -15.602 -6.131 1.00 0.00 O ATOM 416 CB TRP A 27 -4.705 -15.663 -4.789 1.00 0.00 C ATOM 417 CG TRP A 27 -6.073 -15.072 -4.519 1.00 0.00 C ATOM 418 CD1 TRP A 27 -7.192 -15.736 -4.114 1.00 0.00 C ATOM 419 CD2 TRP A 27 -6.462 -13.693 -4.658 1.00 0.00 C ATOM 420 NE1 TRP A 27 -8.233 -14.873 -3.979 1.00 0.00 N ATOM 421 CE2 TRP A 27 -7.821 -13.613 -4.324 1.00 0.00 C ATOM 422 CE3 TRP A 27 -5.795 -12.526 -5.041 1.00 0.00 C ATOM 423 CZ2 TRP A 27 -8.526 -12.408 -4.345 1.00 0.00 C ATOM 424 CZ3 TRP A 27 -6.489 -11.333 -5.064 1.00 0.00 C ATOM 425 CH2 TRP A 27 -7.848 -11.281 -4.723 1.00 0.00 C ATOM 0 H TRP A 27 -5.524 -17.752 -5.934 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.664 -15.105 -6.885 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.590 -16.575 -4.204 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.942 -14.965 -4.445 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.244 -16.798 -3.927 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.172 -15.124 -3.670 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.751 -12.557 -5.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.570 -12.367 -4.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.977 -10.426 -5.349 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -8.369 -10.335 -4.759 1.00 0.00 H new ATOM 436 N TRP A 28 -2.752 -17.441 -7.261 1.00 0.00 N ATOM 437 CA TRP A 28 -1.413 -17.903 -7.677 1.00 0.00 C ATOM 438 C TRP A 28 -1.280 -17.739 -9.207 1.00 0.00 C ATOM 439 O TRP A 28 -2.284 -17.548 -9.907 1.00 0.00 O ATOM 440 CB TRP A 28 -1.215 -19.395 -7.279 1.00 0.00 C ATOM 441 CG TRP A 28 -1.336 -19.710 -5.787 1.00 0.00 C ATOM 442 CD1 TRP A 28 -2.359 -19.368 -4.936 1.00 0.00 C ATOM 443 CD2 TRP A 28 -0.423 -20.493 -4.992 1.00 0.00 C ATOM 444 NE1 TRP A 28 -2.118 -19.868 -3.683 1.00 0.00 N ATOM 445 CE2 TRP A 28 -0.942 -20.559 -3.691 1.00 0.00 C ATOM 446 CE3 TRP A 28 0.789 -21.128 -5.257 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -0.302 -21.250 -2.662 1.00 0.00 C ATOM 448 CZ3 TRP A 28 1.424 -21.812 -4.236 1.00 0.00 C ATOM 449 CH2 TRP A 28 0.880 -21.863 -2.950 1.00 0.00 C ATOM 0 H TRP A 28 -3.504 -18.055 -7.575 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.648 -17.308 -7.177 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.948 -19.995 -7.818 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.230 -19.714 -7.619 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.227 -18.789 -5.214 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.723 -19.743 -2.872 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.226 -21.087 -6.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.729 -21.297 -1.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.358 -22.316 -4.437 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.405 -22.397 -2.172 1.00 0.00 H new ATOM 460 N ALA A 29 -0.037 -17.805 -9.719 1.00 0.00 N ATOM 461 CA ALA A 29 0.236 -17.753 -11.173 1.00 0.00 C ATOM 462 C ALA A 29 0.051 -19.145 -11.796 1.00 0.00 C ATOM 463 O ALA A 29 0.216 -20.151 -11.108 1.00 0.00 O ATOM 464 CB ALA A 29 1.659 -17.224 -11.447 1.00 0.00 C ATOM 0 H ALA A 29 0.801 -17.895 -9.145 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.474 -17.065 -11.632 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.836 -17.195 -12.522 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.759 -16.220 -11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.389 -17.883 -10.977 1.00 0.00 H new ATOM 470 N ASP A 30 -0.274 -19.191 -13.101 1.00 0.00 N ATOM 471 CA ASP A 30 -0.466 -20.464 -13.842 1.00 0.00 C ATOM 472 C ASP A 30 0.853 -21.270 -13.932 1.00 0.00 C ATOM 473 O ASP A 30 0.839 -22.500 -14.011 1.00 0.00 O ATOM 474 CB ASP A 30 -1.033 -20.181 -15.261 1.00 0.00 C ATOM 475 CG ASP A 30 -1.256 -21.459 -16.105 1.00 0.00 C ATOM 476 OD1 ASP A 30 -2.190 -22.232 -15.798 1.00 0.00 O ATOM 477 OD2 ASP A 30 -0.489 -21.700 -17.068 1.00 0.00 O ATOM 0 H ASP A 30 -0.411 -18.358 -13.673 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.185 -21.069 -13.291 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.980 -19.649 -15.166 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.348 -19.520 -15.792 1.00 0.00 H new ATOM 482 N ASP A 31 1.987 -20.552 -13.898 1.00 0.00 N ATOM 483 CA ASP A 31 3.340 -21.145 -13.954 1.00 0.00 C ATOM 484 C ASP A 31 4.018 -21.097 -12.559 1.00 0.00 C ATOM 485 O ASP A 31 5.247 -21.190 -12.444 1.00 0.00 O ATOM 486 CB ASP A 31 4.172 -20.402 -15.039 1.00 0.00 C ATOM 487 CG ASP A 31 5.564 -21.016 -15.297 1.00 0.00 C ATOM 488 OD1 ASP A 31 5.636 -22.177 -15.757 1.00 0.00 O ATOM 489 OD2 ASP A 31 6.586 -20.335 -15.059 1.00 0.00 O ATOM 0 H ASP A 31 1.994 -19.534 -13.830 1.00 0.00 H new ATOM 0 HA ASP A 31 3.275 -22.197 -14.231 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.610 -20.398 -15.973 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.296 -19.362 -14.737 1.00 0.00 H new ATOM 494 N CYS A 32 3.202 -20.959 -11.490 1.00 0.00 N ATOM 495 CA CYS A 32 3.715 -20.861 -10.110 1.00 0.00 C ATOM 496 C CYS A 32 4.568 -22.089 -9.733 1.00 0.00 C ATOM 497 O CYS A 32 4.067 -23.214 -9.677 1.00 0.00 O ATOM 498 CB CYS A 32 2.574 -20.686 -9.091 1.00 0.00 C ATOM 499 SG CYS A 32 3.152 -20.469 -7.392 1.00 0.00 S ATOM 0 H CYS A 32 2.185 -20.913 -11.559 1.00 0.00 H new ATOM 0 HA CYS A 32 4.349 -19.975 -10.076 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.973 -19.822 -9.375 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.921 -21.557 -9.136 1.00 0.00 H new ATOM 0 HG CYS A 32 2.425 -21.190 -6.591 1.00 0.00 H new ATOM 505 N GLN A 33 5.872 -21.852 -9.535 1.00 0.00 N ATOM 506 CA GLN A 33 6.819 -22.873 -9.065 1.00 0.00 C ATOM 507 C GLN A 33 6.571 -23.115 -7.566 1.00 0.00 C ATOM 508 O GLN A 33 6.111 -22.210 -6.863 1.00 0.00 O ATOM 509 CB GLN A 33 8.271 -22.390 -9.320 1.00 0.00 C ATOM 510 CG GLN A 33 8.540 -21.933 -10.772 1.00 0.00 C ATOM 511 CD GLN A 33 8.522 -23.057 -11.811 1.00 0.00 C ATOM 512 OE1 GLN A 33 9.534 -23.709 -12.061 1.00 0.00 O ATOM 513 NE2 GLN A 33 7.381 -23.270 -12.443 1.00 0.00 N ATOM 0 H GLN A 33 6.302 -20.941 -9.697 1.00 0.00 H new ATOM 0 HA GLN A 33 6.675 -23.809 -9.605 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.491 -21.564 -8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.960 -23.197 -9.071 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.793 -21.189 -11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.511 -21.438 -10.809 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.559 -22.712 -12.213 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.323 -23.992 -13.161 1.00 0.00 H new ATOM 522 N TYR A 34 6.861 -24.328 -7.088 1.00 0.00 N ATOM 523 CA TYR A 34 6.557 -24.727 -5.707 1.00 0.00 C ATOM 524 C TYR A 34 7.645 -25.672 -5.186 1.00 0.00 C ATOM 525 O TYR A 34 7.820 -26.766 -5.714 1.00 0.00 O ATOM 526 CB TYR A 34 5.160 -25.395 -5.650 1.00 0.00 C ATOM 527 CG TYR A 34 4.613 -25.645 -4.237 1.00 0.00 C ATOM 528 CD1 TYR A 34 3.984 -24.621 -3.522 1.00 0.00 C ATOM 529 CD2 TYR A 34 4.711 -26.897 -3.628 1.00 0.00 C ATOM 530 CE1 TYR A 34 3.479 -24.837 -2.256 1.00 0.00 C ATOM 531 CE2 TYR A 34 4.207 -27.117 -2.360 1.00 0.00 C ATOM 532 CZ TYR A 34 3.593 -26.086 -1.679 1.00 0.00 C ATOM 533 OH TYR A 34 3.079 -26.307 -0.415 1.00 0.00 O ATOM 0 H TYR A 34 7.310 -25.058 -7.641 1.00 0.00 H new ATOM 0 HA TYR A 34 6.540 -23.845 -5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.452 -24.767 -6.191 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.208 -26.348 -6.178 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.892 -23.642 -3.969 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.189 -27.708 -4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.997 -24.033 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.293 -28.092 -1.904 1.00 0.00 H new ATOM 0 HH TYR A 34 2.132 -26.549 -0.485 1.00 0.00 H new ATOM 543 N TYR A 35 8.372 -25.212 -4.157 1.00 0.00 N ATOM 544 CA TYR A 35 9.477 -25.938 -3.516 1.00 0.00 C ATOM 545 C TYR A 35 9.130 -26.281 -2.066 1.00 0.00 C ATOM 546 O TYR A 35 8.289 -25.627 -1.435 1.00 0.00 O ATOM 547 CB TYR A 35 10.785 -25.105 -3.531 1.00 0.00 C ATOM 548 CG TYR A 35 11.351 -24.780 -4.922 1.00 0.00 C ATOM 549 CD1 TYR A 35 10.686 -23.906 -5.788 1.00 0.00 C ATOM 550 CD2 TYR A 35 12.556 -25.334 -5.358 1.00 0.00 C ATOM 551 CE1 TYR A 35 11.199 -23.595 -7.027 1.00 0.00 C ATOM 552 CE2 TYR A 35 13.075 -25.025 -6.596 1.00 0.00 C ATOM 553 CZ TYR A 35 12.394 -24.158 -7.431 1.00 0.00 C ATOM 554 OH TYR A 35 12.910 -23.853 -8.674 1.00 0.00 O ATOM 0 H TYR A 35 8.202 -24.298 -3.736 1.00 0.00 H new ATOM 0 HA TYR A 35 9.631 -26.854 -4.086 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.604 -24.168 -3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.545 -25.646 -2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.750 -23.466 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 35 13.090 -26.016 -4.714 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.671 -22.915 -7.679 1.00 0.00 H new ATOM 0 HE2 TYR A 35 14.012 -25.459 -6.914 1.00 0.00 H new ATOM 0 HH TYR A 35 13.756 -24.331 -8.803 1.00 0.00 H new ATOM 564 N ALA A 36 9.800 -27.321 -1.563 1.00 0.00 N ATOM 565 CA ALA A 36 9.741 -27.741 -0.157 1.00 0.00 C ATOM 566 C ALA A 36 11.147 -27.673 0.459 1.00 0.00 C ATOM 567 O ALA A 36 12.145 -27.761 -0.266 1.00 0.00 O ATOM 568 CB ALA A 36 9.157 -29.160 -0.063 1.00 0.00 C ATOM 0 H ALA A 36 10.411 -27.907 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 36 9.090 -27.070 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.115 -29.468 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.152 -29.168 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.790 -29.851 -0.620 1.00 0.00 H new ATOM 574 N PHE A 37 11.207 -27.515 1.796 1.00 0.00 N ATOM 575 CA PHE A 37 12.474 -27.394 2.553 1.00 0.00 C ATOM 576 C PHE A 37 13.320 -28.697 2.460 1.00 0.00 C ATOM 577 O PHE A 37 12.768 -29.777 2.687 1.00 0.00 O ATOM 578 CB PHE A 37 12.163 -27.065 4.037 1.00 0.00 C ATOM 579 CG PHE A 37 13.393 -26.752 4.896 1.00 0.00 C ATOM 580 CD1 PHE A 37 14.043 -25.523 4.783 1.00 0.00 C ATOM 581 CD2 PHE A 37 13.895 -27.675 5.814 1.00 0.00 C ATOM 582 CE1 PHE A 37 15.152 -25.229 5.554 1.00 0.00 C ATOM 583 CE2 PHE A 37 15.005 -27.380 6.584 1.00 0.00 C ATOM 584 CZ PHE A 37 15.631 -26.156 6.454 1.00 0.00 C ATOM 0 H PHE A 37 10.376 -27.467 2.386 1.00 0.00 H new ATOM 0 HA PHE A 37 13.059 -26.587 2.113 1.00 0.00 H new ATOM 0 HB2 PHE A 37 11.486 -26.211 4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.634 -27.909 4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 37 13.674 -24.789 4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 37 13.410 -28.633 5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 37 15.643 -24.273 5.451 1.00 0.00 H new ATOM 0 HE2 PHE A 37 15.383 -28.107 7.287 1.00 0.00 H new ATOM 0 HZ PHE A 37 16.496 -25.925 7.058 1.00 0.00 H new ATOM 594 N PRO A 38 14.670 -28.641 2.153 1.00 0.00 N ATOM 595 CA PRO A 38 15.432 -27.392 1.849 1.00 0.00 C ATOM 596 C PRO A 38 15.092 -26.765 0.465 1.00 0.00 C ATOM 597 O PRO A 38 14.664 -25.603 0.403 1.00 0.00 O ATOM 598 CB PRO A 38 16.915 -27.848 1.939 1.00 0.00 C ATOM 599 CG PRO A 38 16.889 -29.314 1.635 1.00 0.00 C ATOM 600 CD PRO A 38 15.564 -29.831 2.156 1.00 0.00 C ATOM 0 HA PRO A 38 15.182 -26.589 2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.538 -27.308 1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.327 -27.658 2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.981 -29.491 0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.723 -29.826 2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.170 -30.624 1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.667 -30.247 3.158 1.00 0.00 H new ATOM 608 N ALA A 39 15.247 -27.539 -0.625 1.00 0.00 N ATOM 609 CA ALA A 39 14.956 -27.068 -1.991 1.00 0.00 C ATOM 610 C ALA A 39 14.609 -28.266 -2.888 1.00 0.00 C ATOM 611 O ALA A 39 15.503 -28.932 -3.424 1.00 0.00 O ATOM 612 CB ALA A 39 16.141 -26.256 -2.558 1.00 0.00 C ATOM 0 H ALA A 39 15.576 -28.504 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 39 14.095 -26.400 -1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.902 -25.920 -3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.327 -25.391 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 39 17.032 -26.884 -2.586 1.00 0.00 H new ATOM 618 N THR A 40 13.305 -28.568 -2.989 1.00 0.00 N ATOM 619 CA THR A 40 12.777 -29.608 -3.887 1.00 0.00 C ATOM 620 C THR A 40 11.533 -29.079 -4.606 1.00 0.00 C ATOM 621 O THR A 40 10.488 -28.899 -3.971 1.00 0.00 O ATOM 622 CB THR A 40 12.421 -30.923 -3.112 1.00 0.00 C ATOM 623 OG1 THR A 40 13.595 -31.431 -2.470 1.00 0.00 O ATOM 624 CG2 THR A 40 11.842 -32.012 -4.036 1.00 0.00 C ATOM 0 H THR A 40 12.583 -28.095 -2.447 1.00 0.00 H new ATOM 0 HA THR A 40 13.554 -29.851 -4.612 1.00 0.00 H new ATOM 0 HB THR A 40 11.657 -30.670 -2.377 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.373 -32.252 -1.984 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.612 -32.902 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.931 -31.643 -4.507 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.573 -32.263 -4.805 1.00 0.00 H new ATOM 632 N LEU A 41 11.658 -28.820 -5.919 1.00 0.00 N ATOM 633 CA LEU A 41 10.534 -28.373 -6.750 1.00 0.00 C ATOM 634 C LEU A 41 9.538 -29.543 -6.897 1.00 0.00 C ATOM 635 O LEU A 41 9.789 -30.503 -7.631 1.00 0.00 O ATOM 636 CB LEU A 41 11.056 -27.831 -8.127 1.00 0.00 C ATOM 637 CG LEU A 41 10.038 -27.026 -9.028 1.00 0.00 C ATOM 638 CD1 LEU A 41 10.768 -26.137 -10.063 1.00 0.00 C ATOM 639 CD2 LEU A 41 9.039 -27.949 -9.756 1.00 0.00 C ATOM 0 H LEU A 41 12.536 -28.915 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 41 10.009 -27.542 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.914 -27.187 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.420 -28.680 -8.706 1.00 0.00 H new ATOM 0 HG LEU A 41 9.477 -26.388 -8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.034 -25.600 -10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.405 -25.422 -9.543 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.380 -26.763 -10.713 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.362 -27.347 -10.361 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.584 -28.640 -10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.464 -28.514 -9.022 1.00 0.00 H new ATOM 651 N LEU A 42 8.433 -29.458 -6.140 1.00 0.00 N ATOM 652 CA LEU A 42 7.348 -30.442 -6.161 1.00 0.00 C ATOM 653 C LEU A 42 6.455 -30.212 -7.391 1.00 0.00 C ATOM 654 O LEU A 42 6.106 -31.151 -8.113 1.00 0.00 O ATOM 655 CB LEU A 42 6.497 -30.320 -4.864 1.00 0.00 C ATOM 656 CG LEU A 42 7.279 -30.349 -3.508 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.325 -30.186 -2.307 1.00 0.00 C ATOM 658 CD2 LEU A 42 8.134 -31.628 -3.372 1.00 0.00 C ATOM 0 H LEU A 42 8.269 -28.691 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 42 7.778 -31.442 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.933 -29.388 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.770 -31.132 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 42 7.961 -29.499 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.899 -30.210 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.802 -29.233 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.599 -30.999 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.662 -31.613 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.487 -32.504 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.857 -31.671 -4.187 1.00 0.00 H new ATOM 670 N ALA A 43 6.111 -28.933 -7.616 1.00 0.00 N ATOM 671 CA ALA A 43 5.129 -28.524 -8.634 1.00 0.00 C ATOM 672 C ALA A 43 5.652 -27.318 -9.432 1.00 0.00 C ATOM 673 O ALA A 43 6.015 -26.302 -8.844 1.00 0.00 O ATOM 674 CB ALA A 43 3.811 -28.192 -7.934 1.00 0.00 C ATOM 0 H ALA A 43 6.508 -28.151 -7.095 1.00 0.00 H new ATOM 0 HA ALA A 43 4.966 -29.337 -9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.072 -27.887 -8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.450 -29.072 -7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.970 -27.380 -7.225 1.00 0.00 H new ATOM 680 N GLY A 44 5.700 -27.449 -10.774 1.00 0.00 N ATOM 681 CA GLY A 44 6.283 -26.419 -11.655 1.00 0.00 C ATOM 682 C GLY A 44 5.237 -25.613 -12.412 1.00 0.00 C ATOM 683 O GLY A 44 5.482 -25.182 -13.541 1.00 0.00 O ATOM 0 H GLY A 44 5.340 -28.263 -11.272 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.891 -25.741 -11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.951 -26.898 -12.371 1.00 0.00 H new ATOM 687 N ASN A 45 4.115 -25.361 -11.734 1.00 0.00 N ATOM 688 CA ASN A 45 2.888 -24.748 -12.297 1.00 0.00 C ATOM 689 C ASN A 45 1.746 -24.910 -11.283 1.00 0.00 C ATOM 690 O ASN A 45 1.791 -25.806 -10.429 1.00 0.00 O ATOM 691 CB ASN A 45 2.449 -25.330 -13.688 1.00 0.00 C ATOM 692 CG ASN A 45 2.006 -26.797 -13.657 1.00 0.00 C ATOM 693 OD1 ASN A 45 0.842 -27.102 -13.408 1.00 0.00 O ATOM 694 ND2 ASN A 45 2.928 -27.709 -13.930 1.00 0.00 N ATOM 0 H ASN A 45 4.022 -25.582 -10.743 1.00 0.00 H new ATOM 0 HA ASN A 45 3.119 -23.698 -12.479 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.630 -24.725 -14.077 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.279 -25.230 -14.387 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.680 -28.698 -13.938 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.885 -27.422 -14.132 1.00 0.00 H new ATOM 701 N ALA A 46 0.718 -24.052 -11.418 1.00 0.00 N ATOM 702 CA ALA A 46 -0.434 -23.998 -10.495 1.00 0.00 C ATOM 703 C ALA A 46 -1.180 -25.347 -10.400 1.00 0.00 C ATOM 704 O ALA A 46 -1.501 -25.810 -9.303 1.00 0.00 O ATOM 705 CB ALA A 46 -1.398 -22.885 -10.931 1.00 0.00 C ATOM 0 H ALA A 46 0.662 -23.371 -12.176 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.045 -23.781 -9.500 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.246 -22.849 -10.247 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.879 -21.927 -10.915 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.755 -23.088 -11.941 1.00 0.00 H new ATOM 711 N ALA A 47 -1.397 -25.988 -11.556 1.00 0.00 N ATOM 712 CA ALA A 47 -2.258 -27.183 -11.662 1.00 0.00 C ATOM 713 C ALA A 47 -1.716 -28.363 -10.833 1.00 0.00 C ATOM 714 O ALA A 47 -2.494 -29.134 -10.267 1.00 0.00 O ATOM 715 CB ALA A 47 -2.437 -27.567 -13.129 1.00 0.00 C ATOM 0 H ALA A 47 -0.985 -25.698 -12.443 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.233 -26.935 -11.243 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.073 -28.449 -13.199 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.902 -26.741 -13.667 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.464 -27.785 -13.569 1.00 0.00 H new ATOM 721 N GLU A 48 -0.379 -28.472 -10.748 1.00 0.00 N ATOM 722 CA GLU A 48 0.290 -29.501 -9.926 1.00 0.00 C ATOM 723 C GLU A 48 0.253 -29.139 -8.419 1.00 0.00 C ATOM 724 O GLU A 48 0.208 -30.034 -7.567 1.00 0.00 O ATOM 725 CB GLU A 48 1.745 -29.707 -10.402 1.00 0.00 C ATOM 726 CG GLU A 48 1.893 -30.127 -11.878 1.00 0.00 C ATOM 727 CD GLU A 48 1.168 -31.443 -12.223 1.00 0.00 C ATOM 728 OE1 GLU A 48 1.637 -32.518 -11.787 1.00 0.00 O ATOM 729 OE2 GLU A 48 0.137 -31.412 -12.928 1.00 0.00 O ATOM 0 H GLU A 48 0.266 -27.856 -11.242 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.256 -30.436 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.297 -28.780 -10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.213 -30.466 -9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.505 -29.331 -12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.952 -30.234 -12.112 1.00 0.00 H new ATOM 736 N ILE A 49 0.274 -27.823 -8.104 1.00 0.00 N ATOM 737 CA ILE A 49 0.218 -27.323 -6.707 1.00 0.00 C ATOM 738 C ILE A 49 -1.136 -27.679 -6.067 1.00 0.00 C ATOM 739 O ILE A 49 -1.183 -28.266 -4.975 1.00 0.00 O ATOM 740 CB ILE A 49 0.423 -25.757 -6.635 1.00 0.00 C ATOM 741 CG1 ILE A 49 1.797 -25.349 -7.231 1.00 0.00 C ATOM 742 CG2 ILE A 49 0.276 -25.212 -5.192 1.00 0.00 C ATOM 743 CD1 ILE A 49 2.057 -23.855 -7.287 1.00 0.00 C ATOM 0 H ILE A 49 0.330 -27.082 -8.803 1.00 0.00 H new ATOM 0 HA ILE A 49 1.029 -27.804 -6.161 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.368 -25.307 -7.236 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.585 -25.817 -6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.872 -25.753 -8.241 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.425 -24.132 -5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.722 -25.440 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.021 -25.680 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.041 -23.673 -7.718 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.296 -23.376 -7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.020 -23.441 -6.279 1.00 0.00 H new ATOM 755 N ARG A 50 -2.222 -27.319 -6.774 1.00 0.00 N ATOM 756 CA ARG A 50 -3.590 -27.442 -6.252 1.00 0.00 C ATOM 757 C ARG A 50 -3.977 -28.905 -6.014 1.00 0.00 C ATOM 758 O ARG A 50 -4.520 -29.206 -4.964 1.00 0.00 O ATOM 759 CB ARG A 50 -4.617 -26.744 -7.180 1.00 0.00 C ATOM 760 CG ARG A 50 -4.696 -27.281 -8.623 1.00 0.00 C ATOM 761 CD ARG A 50 -5.690 -26.495 -9.493 1.00 0.00 C ATOM 762 NE ARG A 50 -5.743 -27.005 -10.876 1.00 0.00 N ATOM 763 CZ ARG A 50 -5.967 -26.261 -11.973 1.00 0.00 C ATOM 764 NH1 ARG A 50 -6.104 -24.945 -11.890 1.00 0.00 N ATOM 765 NH2 ARG A 50 -6.030 -26.846 -13.160 1.00 0.00 N ATOM 0 H ARG A 50 -2.174 -26.937 -7.718 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.609 -26.934 -5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.604 -26.830 -6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.377 -25.682 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.706 -27.236 -9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.989 -28.331 -8.601 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.684 -26.552 -9.048 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.406 -25.443 -9.506 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.598 -28.005 -11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.040 -24.482 -10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.274 -24.396 -12.733 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.909 -27.856 -13.238 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.200 -26.287 -13.996 1.00 0.00 H new ATOM 779 N VAL A 51 -3.642 -29.809 -6.964 1.00 0.00 N ATOM 780 CA VAL A 51 -4.024 -31.241 -6.870 1.00 0.00 C ATOM 781 C VAL A 51 -3.318 -31.942 -5.697 1.00 0.00 C ATOM 782 O VAL A 51 -3.885 -32.842 -5.068 1.00 0.00 O ATOM 783 CB VAL A 51 -3.760 -32.032 -8.204 1.00 0.00 C ATOM 784 CG1 VAL A 51 -4.660 -31.512 -9.349 1.00 0.00 C ATOM 785 CG2 VAL A 51 -2.268 -32.003 -8.618 1.00 0.00 C ATOM 0 H VAL A 51 -3.110 -29.575 -7.802 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.099 -31.248 -6.689 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.019 -33.073 -8.010 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.455 -32.077 -10.258 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.707 -31.635 -9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.453 -30.456 -9.524 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.136 -32.562 -9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.952 -30.971 -8.770 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.663 -32.456 -7.832 1.00 0.00 H new ATOM 795 N ARG A 52 -2.085 -31.503 -5.414 1.00 0.00 N ATOM 796 CA ARG A 52 -1.285 -32.021 -4.297 1.00 0.00 C ATOM 797 C ARG A 52 -1.861 -31.532 -2.957 1.00 0.00 C ATOM 798 O ARG A 52 -1.855 -32.263 -1.960 1.00 0.00 O ATOM 799 CB ARG A 52 0.193 -31.593 -4.475 1.00 0.00 C ATOM 800 CG ARG A 52 1.161 -32.154 -3.410 1.00 0.00 C ATOM 801 CD ARG A 52 2.639 -31.857 -3.722 1.00 0.00 C ATOM 802 NE ARG A 52 3.556 -32.613 -2.835 1.00 0.00 N ATOM 803 CZ ARG A 52 4.604 -33.352 -3.245 1.00 0.00 C ATOM 804 NH1 ARG A 52 4.904 -33.456 -4.539 1.00 0.00 N ATOM 805 NH2 ARG A 52 5.345 -33.992 -2.350 1.00 0.00 N ATOM 0 H ARG A 52 -1.613 -30.777 -5.954 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.325 -33.110 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.533 -31.913 -5.460 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.246 -30.504 -4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.908 -31.730 -2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.022 -33.232 -3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.848 -32.111 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.826 -30.789 -3.611 1.00 0.00 H new ATOM 0 HE ARG A 52 3.378 -32.570 -1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.336 -32.972 -5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.701 -34.020 -4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.119 -33.923 -1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.140 -34.554 -2.654 1.00 0.00 H new ATOM 819 N HIS A 53 -2.375 -30.286 -2.954 1.00 0.00 N ATOM 820 CA HIS A 53 -3.036 -29.706 -1.772 1.00 0.00 C ATOM 821 C HIS A 53 -4.444 -30.285 -1.576 1.00 0.00 C ATOM 822 O HIS A 53 -4.881 -30.378 -0.447 1.00 0.00 O ATOM 823 CB HIS A 53 -3.080 -28.160 -1.847 1.00 0.00 C ATOM 824 CG HIS A 53 -1.768 -27.492 -1.522 1.00 0.00 C ATOM 825 ND1 HIS A 53 -0.984 -26.861 -2.461 1.00 0.00 N ATOM 826 CD2 HIS A 53 -1.124 -27.336 -0.336 1.00 0.00 C ATOM 827 CE1 HIS A 53 0.079 -26.349 -1.871 1.00 0.00 C ATOM 828 NE2 HIS A 53 0.019 -26.623 -0.587 1.00 0.00 N ATOM 0 H HIS A 53 -2.344 -29.662 -3.760 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.438 -29.980 -0.903 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.388 -27.864 -2.850 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.842 -27.795 -1.159 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.192 -26.799 -3.458 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.452 -27.705 0.625 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.867 -25.797 -2.361 1.00 0.00 H new ATOM 837 N ILE A 54 -5.133 -30.696 -2.668 1.00 0.00 N ATOM 838 CA ILE A 54 -6.476 -31.322 -2.586 1.00 0.00 C ATOM 839 C ILE A 54 -6.430 -32.546 -1.651 1.00 0.00 C ATOM 840 O ILE A 54 -7.294 -32.708 -0.795 1.00 0.00 O ATOM 841 CB ILE A 54 -7.015 -31.726 -4.021 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.391 -30.457 -4.851 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.213 -32.702 -3.950 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.751 -30.713 -6.305 1.00 0.00 C ATOM 0 H ILE A 54 -4.779 -30.605 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.170 -30.590 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.203 -32.250 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.234 -29.964 -4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.553 -29.761 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.543 -32.947 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.909 -33.614 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.032 -32.234 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.995 -29.768 -6.791 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.905 -31.174 -6.814 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.612 -31.380 -6.355 1.00 0.00 H new ATOM 856 N GLU A 55 -5.363 -33.343 -1.800 1.00 0.00 N ATOM 857 CA GLU A 55 -5.107 -34.545 -0.975 1.00 0.00 C ATOM 858 C GLU A 55 -4.983 -34.182 0.527 1.00 0.00 C ATOM 859 O GLU A 55 -5.499 -34.892 1.398 1.00 0.00 O ATOM 860 CB GLU A 55 -3.820 -35.234 -1.495 1.00 0.00 C ATOM 861 CG GLU A 55 -3.885 -35.643 -2.982 1.00 0.00 C ATOM 862 CD GLU A 55 -2.552 -36.192 -3.512 1.00 0.00 C ATOM 863 OE1 GLU A 55 -1.691 -35.386 -3.913 1.00 0.00 O ATOM 864 OE2 GLU A 55 -2.353 -37.426 -3.506 1.00 0.00 O ATOM 0 H GLU A 55 -4.643 -33.175 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.949 -35.232 -1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.976 -34.560 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.626 -36.122 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.660 -36.398 -3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.179 -34.779 -3.578 1.00 0.00 H new ATOM 871 N ARG A 56 -4.313 -33.050 0.801 1.00 0.00 N ATOM 872 CA ARG A 56 -4.143 -32.506 2.167 1.00 0.00 C ATOM 873 C ARG A 56 -5.464 -31.890 2.690 1.00 0.00 C ATOM 874 O ARG A 56 -5.723 -31.878 3.895 1.00 0.00 O ATOM 875 CB ARG A 56 -2.989 -31.467 2.154 1.00 0.00 C ATOM 876 CG ARG A 56 -2.643 -30.815 3.516 1.00 0.00 C ATOM 877 CD ARG A 56 -2.344 -31.838 4.633 1.00 0.00 C ATOM 878 NE ARG A 56 -1.342 -32.848 4.236 1.00 0.00 N ATOM 879 CZ ARG A 56 -0.011 -32.725 4.368 1.00 0.00 C ATOM 880 NH1 ARG A 56 0.535 -31.619 4.872 1.00 0.00 N ATOM 881 NH2 ARG A 56 0.778 -33.722 3.996 1.00 0.00 N ATOM 0 H ARG A 56 -3.870 -32.480 0.080 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.884 -33.313 2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.093 -31.954 1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.248 -30.675 1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.777 -30.165 3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.474 -30.182 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.988 -31.309 5.517 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.269 -32.342 4.914 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.691 -33.714 3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.060 -30.845 5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.548 -31.547 4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.374 -34.576 3.612 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.790 -33.635 4.093 1.00 0.00 H new ATOM 895 N PHE A 57 -6.293 -31.400 1.761 1.00 0.00 N ATOM 896 CA PHE A 57 -7.608 -30.802 2.066 1.00 0.00 C ATOM 897 C PHE A 57 -8.691 -31.901 2.245 1.00 0.00 C ATOM 898 O PHE A 57 -9.811 -31.598 2.657 1.00 0.00 O ATOM 899 CB PHE A 57 -8.017 -29.798 0.938 1.00 0.00 C ATOM 900 CG PHE A 57 -7.314 -28.424 0.939 1.00 0.00 C ATOM 901 CD1 PHE A 57 -5.971 -28.272 1.286 1.00 0.00 C ATOM 902 CD2 PHE A 57 -8.016 -27.277 0.577 1.00 0.00 C ATOM 903 CE1 PHE A 57 -5.364 -27.030 1.267 1.00 0.00 C ATOM 904 CE2 PHE A 57 -7.412 -26.036 0.559 1.00 0.00 C ATOM 905 CZ PHE A 57 -6.089 -25.913 0.901 1.00 0.00 C ATOM 0 H PHE A 57 -6.072 -31.405 0.765 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.529 -30.257 3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.830 -30.274 -0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.092 -29.629 1.007 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.396 -29.139 1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.058 -27.360 0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.323 -26.933 1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -7.980 -25.162 0.276 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.615 -24.943 0.884 1.00 0.00 H new ATOM 915 N LYS A 58 -8.353 -33.177 1.922 1.00 0.00 N ATOM 916 CA LYS A 58 -9.278 -34.317 2.113 1.00 0.00 C ATOM 917 C LYS A 58 -9.351 -34.737 3.586 1.00 0.00 C ATOM 918 O LYS A 58 -10.415 -35.155 4.058 1.00 0.00 O ATOM 919 CB LYS A 58 -8.899 -35.535 1.224 1.00 0.00 C ATOM 920 CG LYS A 58 -9.032 -35.334 -0.313 1.00 0.00 C ATOM 921 CD LYS A 58 -10.426 -34.795 -0.772 1.00 0.00 C ATOM 922 CE LYS A 58 -10.484 -33.254 -0.902 1.00 0.00 C ATOM 923 NZ LYS A 58 -11.856 -32.756 -1.113 1.00 0.00 N ATOM 0 H LYS A 58 -7.448 -33.438 1.529 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.264 -33.972 1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.868 -35.812 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.525 -36.379 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.260 -34.640 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.841 -36.285 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.680 -35.242 -1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.184 -35.120 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.071 -32.801 -0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.855 -32.939 -1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.840 -31.719 -1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.243 -33.165 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.453 -33.032 -0.307 1.00 0.00 H new ATOM 937 N GLU A 59 -8.228 -34.621 4.305 1.00 0.00 N ATOM 938 CA GLU A 59 -8.160 -35.005 5.717 1.00 0.00 C ATOM 939 C GLU A 59 -8.672 -33.825 6.587 1.00 0.00 C ATOM 940 O GLU A 59 -8.108 -32.725 6.553 1.00 0.00 O ATOM 941 CB GLU A 59 -6.726 -35.484 6.085 1.00 0.00 C ATOM 942 CG GLU A 59 -5.581 -34.506 5.758 1.00 0.00 C ATOM 943 CD GLU A 59 -4.189 -35.115 5.980 1.00 0.00 C ATOM 944 OE1 GLU A 59 -3.905 -35.586 7.104 1.00 0.00 O ATOM 945 OE2 GLU A 59 -3.362 -35.120 5.041 1.00 0.00 O ATOM 0 H GLU A 59 -7.351 -34.262 3.928 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.810 -35.857 5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.699 -35.699 7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.534 -36.423 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.670 -34.186 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.684 -33.615 6.377 1.00 0.00 H new ATOM 952 N PRO A 60 -9.786 -34.040 7.363 1.00 0.00 N ATOM 953 CA PRO A 60 -10.562 -32.942 8.009 1.00 0.00 C ATOM 954 C PRO A 60 -9.865 -32.310 9.233 1.00 0.00 C ATOM 955 O PRO A 60 -10.305 -31.270 9.741 1.00 0.00 O ATOM 956 CB PRO A 60 -11.877 -33.655 8.395 1.00 0.00 C ATOM 957 CG PRO A 60 -11.456 -35.064 8.688 1.00 0.00 C ATOM 958 CD PRO A 60 -10.358 -35.375 7.693 1.00 0.00 C ATOM 0 HA PRO A 60 -10.693 -32.086 7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.343 -33.189 9.263 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.604 -33.617 7.584 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.096 -35.161 9.712 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.292 -35.754 8.578 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.606 -36.037 8.122 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.751 -35.872 6.806 1.00 0.00 H new ATOM 966 N ASP A 61 -8.768 -32.935 9.673 1.00 0.00 N ATOM 967 CA ASP A 61 -7.966 -32.471 10.817 1.00 0.00 C ATOM 968 C ASP A 61 -7.061 -31.286 10.417 1.00 0.00 C ATOM 969 O ASP A 61 -6.475 -30.631 11.286 1.00 0.00 O ATOM 970 CB ASP A 61 -7.106 -33.639 11.349 1.00 0.00 C ATOM 971 CG ASP A 61 -5.941 -34.017 10.412 1.00 0.00 C ATOM 972 OD1 ASP A 61 -6.204 -34.364 9.241 1.00 0.00 O ATOM 973 OD2 ASP A 61 -4.766 -33.951 10.837 1.00 0.00 O ATOM 0 H ASP A 61 -8.406 -33.786 9.243 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.643 -32.128 11.600 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.704 -33.369 12.326 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.742 -34.512 11.496 1.00 0.00 H new ATOM 978 N LEU A 62 -6.926 -31.058 9.094 1.00 0.00 N ATOM 979 CA LEU A 62 -6.188 -29.915 8.547 1.00 0.00 C ATOM 980 C LEU A 62 -6.792 -28.587 9.051 1.00 0.00 C ATOM 981 O LEU A 62 -7.916 -28.236 8.694 1.00 0.00 O ATOM 982 CB LEU A 62 -6.210 -29.949 6.991 1.00 0.00 C ATOM 983 CG LEU A 62 -5.505 -28.743 6.290 1.00 0.00 C ATOM 984 CD1 LEU A 62 -3.984 -28.793 6.510 1.00 0.00 C ATOM 985 CD2 LEU A 62 -5.865 -28.659 4.794 1.00 0.00 C ATOM 0 H LEU A 62 -7.328 -31.665 8.380 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.155 -29.982 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.735 -30.871 6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.247 -29.986 6.659 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.876 -27.829 6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.516 -27.943 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.769 -28.752 7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.587 -29.720 6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.354 -27.807 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.553 -29.575 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.942 -28.535 4.685 1.00 0.00 H new ATOM 997 N TYR A 63 -6.047 -27.868 9.894 1.00 0.00 N ATOM 998 CA TYR A 63 -6.457 -26.547 10.375 1.00 0.00 C ATOM 999 C TYR A 63 -5.206 -25.714 10.649 1.00 0.00 C ATOM 1000 O TYR A 63 -4.439 -26.041 11.551 1.00 0.00 O ATOM 1001 CB TYR A 63 -7.316 -26.703 11.659 1.00 0.00 C ATOM 1002 CG TYR A 63 -7.793 -25.379 12.281 1.00 0.00 C ATOM 1003 CD1 TYR A 63 -8.884 -24.684 11.747 1.00 0.00 C ATOM 1004 CD2 TYR A 63 -7.156 -24.819 13.400 1.00 0.00 C ATOM 1005 CE1 TYR A 63 -9.319 -23.491 12.303 1.00 0.00 C ATOM 1006 CE2 TYR A 63 -7.592 -23.627 13.955 1.00 0.00 C ATOM 1007 CZ TYR A 63 -8.670 -22.968 13.404 1.00 0.00 C ATOM 1008 OH TYR A 63 -9.110 -21.781 13.959 1.00 0.00 O ATOM 0 H TYR A 63 -5.148 -28.183 10.260 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.062 -26.040 9.623 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.188 -27.313 11.424 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.736 -27.250 12.403 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.397 -25.085 10.885 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.309 -25.328 13.837 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.164 -22.971 11.876 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.089 -23.215 14.817 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.547 -21.551 14.727 1.00 0.00 H new ATOM 1018 N GLY A 64 -5.033 -24.629 9.883 1.00 0.00 N ATOM 1019 CA GLY A 64 -3.921 -23.704 10.067 1.00 0.00 C ATOM 1020 C GLY A 64 -4.387 -22.434 10.747 1.00 0.00 C ATOM 1021 O GLY A 64 -5.002 -21.568 10.105 1.00 0.00 O ATOM 0 H GLY A 64 -5.662 -24.373 9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.143 -24.178 10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.478 -23.463 9.101 1.00 0.00 H new ATOM 1025 N GLU A 65 -4.111 -22.328 12.056 1.00 0.00 N ATOM 1026 CA GLU A 65 -4.401 -21.119 12.830 1.00 0.00 C ATOM 1027 C GLU A 65 -3.236 -20.145 12.650 1.00 0.00 C ATOM 1028 O GLU A 65 -2.162 -20.325 13.247 1.00 0.00 O ATOM 1029 CB GLU A 65 -4.617 -21.480 14.326 1.00 0.00 C ATOM 1030 CG GLU A 65 -4.931 -20.279 15.242 1.00 0.00 C ATOM 1031 CD GLU A 65 -5.286 -20.687 16.684 1.00 0.00 C ATOM 1032 OE1 GLU A 65 -6.472 -20.968 16.955 1.00 0.00 O ATOM 1033 OE2 GLU A 65 -4.380 -20.737 17.548 1.00 0.00 O ATOM 0 H GLU A 65 -3.683 -23.076 12.602 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.318 -20.649 12.476 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.435 -22.197 14.398 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.722 -21.979 14.698 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.069 -19.612 15.263 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.761 -19.714 14.817 1.00 0.00 H new ATOM 1040 N LEU A 66 -3.443 -19.142 11.784 1.00 0.00 N ATOM 1041 CA LEU A 66 -2.408 -18.166 11.438 1.00 0.00 C ATOM 1042 C LEU A 66 -2.407 -17.058 12.476 1.00 0.00 C ATOM 1043 O LEU A 66 -3.443 -16.456 12.779 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.605 -17.647 9.998 1.00 0.00 C ATOM 1045 CG LEU A 66 -1.388 -16.905 9.328 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -1.415 -17.087 7.792 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.352 -15.404 9.684 1.00 0.00 C ATOM 0 H LEU A 66 -4.331 -18.988 11.307 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.425 -18.637 11.453 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.873 -18.495 9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.457 -16.967 9.997 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.481 -17.359 9.726 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.566 -16.567 7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.357 -18.148 7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.342 -16.675 7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.496 -14.935 9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.270 -14.926 9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.265 -15.288 10.764 1.00 0.00 H new ATOM 1059 N LEU A 67 -1.222 -16.809 12.997 1.00 0.00 N ATOM 1060 CA LEU A 67 -0.996 -15.985 14.183 1.00 0.00 C ATOM 1061 C LEU A 67 -0.165 -14.740 13.834 1.00 0.00 C ATOM 1062 O LEU A 67 -0.351 -13.674 14.430 1.00 0.00 O ATOM 1063 CB LEU A 67 -0.330 -16.895 15.256 1.00 0.00 C ATOM 1064 CG LEU A 67 0.815 -17.855 14.730 1.00 0.00 C ATOM 1065 CD1 LEU A 67 2.222 -17.323 15.031 1.00 0.00 C ATOM 1066 CD2 LEU A 67 0.631 -19.304 15.227 1.00 0.00 C ATOM 0 H LEU A 67 -0.360 -17.182 12.600 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.932 -15.596 14.584 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.085 -16.259 16.038 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.105 -17.505 15.720 1.00 0.00 H new ATOM 0 HG LEU A 67 0.719 -17.872 13.644 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.965 -18.022 14.648 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.355 -16.353 14.551 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.347 -17.215 16.108 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.439 -19.926 14.842 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.649 -19.320 16.317 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.325 -19.691 14.874 1.00 0.00 H new ATOM 1078 N THR A 68 0.750 -14.886 12.856 1.00 0.00 N ATOM 1079 CA THR A 68 1.638 -13.806 12.387 1.00 0.00 C ATOM 1080 C THR A 68 1.929 -13.993 10.884 1.00 0.00 C ATOM 1081 O THR A 68 2.122 -15.121 10.431 1.00 0.00 O ATOM 1082 CB THR A 68 2.995 -13.802 13.186 1.00 0.00 C ATOM 1083 OG1 THR A 68 2.759 -13.576 14.588 1.00 0.00 O ATOM 1084 CG2 THR A 68 3.991 -12.742 12.675 1.00 0.00 C ATOM 0 H THR A 68 0.894 -15.768 12.364 1.00 0.00 H new ATOM 0 HA THR A 68 1.136 -12.853 12.554 1.00 0.00 H new ATOM 0 HB THR A 68 3.438 -14.785 13.028 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.613 -13.579 15.068 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.906 -12.788 13.265 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.224 -12.936 11.628 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.548 -11.751 12.770 1.00 0.00 H new ATOM 1092 N ARG A 69 1.925 -12.885 10.117 1.00 0.00 N ATOM 1093 CA ARG A 69 2.452 -12.859 8.738 1.00 0.00 C ATOM 1094 C ARG A 69 3.355 -11.614 8.579 1.00 0.00 C ATOM 1095 O ARG A 69 2.977 -10.500 8.975 1.00 0.00 O ATOM 1096 CB ARG A 69 1.304 -12.890 7.677 1.00 0.00 C ATOM 1097 CG ARG A 69 0.466 -11.598 7.566 1.00 0.00 C ATOM 1098 CD ARG A 69 -0.641 -11.684 6.498 1.00 0.00 C ATOM 1099 NE ARG A 69 -1.221 -10.359 6.212 1.00 0.00 N ATOM 1100 CZ ARG A 69 -2.503 -10.111 5.907 1.00 0.00 C ATOM 1101 NH1 ARG A 69 -3.437 -11.053 6.028 1.00 0.00 N ATOM 1102 NH2 ARG A 69 -2.847 -8.881 5.555 1.00 0.00 N ATOM 0 H ARG A 69 1.558 -11.987 10.434 1.00 0.00 H new ATOM 0 HA ARG A 69 3.045 -13.756 8.560 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.740 -13.104 6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.635 -13.717 7.915 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.013 -11.382 8.534 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.126 -10.763 7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.231 -12.108 5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.425 -12.360 6.839 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.590 -9.559 6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.183 -11.984 6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.407 -10.843 5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.142 -8.145 5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.817 -8.670 5.319 1.00 0.00 H new ATOM 1116 N VAL A 70 4.573 -11.830 8.062 1.00 0.00 N ATOM 1117 CA VAL A 70 5.540 -10.760 7.777 1.00 0.00 C ATOM 1118 C VAL A 70 5.642 -10.548 6.255 1.00 0.00 C ATOM 1119 O VAL A 70 5.811 -11.502 5.488 1.00 0.00 O ATOM 1120 CB VAL A 70 6.958 -11.062 8.412 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.867 -11.141 9.952 1.00 0.00 C ATOM 1122 CG2 VAL A 70 7.593 -12.351 7.854 1.00 0.00 C ATOM 0 H VAL A 70 4.918 -12.761 7.828 1.00 0.00 H new ATOM 0 HA VAL A 70 5.182 -9.841 8.240 1.00 0.00 H new ATOM 0 HB VAL A 70 7.606 -10.231 8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.854 -11.349 10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.503 -10.191 10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.180 -11.938 10.235 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.564 -12.511 8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.943 -13.199 8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.722 -12.256 6.776 1.00 0.00 H new ATOM 1132 N ILE A 71 5.515 -9.290 5.819 1.00 0.00 N ATOM 1133 CA ILE A 71 5.589 -8.928 4.393 1.00 0.00 C ATOM 1134 C ILE A 71 6.845 -8.080 4.126 1.00 0.00 C ATOM 1135 O ILE A 71 7.056 -7.037 4.752 1.00 0.00 O ATOM 1136 CB ILE A 71 4.288 -8.193 3.884 1.00 0.00 C ATOM 1137 CG1 ILE A 71 4.474 -7.707 2.404 1.00 0.00 C ATOM 1138 CG2 ILE A 71 3.867 -7.037 4.821 1.00 0.00 C ATOM 1139 CD1 ILE A 71 3.223 -7.175 1.747 1.00 0.00 C ATOM 0 H ILE A 71 5.359 -8.495 6.439 1.00 0.00 H new ATOM 0 HA ILE A 71 5.659 -9.856 3.825 1.00 0.00 H new ATOM 0 HB ILE A 71 3.471 -8.914 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.236 -6.928 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.854 -8.538 1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.968 -6.561 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.666 -7.431 5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.671 -6.303 4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.451 -6.864 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.463 -7.956 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.850 -6.321 2.312 1.00 0.00 H new ATOM 1151 N VAL A 72 7.682 -8.571 3.205 1.00 0.00 N ATOM 1152 CA VAL A 72 8.879 -7.882 2.720 1.00 0.00 C ATOM 1153 C VAL A 72 8.648 -7.525 1.238 1.00 0.00 C ATOM 1154 O VAL A 72 8.873 -8.359 0.357 1.00 0.00 O ATOM 1155 CB VAL A 72 10.155 -8.803 2.881 1.00 0.00 C ATOM 1156 CG1 VAL A 72 11.443 -8.090 2.403 1.00 0.00 C ATOM 1157 CG2 VAL A 72 10.303 -9.306 4.341 1.00 0.00 C ATOM 0 H VAL A 72 7.540 -9.481 2.767 1.00 0.00 H new ATOM 0 HA VAL A 72 9.056 -6.977 3.302 1.00 0.00 H new ATOM 0 HB VAL A 72 10.009 -9.672 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.296 -8.756 2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.343 -7.825 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.598 -7.186 2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.189 -9.936 4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.404 -8.452 5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.421 -9.883 4.618 1.00 0.00 H new ATOM 1167 N GLY A 73 8.164 -6.299 0.984 1.00 0.00 N ATOM 1168 CA GLY A 73 7.866 -5.834 -0.377 1.00 0.00 C ATOM 1169 C GLY A 73 6.876 -6.732 -1.132 1.00 0.00 C ATOM 1170 O GLY A 73 5.706 -6.829 -0.745 1.00 0.00 O ATOM 0 H GLY A 73 7.970 -5.609 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.460 -4.824 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.795 -5.776 -0.943 1.00 0.00 H new ATOM 1174 N ASN A 74 7.367 -7.424 -2.188 1.00 0.00 N ATOM 1175 CA ASN A 74 6.530 -8.278 -3.067 1.00 0.00 C ATOM 1176 C ASN A 74 6.630 -9.777 -2.697 1.00 0.00 C ATOM 1177 O ASN A 74 6.212 -10.639 -3.469 1.00 0.00 O ATOM 1178 CB ASN A 74 6.906 -8.041 -4.562 1.00 0.00 C ATOM 1179 CG ASN A 74 8.251 -8.649 -4.974 1.00 0.00 C ATOM 1180 OD1 ASN A 74 9.301 -8.042 -4.803 1.00 0.00 O ATOM 1181 ND2 ASN A 74 8.217 -9.855 -5.536 1.00 0.00 N ATOM 0 H ASN A 74 8.351 -7.407 -2.454 1.00 0.00 H new ATOM 0 HA ASN A 74 5.490 -7.989 -2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.122 -8.459 -5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.931 -6.968 -4.753 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.083 -10.301 -5.839 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.325 -10.333 -5.664 1.00 0.00 H new ATOM 1188 N VAL A 75 7.149 -10.073 -1.500 1.00 0.00 N ATOM 1189 CA VAL A 75 7.293 -11.460 -0.993 1.00 0.00 C ATOM 1190 C VAL A 75 6.817 -11.516 0.469 1.00 0.00 C ATOM 1191 O VAL A 75 7.148 -10.632 1.262 1.00 0.00 O ATOM 1192 CB VAL A 75 8.776 -12.019 -1.154 1.00 0.00 C ATOM 1193 CG1 VAL A 75 9.830 -11.180 -0.391 1.00 0.00 C ATOM 1194 CG2 VAL A 75 8.872 -13.515 -0.751 1.00 0.00 C ATOM 0 H VAL A 75 7.484 -9.364 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 75 6.666 -12.114 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 75 9.010 -11.931 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.819 -11.614 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.822 -10.157 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.593 -11.178 0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.899 -13.860 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.573 -13.631 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.212 -14.106 -1.386 1.00 0.00 H new ATOM 1204 N VAL A 76 5.996 -12.529 0.819 1.00 0.00 N ATOM 1205 CA VAL A 76 5.429 -12.673 2.177 1.00 0.00 C ATOM 1206 C VAL A 76 5.801 -14.037 2.782 1.00 0.00 C ATOM 1207 O VAL A 76 5.756 -15.059 2.096 1.00 0.00 O ATOM 1208 CB VAL A 76 3.852 -12.509 2.178 1.00 0.00 C ATOM 1209 CG1 VAL A 76 3.244 -12.663 3.603 1.00 0.00 C ATOM 1210 CG2 VAL A 76 3.424 -11.161 1.551 1.00 0.00 C ATOM 0 H VAL A 76 5.709 -13.265 0.174 1.00 0.00 H new ATOM 0 HA VAL A 76 5.858 -11.877 2.786 1.00 0.00 H new ATOM 0 HB VAL A 76 3.456 -13.317 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.162 -12.543 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.481 -13.652 3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.663 -11.902 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.337 -11.081 1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.857 -10.340 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.776 -11.111 0.521 1.00 0.00 H new ATOM 1220 N ILE A 77 6.203 -14.017 4.065 1.00 0.00 N ATOM 1221 CA ILE A 77 6.272 -15.211 4.911 1.00 0.00 C ATOM 1222 C ILE A 77 5.063 -15.186 5.846 1.00 0.00 C ATOM 1223 O ILE A 77 4.898 -14.233 6.602 1.00 0.00 O ATOM 1224 CB ILE A 77 7.598 -15.257 5.762 1.00 0.00 C ATOM 1225 CG1 ILE A 77 8.826 -15.496 4.838 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.528 -16.291 6.927 1.00 0.00 C ATOM 1227 CD1 ILE A 77 10.092 -15.945 5.539 1.00 0.00 C ATOM 0 H ILE A 77 6.490 -13.163 4.543 1.00 0.00 H new ATOM 0 HA ILE A 77 6.268 -16.097 4.277 1.00 0.00 H new ATOM 0 HB ILE A 77 7.717 -14.285 6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.558 -16.246 4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.038 -14.573 4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.467 -16.281 7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.710 -16.029 7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.358 -17.287 6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.885 -16.083 4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.395 -15.189 6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.908 -16.887 6.055 1.00 0.00 H new ATOM 1239 N ASP A 78 4.213 -16.201 5.771 1.00 0.00 N ATOM 1240 CA ASP A 78 3.153 -16.413 6.772 1.00 0.00 C ATOM 1241 C ASP A 78 3.632 -17.444 7.797 1.00 0.00 C ATOM 1242 O ASP A 78 4.506 -18.269 7.503 1.00 0.00 O ATOM 1243 CB ASP A 78 1.827 -16.858 6.109 1.00 0.00 C ATOM 1244 CG ASP A 78 1.926 -18.211 5.391 1.00 0.00 C ATOM 1245 OD1 ASP A 78 2.431 -18.233 4.257 1.00 0.00 O ATOM 1246 OD2 ASP A 78 1.507 -19.246 5.962 1.00 0.00 O ATOM 0 H ASP A 78 4.230 -16.899 5.027 1.00 0.00 H new ATOM 0 HA ASP A 78 2.950 -15.469 7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.050 -16.916 6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.515 -16.098 5.393 1.00 0.00 H new ATOM 1251 N HIS A 79 3.064 -17.381 9.002 1.00 0.00 N ATOM 1252 CA HIS A 79 3.396 -18.300 10.088 1.00 0.00 C ATOM 1253 C HIS A 79 2.100 -18.716 10.783 1.00 0.00 C ATOM 1254 O HIS A 79 1.449 -17.910 11.471 1.00 0.00 O ATOM 1255 CB HIS A 79 4.397 -17.648 11.080 1.00 0.00 C ATOM 1256 CG HIS A 79 4.943 -18.600 12.116 1.00 0.00 C ATOM 1257 ND1 HIS A 79 4.978 -18.315 13.464 1.00 0.00 N ATOM 1258 CD2 HIS A 79 5.508 -19.826 11.989 1.00 0.00 C ATOM 1259 CE1 HIS A 79 5.542 -19.315 14.115 1.00 0.00 C ATOM 1260 NE2 HIS A 79 5.872 -20.244 13.243 1.00 0.00 N ATOM 0 H HIS A 79 2.358 -16.688 9.252 1.00 0.00 H new ATOM 0 HA HIS A 79 3.888 -19.187 9.688 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.228 -17.225 10.516 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.902 -16.820 11.587 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.646 -20.373 11.068 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.705 -19.363 15.182 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.325 -21.131 13.464 1.00 0.00 H new ATOM 1269 N GLU A 80 1.731 -19.969 10.557 1.00 0.00 N ATOM 1270 CA GLU A 80 0.550 -20.615 11.132 1.00 0.00 C ATOM 1271 C GLU A 80 0.972 -21.863 11.911 1.00 0.00 C ATOM 1272 O GLU A 80 2.135 -22.283 11.870 1.00 0.00 O ATOM 1273 CB GLU A 80 -0.510 -20.965 10.012 1.00 0.00 C ATOM 1274 CG GLU A 80 0.041 -21.184 8.585 1.00 0.00 C ATOM 1275 CD GLU A 80 0.992 -22.386 8.467 1.00 0.00 C ATOM 1276 OE1 GLU A 80 0.526 -23.515 8.226 1.00 0.00 O ATOM 1277 OE2 GLU A 80 2.207 -22.199 8.643 1.00 0.00 O ATOM 0 H GLU A 80 2.262 -20.590 9.947 1.00 0.00 H new ATOM 0 HA GLU A 80 0.070 -19.921 11.822 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.041 -21.868 10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.245 -20.161 9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.795 -21.325 7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.566 -20.284 8.266 1.00 0.00 H new ATOM 1284 N THR A 81 0.022 -22.402 12.671 1.00 0.00 N ATOM 1285 CA THR A 81 0.136 -23.716 13.306 1.00 0.00 C ATOM 1286 C THR A 81 -0.930 -24.656 12.714 1.00 0.00 C ATOM 1287 O THR A 81 -2.128 -24.500 12.994 1.00 0.00 O ATOM 1288 CB THR A 81 -0.021 -23.598 14.856 1.00 0.00 C ATOM 1289 OG1 THR A 81 1.018 -22.752 15.378 1.00 0.00 O ATOM 1290 CG2 THR A 81 0.036 -24.967 15.554 1.00 0.00 C ATOM 0 H THR A 81 -0.862 -21.933 12.867 1.00 0.00 H new ATOM 0 HA THR A 81 1.126 -24.128 13.109 1.00 0.00 H new ATOM 0 HB THR A 81 -1.002 -23.167 15.056 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.648 -22.174 16.078 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.078 -24.832 16.630 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.769 -25.600 15.181 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.995 -25.441 15.347 1.00 0.00 H new ATOM 1298 N VAL A 82 -0.492 -25.595 11.852 1.00 0.00 N ATOM 1299 CA VAL A 82 -1.371 -26.632 11.289 1.00 0.00 C ATOM 1300 C VAL A 82 -1.455 -27.843 12.221 1.00 0.00 C ATOM 1301 O VAL A 82 -0.435 -28.420 12.614 1.00 0.00 O ATOM 1302 CB VAL A 82 -0.961 -27.098 9.834 1.00 0.00 C ATOM 1303 CG1 VAL A 82 -1.376 -26.048 8.792 1.00 0.00 C ATOM 1304 CG2 VAL A 82 0.548 -27.399 9.732 1.00 0.00 C ATOM 0 H VAL A 82 0.474 -25.654 11.530 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.352 -26.166 11.201 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.494 -28.026 9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.085 -26.387 7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.457 -25.909 8.826 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.881 -25.102 9.012 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.788 -27.716 8.717 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.115 -26.501 9.976 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.809 -28.194 10.431 1.00 0.00 H new ATOM 1314 N THR A 83 -2.694 -28.203 12.579 1.00 0.00 N ATOM 1315 CA THR A 83 -2.986 -29.441 13.290 1.00 0.00 C ATOM 1316 C THR A 83 -2.813 -30.615 12.316 1.00 0.00 C ATOM 1317 O THR A 83 -3.494 -30.678 11.280 1.00 0.00 O ATOM 1318 CB THR A 83 -4.443 -29.426 13.848 1.00 0.00 C ATOM 1319 OG1 THR A 83 -4.627 -28.276 14.689 1.00 0.00 O ATOM 1320 CG2 THR A 83 -4.791 -30.716 14.634 1.00 0.00 C ATOM 0 H THR A 83 -3.520 -27.638 12.380 1.00 0.00 H new ATOM 0 HA THR A 83 -2.302 -29.545 14.132 1.00 0.00 H new ATOM 0 HB THR A 83 -5.119 -29.378 12.994 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.543 -28.268 15.037 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.816 -30.654 15.000 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.692 -31.580 13.977 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.110 -30.823 15.478 1.00 0.00 H new ATOM 1328 N ARG A 84 -1.862 -31.502 12.627 1.00 0.00 N ATOM 1329 CA ARG A 84 -1.605 -32.725 11.857 1.00 0.00 C ATOM 1330 C ARG A 84 -1.678 -33.892 12.847 1.00 0.00 C ATOM 1331 O ARG A 84 -0.912 -33.921 13.799 1.00 0.00 O ATOM 1332 CB ARG A 84 -0.191 -32.634 11.194 1.00 0.00 C ATOM 1333 CG ARG A 84 0.074 -31.348 10.352 1.00 0.00 C ATOM 1334 CD ARG A 84 -0.512 -31.399 8.916 1.00 0.00 C ATOM 1335 NE ARG A 84 -1.972 -31.624 8.894 1.00 0.00 N ATOM 1336 CZ ARG A 84 -2.583 -32.634 8.259 1.00 0.00 C ATOM 1337 NH1 ARG A 84 -1.883 -33.543 7.583 1.00 0.00 N ATOM 1338 NH2 ARG A 84 -3.895 -32.743 8.329 1.00 0.00 N ATOM 0 H ARG A 84 -1.242 -31.390 13.429 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.334 -32.864 11.058 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.563 -32.696 11.978 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.054 -33.503 10.551 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.349 -30.491 10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.150 -31.184 10.288 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.287 -30.463 8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.019 -32.194 8.357 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.559 -30.961 9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.866 -33.477 7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.364 -34.305 7.105 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.436 -32.062 8.863 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.370 -33.508 7.849 1.00 0.00 H new ATOM 1352 N ASN A 85 -2.581 -34.855 12.621 1.00 0.00 N ATOM 1353 CA ASN A 85 -2.839 -35.942 13.590 1.00 0.00 C ATOM 1354 C ASN A 85 -1.701 -36.963 13.582 1.00 0.00 C ATOM 1355 O ASN A 85 -1.707 -37.918 12.806 1.00 0.00 O ATOM 1356 CB ASN A 85 -4.229 -36.607 13.329 1.00 0.00 C ATOM 1357 CG ASN A 85 -5.420 -35.782 13.839 1.00 0.00 C ATOM 1358 OD1 ASN A 85 -5.309 -34.449 13.825 1.00 0.00 O flip ATOM 1359 ND2 ASN A 85 -6.443 -36.342 14.245 1.00 0.00 N flip ATOM 0 H ASN A 85 -3.149 -34.908 11.775 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.874 -35.509 14.590 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.346 -36.772 12.258 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.247 -37.587 13.806 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.501 -37.360 14.245 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.230 -35.786 14.581 1.00 0.00 H new ATOM 1366 N PHE A 86 -0.701 -36.697 14.432 1.00 0.00 N ATOM 1367 CA PHE A 86 0.441 -37.583 14.645 1.00 0.00 C ATOM 1368 C PHE A 86 0.055 -38.690 15.654 1.00 0.00 C ATOM 1369 O PHE A 86 -0.713 -38.423 16.583 1.00 0.00 O ATOM 1370 CB PHE A 86 1.665 -36.769 15.154 1.00 0.00 C ATOM 1371 CG PHE A 86 2.274 -35.763 14.167 1.00 0.00 C ATOM 1372 CD1 PHE A 86 1.951 -35.768 12.806 1.00 0.00 C ATOM 1373 CD2 PHE A 86 3.193 -34.808 14.614 1.00 0.00 C ATOM 1374 CE1 PHE A 86 2.518 -34.852 11.939 1.00 0.00 C ATOM 1375 CE2 PHE A 86 3.752 -33.898 13.745 1.00 0.00 C ATOM 1376 CZ PHE A 86 3.417 -33.920 12.409 1.00 0.00 C ATOM 0 H PHE A 86 -0.666 -35.848 14.997 1.00 0.00 H new ATOM 0 HA PHE A 86 0.718 -38.052 13.701 1.00 0.00 H new ATOM 0 HB2 PHE A 86 1.366 -36.228 16.052 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.444 -37.472 15.449 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.250 -36.497 12.427 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.469 -34.784 15.658 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.256 -34.867 10.891 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.455 -33.165 14.112 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.859 -33.206 11.730 1.00 0.00 H new ATOM 1386 N PRO A 87 0.581 -39.947 15.488 1.00 0.00 N ATOM 1387 CA PRO A 87 0.227 -41.104 16.366 1.00 0.00 C ATOM 1388 C PRO A 87 0.567 -40.883 17.864 1.00 0.00 C ATOM 1389 O PRO A 87 0.001 -41.555 18.739 1.00 0.00 O ATOM 1390 CB PRO A 87 1.048 -42.280 15.760 1.00 0.00 C ATOM 1391 CG PRO A 87 2.144 -41.624 14.978 1.00 0.00 C ATOM 1392 CD PRO A 87 1.542 -40.357 14.427 1.00 0.00 C ATOM 0 HA PRO A 87 -0.849 -41.280 16.378 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.451 -42.924 16.542 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.427 -42.907 15.120 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.003 -41.407 15.613 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.496 -42.272 14.176 1.00 0.00 H new ATOM 0 HD2 PRO A 87 2.300 -39.593 14.254 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.041 -40.530 13.475 1.00 0.00 H new ATOM 1400 N GLU A 88 1.477 -39.935 18.147 1.00 0.00 N ATOM 1401 CA GLU A 88 1.927 -39.631 19.525 1.00 0.00 C ATOM 1402 C GLU A 88 0.956 -38.692 20.270 1.00 0.00 C ATOM 1403 O GLU A 88 0.896 -38.733 21.506 1.00 0.00 O ATOM 1404 CB GLU A 88 3.359 -39.018 19.525 1.00 0.00 C ATOM 1405 CG GLU A 88 3.529 -37.734 18.658 1.00 0.00 C ATOM 1406 CD GLU A 88 4.183 -37.966 17.284 1.00 0.00 C ATOM 1407 OE1 GLU A 88 3.842 -38.956 16.606 1.00 0.00 O ATOM 1408 OE2 GLU A 88 5.016 -37.137 16.864 1.00 0.00 O ATOM 0 H GLU A 88 1.922 -39.358 17.434 1.00 0.00 H new ATOM 0 HA GLU A 88 1.944 -40.581 20.058 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.637 -38.783 20.553 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.060 -39.773 19.170 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.549 -37.282 18.507 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.130 -37.014 19.214 1.00 0.00 H new ATOM 1415 N GLY A 89 0.211 -37.839 19.535 1.00 0.00 N ATOM 1416 CA GLY A 89 -0.720 -36.899 20.176 1.00 0.00 C ATOM 1417 C GLY A 89 -1.357 -35.913 19.212 1.00 0.00 C ATOM 1418 O GLY A 89 -1.837 -36.314 18.148 1.00 0.00 O ATOM 0 H GLY A 89 0.237 -37.785 18.517 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.507 -37.465 20.675 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.187 -36.345 20.949 1.00 0.00 H new ATOM 1422 N LYS A 90 -1.389 -34.621 19.614 1.00 0.00 N ATOM 1423 CA LYS A 90 -1.937 -33.520 18.810 1.00 0.00 C ATOM 1424 C LYS A 90 -1.259 -33.445 17.429 1.00 0.00 C ATOM 1425 O LYS A 90 -1.882 -33.770 16.412 1.00 0.00 O ATOM 1426 CB LYS A 90 -1.791 -32.181 19.586 1.00 0.00 C ATOM 1427 CG LYS A 90 -2.207 -30.913 18.805 1.00 0.00 C ATOM 1428 CD LYS A 90 -3.680 -30.906 18.341 1.00 0.00 C ATOM 1429 CE LYS A 90 -4.687 -31.017 19.506 1.00 0.00 C ATOM 1430 NZ LYS A 90 -6.052 -30.571 19.116 1.00 0.00 N ATOM 0 H LYS A 90 -1.029 -34.317 20.519 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.996 -33.708 18.635 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.390 -32.240 20.495 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.752 -32.072 19.896 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.032 -30.040 19.434 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.563 -30.811 17.932 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.875 -29.988 17.787 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.840 -31.734 17.651 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.729 -32.050 19.850 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.336 -30.416 20.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.693 -30.663 19.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.019 -29.577 18.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.399 -31.161 18.333 1.00 0.00 H new ATOM 1444 N GLY A 91 0.013 -33.017 17.411 1.00 0.00 N ATOM 1445 CA GLY A 91 0.794 -32.992 16.181 1.00 0.00 C ATOM 1446 C GLY A 91 0.753 -31.650 15.479 1.00 0.00 C ATOM 1447 O GLY A 91 0.821 -31.577 14.245 1.00 0.00 O ATOM 0 H GLY A 91 0.514 -32.686 18.235 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.829 -33.244 16.410 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.421 -33.761 15.505 1.00 0.00 H new ATOM 1451 N GLU A 92 0.651 -30.583 16.273 1.00 0.00 N ATOM 1452 CA GLU A 92 0.463 -29.228 15.748 1.00 0.00 C ATOM 1453 C GLU A 92 1.844 -28.613 15.439 1.00 0.00 C ATOM 1454 O GLU A 92 2.640 -28.318 16.337 1.00 0.00 O ATOM 1455 CB GLU A 92 -0.339 -28.366 16.768 1.00 0.00 C ATOM 1456 CG GLU A 92 0.270 -28.281 18.188 1.00 0.00 C ATOM 1457 CD GLU A 92 -0.408 -27.242 19.084 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -1.488 -27.543 19.646 1.00 0.00 O ATOM 1459 OE2 GLU A 92 0.140 -26.122 19.238 1.00 0.00 O ATOM 0 H GLU A 92 0.696 -30.632 17.291 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.115 -29.259 14.824 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.432 -27.356 16.370 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.348 -28.772 16.847 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.200 -29.259 18.663 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.330 -28.041 18.106 1.00 0.00 H new ATOM 1466 N VAL A 93 2.149 -28.490 14.141 1.00 0.00 N ATOM 1467 CA VAL A 93 3.449 -27.990 13.676 1.00 0.00 C ATOM 1468 C VAL A 93 3.286 -26.562 13.149 1.00 0.00 C ATOM 1469 O VAL A 93 2.239 -26.214 12.589 1.00 0.00 O ATOM 1470 CB VAL A 93 4.100 -28.933 12.574 1.00 0.00 C ATOM 1471 CG1 VAL A 93 4.083 -30.401 13.039 1.00 0.00 C ATOM 1472 CG2 VAL A 93 3.435 -28.800 11.185 1.00 0.00 C ATOM 0 H VAL A 93 1.506 -28.733 13.387 1.00 0.00 H new ATOM 0 HA VAL A 93 4.134 -27.989 14.524 1.00 0.00 H new ATOM 0 HB VAL A 93 5.132 -28.601 12.457 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.533 -31.031 12.272 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.650 -30.496 13.965 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.054 -30.717 13.210 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.927 -29.470 10.480 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.380 -29.063 11.260 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.528 -27.772 10.834 1.00 0.00 H new ATOM 1482 N ASP A 94 4.299 -25.735 13.386 1.00 0.00 N ATOM 1483 CA ASP A 94 4.371 -24.383 12.829 1.00 0.00 C ATOM 1484 C ASP A 94 5.126 -24.459 11.497 1.00 0.00 C ATOM 1485 O ASP A 94 6.045 -25.265 11.365 1.00 0.00 O ATOM 1486 CB ASP A 94 5.077 -23.416 13.823 1.00 0.00 C ATOM 1487 CG ASP A 94 6.580 -23.702 14.018 1.00 0.00 C ATOM 1488 OD1 ASP A 94 6.919 -24.737 14.633 1.00 0.00 O ATOM 1489 OD2 ASP A 94 7.424 -22.893 13.566 1.00 0.00 O ATOM 0 H ASP A 94 5.097 -25.982 13.971 1.00 0.00 H new ATOM 0 HA ASP A 94 3.368 -23.990 12.661 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.956 -22.393 13.466 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.578 -23.478 14.790 1.00 0.00 H new ATOM 1494 N VAL A 95 4.704 -23.676 10.491 1.00 0.00 N ATOM 1495 CA VAL A 95 5.386 -23.605 9.176 1.00 0.00 C ATOM 1496 C VAL A 95 5.609 -22.114 8.821 1.00 0.00 C ATOM 1497 O VAL A 95 4.859 -21.245 9.272 1.00 0.00 O ATOM 1498 CB VAL A 95 4.537 -24.321 8.034 1.00 0.00 C ATOM 1499 CG1 VAL A 95 5.312 -24.465 6.703 1.00 0.00 C ATOM 1500 CG2 VAL A 95 3.960 -25.685 8.499 1.00 0.00 C ATOM 0 H VAL A 95 3.884 -23.074 10.560 1.00 0.00 H new ATOM 0 HA VAL A 95 6.340 -24.128 9.243 1.00 0.00 H new ATOM 0 HB VAL A 95 3.695 -23.657 7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.680 -24.960 5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.592 -23.477 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.211 -25.059 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.389 -26.135 7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.777 -26.349 8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.308 -25.530 9.358 1.00 0.00 H new ATOM 1510 N ALA A 96 6.685 -21.822 8.076 1.00 0.00 N ATOM 1511 CA ALA A 96 6.942 -20.496 7.501 1.00 0.00 C ATOM 1512 C ALA A 96 6.956 -20.631 5.976 1.00 0.00 C ATOM 1513 O ALA A 96 7.937 -21.128 5.396 1.00 0.00 O ATOM 1514 CB ALA A 96 8.267 -19.920 8.029 1.00 0.00 C ATOM 0 H ALA A 96 7.407 -22.507 7.854 1.00 0.00 H new ATOM 0 HA ALA A 96 6.157 -19.800 7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.437 -18.937 7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.217 -19.829 9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.087 -20.585 7.758 1.00 0.00 H new ATOM 1520 N CYS A 97 5.850 -20.233 5.332 1.00 0.00 N ATOM 1521 CA CYS A 97 5.678 -20.373 3.883 1.00 0.00 C ATOM 1522 C CYS A 97 6.014 -19.036 3.210 1.00 0.00 C ATOM 1523 O CYS A 97 5.279 -18.053 3.330 1.00 0.00 O ATOM 1524 CB CYS A 97 4.243 -20.839 3.553 1.00 0.00 C ATOM 1525 SG CYS A 97 3.764 -22.376 4.379 1.00 0.00 S ATOM 0 H CYS A 97 5.052 -19.806 5.802 1.00 0.00 H new ATOM 0 HA CYS A 97 6.356 -21.134 3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.542 -20.053 3.835 1.00 0.00 H new ATOM 0 HB3 CYS A 97 4.154 -20.974 2.475 1.00 0.00 H new ATOM 0 HG CYS A 97 2.547 -22.687 4.045 1.00 0.00 H new ATOM 1531 N ILE A 98 7.163 -19.015 2.526 1.00 0.00 N ATOM 1532 CA ILE A 98 7.682 -17.836 1.831 1.00 0.00 C ATOM 1533 C ILE A 98 7.336 -17.942 0.336 1.00 0.00 C ATOM 1534 O ILE A 98 7.818 -18.830 -0.355 1.00 0.00 O ATOM 1535 CB ILE A 98 9.244 -17.676 2.068 1.00 0.00 C ATOM 1536 CG1 ILE A 98 9.822 -16.460 1.269 1.00 0.00 C ATOM 1537 CG2 ILE A 98 10.028 -18.981 1.789 1.00 0.00 C ATOM 1538 CD1 ILE A 98 11.286 -16.151 1.542 1.00 0.00 C ATOM 0 H ILE A 98 7.768 -19.832 2.439 1.00 0.00 H new ATOM 0 HA ILE A 98 7.213 -16.939 2.235 1.00 0.00 H new ATOM 0 HB ILE A 98 9.380 -17.465 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.699 -16.653 0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.229 -15.576 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 98 11.090 -18.813 1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.670 -19.769 2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.877 -19.281 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.595 -15.294 0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.418 -15.922 2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.895 -17.016 1.279 1.00 0.00 H new ATOM 1550 N TYR A 99 6.456 -17.062 -0.153 1.00 0.00 N ATOM 1551 CA TYR A 99 6.053 -17.038 -1.575 1.00 0.00 C ATOM 1552 C TYR A 99 6.200 -15.628 -2.163 1.00 0.00 C ATOM 1553 O TYR A 99 5.864 -14.627 -1.518 1.00 0.00 O ATOM 1554 CB TYR A 99 4.613 -17.621 -1.777 1.00 0.00 C ATOM 1555 CG TYR A 99 3.596 -17.356 -0.653 1.00 0.00 C ATOM 1556 CD1 TYR A 99 3.345 -16.070 -0.181 1.00 0.00 C ATOM 1557 CD2 TYR A 99 2.867 -18.407 -0.079 1.00 0.00 C ATOM 1558 CE1 TYR A 99 2.417 -15.842 0.812 1.00 0.00 C ATOM 1559 CE2 TYR A 99 1.940 -18.181 0.914 1.00 0.00 C ATOM 1560 CZ TYR A 99 1.715 -16.895 1.357 1.00 0.00 C ATOM 1561 OH TYR A 99 0.781 -16.662 2.349 1.00 0.00 O ATOM 0 H TYR A 99 6.002 -16.348 0.416 1.00 0.00 H new ATOM 0 HA TYR A 99 6.730 -17.690 -2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 99 4.209 -17.215 -2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.698 -18.699 -1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.888 -15.236 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.036 -19.417 -0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.240 -14.836 1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.392 -19.007 1.343 1.00 0.00 H new ATOM 0 HH TYR A 99 1.062 -17.109 3.175 1.00 0.00 H new ATOM 1571 N GLU A 100 6.710 -15.577 -3.400 1.00 0.00 N ATOM 1572 CA GLU A 100 7.018 -14.339 -4.115 1.00 0.00 C ATOM 1573 C GLU A 100 5.874 -14.009 -5.080 1.00 0.00 C ATOM 1574 O GLU A 100 5.613 -14.744 -6.046 1.00 0.00 O ATOM 1575 CB GLU A 100 8.348 -14.509 -4.886 1.00 0.00 C ATOM 1576 CG GLU A 100 8.833 -13.250 -5.628 1.00 0.00 C ATOM 1577 CD GLU A 100 10.083 -13.502 -6.498 1.00 0.00 C ATOM 1578 OE1 GLU A 100 11.217 -13.379 -5.987 1.00 0.00 O ATOM 1579 OE2 GLU A 100 9.936 -13.817 -7.699 1.00 0.00 O ATOM 0 H GLU A 100 6.923 -16.415 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 100 7.126 -13.518 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.121 -14.819 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.231 -15.317 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.028 -12.875 -6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.056 -12.470 -4.900 1.00 0.00 H new ATOM 1586 N VAL A 101 5.194 -12.912 -4.769 1.00 0.00 N ATOM 1587 CA VAL A 101 4.085 -12.370 -5.547 1.00 0.00 C ATOM 1588 C VAL A 101 4.619 -11.398 -6.623 1.00 0.00 C ATOM 1589 O VAL A 101 5.212 -10.363 -6.300 1.00 0.00 O ATOM 1590 CB VAL A 101 3.076 -11.650 -4.576 1.00 0.00 C ATOM 1591 CG1 VAL A 101 1.932 -10.955 -5.335 1.00 0.00 C ATOM 1592 CG2 VAL A 101 2.510 -12.650 -3.539 1.00 0.00 C ATOM 0 H VAL A 101 5.406 -12.356 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 101 3.560 -13.177 -6.059 1.00 0.00 H new ATOM 0 HB VAL A 101 3.634 -10.874 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.263 -10.473 -4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.346 -10.205 -6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.376 -11.694 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.815 -12.133 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.988 -13.455 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.328 -13.067 -2.952 1.00 0.00 H new ATOM 1602 N GLU A 102 4.417 -11.758 -7.901 1.00 0.00 N ATOM 1603 CA GLU A 102 4.801 -10.936 -9.063 1.00 0.00 C ATOM 1604 C GLU A 102 3.563 -10.695 -9.956 1.00 0.00 C ATOM 1605 O GLU A 102 2.868 -11.647 -10.329 1.00 0.00 O ATOM 1606 CB GLU A 102 5.943 -11.630 -9.860 1.00 0.00 C ATOM 1607 CG GLU A 102 6.431 -10.873 -11.115 1.00 0.00 C ATOM 1608 CD GLU A 102 6.875 -9.420 -10.838 1.00 0.00 C ATOM 1609 OE1 GLU A 102 8.039 -9.210 -10.430 1.00 0.00 O ATOM 1610 OE2 GLU A 102 6.065 -8.483 -11.034 1.00 0.00 O ATOM 0 H GLU A 102 3.976 -12.640 -8.161 1.00 0.00 H new ATOM 0 HA GLU A 102 5.174 -9.971 -8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.792 -11.777 -9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.602 -12.620 -10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.265 -11.419 -11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.631 -10.863 -11.855 1.00 0.00 H new ATOM 1617 N ASN A 103 3.310 -9.409 -10.288 1.00 0.00 N ATOM 1618 CA ASN A 103 2.107 -8.945 -11.029 1.00 0.00 C ATOM 1619 C ASN A 103 0.797 -9.300 -10.282 1.00 0.00 C ATOM 1620 O ASN A 103 -0.263 -9.487 -10.892 1.00 0.00 O ATOM 1621 CB ASN A 103 2.088 -9.472 -12.497 1.00 0.00 C ATOM 1622 CG ASN A 103 3.238 -8.922 -13.350 1.00 0.00 C ATOM 1623 OD1 ASN A 103 4.313 -9.685 -13.469 1.00 0.00 O flip ATOM 1624 ND2 ASN A 103 3.143 -7.834 -13.921 1.00 0.00 N flip ATOM 0 H ASN A 103 3.945 -8.648 -10.046 1.00 0.00 H new ATOM 0 HA ASN A 103 2.167 -7.858 -11.078 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.140 -10.561 -12.486 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.139 -9.203 -12.961 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.300 -7.271 -13.808 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.907 -7.497 -14.507 1.00 0.00 H new ATOM 1631 N GLY A 104 0.884 -9.331 -8.941 1.00 0.00 N ATOM 1632 CA GLY A 104 -0.258 -9.661 -8.076 1.00 0.00 C ATOM 1633 C GLY A 104 -0.414 -11.161 -7.806 1.00 0.00 C ATOM 1634 O GLY A 104 -0.996 -11.551 -6.795 1.00 0.00 O ATOM 0 H GLY A 104 1.743 -9.129 -8.430 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.145 -9.140 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.172 -9.287 -8.538 1.00 0.00 H new ATOM 1638 N ARG A 105 0.188 -11.994 -8.668 1.00 0.00 N ATOM 1639 CA ARG A 105 0.024 -13.461 -8.660 1.00 0.00 C ATOM 1640 C ARG A 105 1.307 -14.098 -8.127 1.00 0.00 C ATOM 1641 O ARG A 105 2.393 -13.644 -8.466 1.00 0.00 O ATOM 1642 CB ARG A 105 -0.240 -13.973 -10.103 1.00 0.00 C ATOM 1643 CG ARG A 105 -1.543 -13.468 -10.760 1.00 0.00 C ATOM 1644 CD ARG A 105 -2.804 -14.065 -10.117 1.00 0.00 C ATOM 1645 NE ARG A 105 -4.035 -13.609 -10.793 1.00 0.00 N ATOM 1646 CZ ARG A 105 -5.199 -13.316 -10.193 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -5.337 -13.411 -8.874 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -6.222 -12.905 -10.925 1.00 0.00 N ATOM 0 H ARG A 105 0.813 -11.665 -9.404 1.00 0.00 H new ATOM 0 HA ARG A 105 -0.821 -13.729 -8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.600 -13.681 -10.733 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.262 -15.063 -10.085 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.584 -12.381 -10.688 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.529 -13.716 -11.821 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.751 -15.153 -10.155 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.843 -13.784 -9.064 1.00 0.00 H new ATOM 0 HE ARG A 105 -3.997 -13.508 -11.807 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.550 -13.711 -8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.230 -13.184 -8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.122 -12.813 -11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.111 -12.680 -10.478 1.00 0.00 H new ATOM 1662 N ILE A 106 1.186 -15.152 -7.312 1.00 0.00 N ATOM 1663 CA ILE A 106 2.359 -15.863 -6.777 1.00 0.00 C ATOM 1664 C ILE A 106 3.105 -16.585 -7.914 1.00 0.00 C ATOM 1665 O ILE A 106 2.623 -17.584 -8.435 1.00 0.00 O ATOM 1666 CB ILE A 106 1.948 -16.881 -5.652 1.00 0.00 C ATOM 1667 CG1 ILE A 106 1.282 -16.125 -4.467 1.00 0.00 C ATOM 1668 CG2 ILE A 106 3.153 -17.724 -5.164 1.00 0.00 C ATOM 1669 CD1 ILE A 106 0.843 -17.010 -3.321 1.00 0.00 C ATOM 0 H ILE A 106 0.290 -15.533 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 106 3.026 -15.127 -6.328 1.00 0.00 H new ATOM 0 HB ILE A 106 1.226 -17.578 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.984 -15.382 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.415 -15.582 -4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.824 -18.414 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.564 -18.289 -6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.920 -17.063 -4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.390 -16.398 -2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.114 -17.737 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.708 -17.534 -2.914 1.00 0.00 H new ATOM 1681 N ALA A 107 4.269 -16.039 -8.306 1.00 0.00 N ATOM 1682 CA ALA A 107 5.087 -16.581 -9.407 1.00 0.00 C ATOM 1683 C ALA A 107 5.902 -17.802 -8.947 1.00 0.00 C ATOM 1684 O ALA A 107 6.144 -18.734 -9.724 1.00 0.00 O ATOM 1685 CB ALA A 107 6.013 -15.484 -9.960 1.00 0.00 C ATOM 0 H ALA A 107 4.670 -15.209 -7.869 1.00 0.00 H new ATOM 0 HA ALA A 107 4.419 -16.913 -10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.614 -15.891 -10.773 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.412 -14.655 -10.333 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.670 -15.128 -9.166 1.00 0.00 H new ATOM 1691 N LYS A 108 6.329 -17.767 -7.677 1.00 0.00 N ATOM 1692 CA LYS A 108 7.130 -18.833 -7.044 1.00 0.00 C ATOM 1693 C LYS A 108 6.707 -18.960 -5.581 1.00 0.00 C ATOM 1694 O LYS A 108 6.367 -17.964 -4.948 1.00 0.00 O ATOM 1695 CB LYS A 108 8.651 -18.520 -7.134 1.00 0.00 C ATOM 1696 CG LYS A 108 9.254 -18.645 -8.553 1.00 0.00 C ATOM 1697 CD LYS A 108 10.683 -18.076 -8.651 1.00 0.00 C ATOM 1698 CE LYS A 108 11.269 -18.177 -10.070 1.00 0.00 C ATOM 1699 NZ LYS A 108 12.562 -17.454 -10.182 1.00 0.00 N ATOM 0 H LYS A 108 6.127 -16.989 -7.049 1.00 0.00 H new ATOM 0 HA LYS A 108 6.953 -19.771 -7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.822 -17.507 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.187 -19.194 -6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.266 -19.695 -8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.611 -18.123 -9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.675 -17.031 -8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.331 -18.611 -7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.414 -19.225 -10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.559 -17.766 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.927 -17.544 -11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.418 -16.449 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.247 -17.863 -9.515 1.00 0.00 H new ATOM 1713 N ALA A 109 6.754 -20.184 -5.050 1.00 0.00 N ATOM 1714 CA ALA A 109 6.326 -20.494 -3.681 1.00 0.00 C ATOM 1715 C ALA A 109 7.297 -21.494 -3.057 1.00 0.00 C ATOM 1716 O ALA A 109 7.741 -22.423 -3.721 1.00 0.00 O ATOM 1717 CB ALA A 109 4.885 -21.035 -3.679 1.00 0.00 C ATOM 0 H ALA A 109 7.094 -20.998 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 109 6.336 -19.583 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.582 -21.260 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.214 -20.285 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.836 -21.943 -4.280 1.00 0.00 H new ATOM 1723 N TRP A 110 7.642 -21.265 -1.790 1.00 0.00 N ATOM 1724 CA TRP A 110 8.595 -22.085 -1.016 1.00 0.00 C ATOM 1725 C TRP A 110 8.028 -22.210 0.417 1.00 0.00 C ATOM 1726 O TRP A 110 7.338 -21.295 0.877 1.00 0.00 O ATOM 1727 CB TRP A 110 10.012 -21.403 -0.982 1.00 0.00 C ATOM 1728 CG TRP A 110 10.491 -20.805 -2.302 1.00 0.00 C ATOM 1729 CD1 TRP A 110 10.937 -21.486 -3.389 1.00 0.00 C ATOM 1730 CD2 TRP A 110 10.577 -19.405 -2.662 1.00 0.00 C ATOM 1731 NE1 TRP A 110 11.267 -20.627 -4.398 1.00 0.00 N ATOM 1732 CE2 TRP A 110 11.064 -19.345 -3.978 1.00 0.00 C ATOM 1733 CE3 TRP A 110 10.291 -18.208 -2.003 1.00 0.00 C ATOM 1734 CZ2 TRP A 110 11.267 -18.142 -4.649 1.00 0.00 C ATOM 1735 CZ3 TRP A 110 10.488 -17.011 -2.666 1.00 0.00 C ATOM 1736 CH2 TRP A 110 10.972 -16.986 -3.980 1.00 0.00 C ATOM 0 H TRP A 110 7.261 -20.486 -1.253 1.00 0.00 H new ATOM 0 HA TRP A 110 8.715 -23.067 -1.474 1.00 0.00 H new ATOM 0 HB2 TRP A 110 9.997 -20.613 -0.231 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.743 -22.142 -0.653 1.00 0.00 H new ATOM 0 HD1 TRP A 110 11.020 -22.561 -3.448 1.00 0.00 H new ATOM 0 HE1 TRP A 110 11.610 -20.900 -5.319 1.00 0.00 H new ATOM 0 HE3 TRP A 110 9.921 -18.217 -0.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.644 -18.122 -5.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 10.265 -16.081 -2.163 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.115 -16.036 -4.474 1.00 0.00 H new ATOM 1747 N PHE A 111 8.273 -23.328 1.121 1.00 0.00 N ATOM 1748 CA PHE A 111 7.852 -23.450 2.540 1.00 0.00 C ATOM 1749 C PHE A 111 8.873 -24.255 3.351 1.00 0.00 C ATOM 1750 O PHE A 111 9.514 -25.174 2.820 1.00 0.00 O ATOM 1751 CB PHE A 111 6.417 -24.055 2.673 1.00 0.00 C ATOM 1752 CG PHE A 111 6.292 -25.566 2.450 1.00 0.00 C ATOM 1753 CD1 PHE A 111 6.212 -26.108 1.169 1.00 0.00 C ATOM 1754 CD2 PHE A 111 6.246 -26.446 3.538 1.00 0.00 C ATOM 1755 CE1 PHE A 111 6.086 -27.477 0.983 1.00 0.00 C ATOM 1756 CE2 PHE A 111 6.123 -27.808 3.352 1.00 0.00 C ATOM 1757 CZ PHE A 111 6.045 -28.325 2.074 1.00 0.00 C ATOM 0 H PHE A 111 8.750 -24.148 0.747 1.00 0.00 H new ATOM 0 HA PHE A 111 7.814 -22.442 2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 111 6.040 -23.824 3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.765 -23.549 1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.249 -25.454 0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 111 6.308 -26.052 4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.020 -27.881 -0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 111 6.088 -28.469 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.952 -29.391 1.927 1.00 0.00 H new ATOM 1767 N LYS A 112 9.018 -23.895 4.640 1.00 0.00 N ATOM 1768 CA LYS A 112 9.836 -24.648 5.603 1.00 0.00 C ATOM 1769 C LYS A 112 8.995 -24.972 6.847 1.00 0.00 C ATOM 1770 O LYS A 112 8.393 -24.079 7.438 1.00 0.00 O ATOM 1771 CB LYS A 112 11.131 -23.868 5.984 1.00 0.00 C ATOM 1772 CG LYS A 112 10.932 -22.522 6.724 1.00 0.00 C ATOM 1773 CD LYS A 112 12.270 -21.836 7.109 1.00 0.00 C ATOM 1774 CE LYS A 112 13.165 -22.715 8.007 1.00 0.00 C ATOM 1775 NZ LYS A 112 14.439 -22.045 8.374 1.00 0.00 N ATOM 0 H LYS A 112 8.569 -23.072 5.042 1.00 0.00 H new ATOM 0 HA LYS A 112 10.154 -25.581 5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.747 -24.514 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.695 -23.676 5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.354 -21.848 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.346 -22.694 7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.816 -21.582 6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.056 -20.900 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.620 -22.974 8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.386 -23.649 7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.003 -22.678 8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.975 -21.821 7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.233 -21.167 8.891 1.00 0.00 H new ATOM 1789 N ILE A 113 8.957 -26.255 7.247 1.00 0.00 N ATOM 1790 CA ILE A 113 8.199 -26.693 8.433 1.00 0.00 C ATOM 1791 C ILE A 113 9.117 -26.599 9.660 1.00 0.00 C ATOM 1792 O ILE A 113 10.206 -27.187 9.679 1.00 0.00 O ATOM 1793 CB ILE A 113 7.617 -28.146 8.247 1.00 0.00 C ATOM 1794 CG1 ILE A 113 6.467 -28.125 7.185 1.00 0.00 C ATOM 1795 CG2 ILE A 113 7.109 -28.756 9.588 1.00 0.00 C ATOM 1796 CD1 ILE A 113 5.964 -29.493 6.757 1.00 0.00 C ATOM 0 H ILE A 113 9.444 -27.010 6.764 1.00 0.00 H new ATOM 0 HA ILE A 113 7.338 -26.040 8.576 1.00 0.00 H new ATOM 0 HB ILE A 113 8.428 -28.784 7.895 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.629 -27.557 7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.818 -27.591 6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.718 -29.757 9.407 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.934 -28.812 10.298 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.319 -28.126 9.998 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.169 -29.374 6.020 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.784 -30.061 6.318 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.577 -30.026 7.625 1.00 0.00 H new ATOM 1808 N GLY A 114 8.665 -25.806 10.639 1.00 0.00 N ATOM 1809 CA GLY A 114 9.432 -25.487 11.847 1.00 0.00 C ATOM 1810 C GLY A 114 9.743 -26.691 12.737 1.00 0.00 C ATOM 1811 O GLY A 114 10.737 -27.398 12.506 1.00 0.00 O ATOM 0 H GLY A 114 7.746 -25.364 10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.370 -25.017 11.553 1.00 0.00 H new ATOM 0 HA3 GLY A 114 8.877 -24.753 12.431 1.00 0.00 H new ATOM 1815 N GLU A 115 8.895 -26.927 13.750 1.00 0.00 N ATOM 1816 CA GLU A 115 9.095 -28.009 14.726 1.00 0.00 C ATOM 1817 C GLU A 115 7.759 -28.758 14.940 1.00 0.00 C ATOM 1818 O GLU A 115 6.683 -28.186 14.710 1.00 0.00 O ATOM 1819 CB GLU A 115 9.631 -27.438 16.080 1.00 0.00 C ATOM 1820 CG GLU A 115 8.545 -26.830 16.988 1.00 0.00 C ATOM 1821 CD GLU A 115 9.074 -26.292 18.330 1.00 0.00 C ATOM 1822 OE1 GLU A 115 9.613 -27.090 19.121 1.00 0.00 O ATOM 1823 OE2 GLU A 115 8.935 -25.081 18.609 1.00 0.00 O ATOM 0 H GLU A 115 8.054 -26.375 13.915 1.00 0.00 H new ATOM 0 HA GLU A 115 9.839 -28.707 14.341 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.136 -28.237 16.623 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.379 -26.674 15.868 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.052 -26.018 16.453 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.787 -27.588 17.186 1.00 0.00 H new ATOM 1830 N PRO A 116 7.801 -30.053 15.367 1.00 0.00 N ATOM 1831 CA PRO A 116 6.593 -30.819 15.720 1.00 0.00 C ATOM 1832 C PRO A 116 6.199 -30.692 17.210 1.00 0.00 C ATOM 1833 O PRO A 116 6.933 -31.139 18.104 1.00 0.00 O ATOM 1834 CB PRO A 116 7.022 -32.236 15.331 1.00 0.00 C ATOM 1835 CG PRO A 116 8.484 -32.307 15.681 1.00 0.00 C ATOM 1836 CD PRO A 116 9.027 -30.902 15.469 1.00 0.00 C ATOM 0 HA PRO A 116 5.689 -30.473 15.218 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.448 -32.986 15.876 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.860 -32.420 14.269 1.00 0.00 H new ATOM 0 HG2 PRO A 116 8.624 -32.629 16.713 1.00 0.00 H new ATOM 0 HG3 PRO A 116 9.003 -33.027 15.049 1.00 0.00 H new ATOM 0 HD2 PRO A 116 9.661 -30.590 16.299 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.632 -30.840 14.564 1.00 0.00 H new ATOM 1844 N ARG A 117 5.030 -30.077 17.481 1.00 0.00 N ATOM 1845 CA ARG A 117 4.588 -29.795 18.864 1.00 0.00 C ATOM 1846 C ARG A 117 3.368 -30.647 19.239 1.00 0.00 C ATOM 1847 O ARG A 117 2.572 -31.044 18.382 1.00 0.00 O ATOM 1848 CB ARG A 117 4.255 -28.295 19.070 1.00 0.00 C ATOM 1849 CG ARG A 117 5.351 -27.306 18.629 1.00 0.00 C ATOM 1850 CD ARG A 117 5.007 -25.846 18.994 1.00 0.00 C ATOM 1851 NE ARG A 117 3.624 -25.477 18.607 1.00 0.00 N ATOM 1852 CZ ARG A 117 3.238 -24.311 18.070 1.00 0.00 C ATOM 1853 NH1 ARG A 117 4.116 -23.377 17.730 1.00 0.00 N ATOM 1854 NH2 ARG A 117 1.957 -24.088 17.872 1.00 0.00 N ATOM 0 H ARG A 117 4.376 -29.766 16.763 1.00 0.00 H new ATOM 0 HA ARG A 117 5.421 -30.055 19.517 1.00 0.00 H new ATOM 0 HB2 ARG A 117 3.341 -28.065 18.523 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.044 -28.129 20.126 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.296 -27.582 19.098 1.00 0.00 H new ATOM 0 HG3 ARG A 117 5.495 -27.384 17.551 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.131 -25.704 20.068 1.00 0.00 H new ATOM 0 HD3 ARG A 117 5.711 -25.176 18.500 1.00 0.00 H new ATOM 0 HE ARG A 117 2.898 -26.176 18.764 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.113 -23.537 17.875 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.794 -22.499 17.323 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.270 -24.798 18.126 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.650 -23.205 17.464 1.00 0.00 H new ATOM 1868 N ILE A 118 3.233 -30.897 20.545 1.00 0.00 N ATOM 1869 CA ILE A 118 2.141 -31.691 21.136 1.00 0.00 C ATOM 1870 C ILE A 118 1.550 -30.891 22.325 1.00 0.00 C ATOM 1871 O ILE A 118 2.227 -30.022 22.886 1.00 0.00 O ATOM 1872 CB ILE A 118 2.686 -33.107 21.613 1.00 0.00 C ATOM 1873 CG1 ILE A 118 3.299 -33.919 20.429 1.00 0.00 C ATOM 1874 CG2 ILE A 118 1.596 -33.947 22.307 1.00 0.00 C ATOM 1875 CD1 ILE A 118 2.291 -34.349 19.381 1.00 0.00 C ATOM 0 H ILE A 118 3.893 -30.547 21.240 1.00 0.00 H new ATOM 0 HA ILE A 118 1.361 -31.874 20.397 1.00 0.00 H new ATOM 0 HB ILE A 118 3.471 -32.898 22.340 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.069 -33.315 19.949 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.792 -34.806 20.828 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.016 -34.905 22.615 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.228 -33.413 23.183 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.772 -34.118 21.614 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.799 -34.907 18.595 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.533 -34.982 19.843 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.815 -33.468 18.951 1.00 0.00 H new ATOM 1887 N VAL A 119 0.283 -31.166 22.683 1.00 0.00 N ATOM 1888 CA VAL A 119 -0.357 -30.573 23.886 1.00 0.00 C ATOM 1889 C VAL A 119 0.261 -31.163 25.178 1.00 0.00 C ATOM 1890 O VAL A 119 0.572 -30.428 26.119 1.00 0.00 O ATOM 1891 CB VAL A 119 -1.921 -30.779 23.873 1.00 0.00 C ATOM 1892 CG1 VAL A 119 -2.581 -30.270 25.187 1.00 0.00 C ATOM 1893 CG2 VAL A 119 -2.552 -30.090 22.632 1.00 0.00 C ATOM 0 H VAL A 119 -0.325 -31.796 22.159 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.166 -29.500 23.867 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.112 -31.850 23.809 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.658 -30.430 25.139 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.171 -30.817 26.036 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.377 -29.206 25.308 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.631 -30.243 22.640 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.337 -29.022 22.660 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.131 -30.521 21.723 1.00 0.00 H new ATOM 1903 N SER A 120 0.455 -32.492 25.194 1.00 0.00 N ATOM 1904 CA SER A 120 1.093 -33.210 26.325 1.00 0.00 C ATOM 1905 C SER A 120 2.626 -32.944 26.398 1.00 0.00 C ATOM 1906 O SER A 120 3.285 -33.355 27.359 1.00 0.00 O ATOM 1907 CB SER A 120 0.789 -34.726 26.209 1.00 0.00 C ATOM 1908 OG SER A 120 1.299 -35.461 27.316 1.00 0.00 O ATOM 0 H SER A 120 0.177 -33.104 24.427 1.00 0.00 H new ATOM 0 HA SER A 120 0.671 -32.830 27.255 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.289 -34.875 26.141 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.223 -35.113 25.287 1.00 0.00 H new ATOM 0 HG SER A 120 2.139 -35.056 27.619 1.00 0.00 H new ATOM 1914 N GLN A 121 3.181 -32.264 25.370 1.00 0.00 N ATOM 1915 CA GLN A 121 4.589 -31.793 25.359 1.00 0.00 C ATOM 1916 C GLN A 121 4.788 -30.672 26.403 1.00 0.00 C ATOM 1917 O GLN A 121 5.865 -30.551 27.011 1.00 0.00 O ATOM 1918 CB GLN A 121 4.950 -31.309 23.931 1.00 0.00 C ATOM 1919 CG GLN A 121 6.364 -30.737 23.728 1.00 0.00 C ATOM 1920 CD GLN A 121 6.621 -30.316 22.274 1.00 0.00 C ATOM 1921 OE1 GLN A 121 6.328 -29.188 21.882 1.00 0.00 O ATOM 1922 NE2 GLN A 121 7.157 -31.217 21.465 1.00 0.00 N ATOM 0 H GLN A 121 2.667 -32.025 24.522 1.00 0.00 H new ATOM 0 HA GLN A 121 5.256 -32.612 25.629 1.00 0.00 H new ATOM 0 HB2 GLN A 121 4.821 -32.147 23.246 1.00 0.00 H new ATOM 0 HB3 GLN A 121 4.230 -30.545 23.639 1.00 0.00 H new ATOM 0 HG2 GLN A 121 6.502 -29.877 24.383 1.00 0.00 H new ATOM 0 HG3 GLN A 121 7.101 -31.484 24.023 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.390 -32.145 21.818 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.337 -30.983 20.489 1.00 0.00 H new ATOM 1931 N LYS A 122 3.734 -29.858 26.584 1.00 0.00 N ATOM 1932 CA LYS A 122 3.665 -28.807 27.620 1.00 0.00 C ATOM 1933 C LYS A 122 2.677 -29.248 28.729 1.00 0.00 C ATOM 1934 O LYS A 122 2.197 -30.391 28.722 1.00 0.00 O ATOM 1935 CB LYS A 122 3.212 -27.466 26.974 1.00 0.00 C ATOM 1936 CG LYS A 122 1.774 -27.495 26.405 1.00 0.00 C ATOM 1937 CD LYS A 122 1.306 -26.147 25.818 1.00 0.00 C ATOM 1938 CE LYS A 122 -0.169 -26.192 25.380 1.00 0.00 C ATOM 1939 NZ LYS A 122 -0.638 -24.902 24.819 1.00 0.00 N ATOM 0 H LYS A 122 2.894 -29.910 26.008 1.00 0.00 H new ATOM 0 HA LYS A 122 4.648 -28.658 28.066 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.281 -26.674 27.720 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.904 -27.209 26.172 1.00 0.00 H new ATOM 0 HG2 LYS A 122 1.716 -28.258 25.628 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.087 -27.794 27.197 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.440 -25.361 26.562 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.931 -25.887 24.963 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.299 -26.977 24.634 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.790 -26.459 26.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.636 -24.987 24.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.541 -24.156 25.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.066 -24.657 23.986 1.00 0.00 H new ATOM 1953 N SER A 123 2.372 -28.334 29.671 1.00 0.00 N ATOM 1954 CA SER A 123 1.353 -28.558 30.711 1.00 0.00 C ATOM 1955 C SER A 123 0.878 -27.182 31.258 1.00 0.00 C ATOM 1956 O SER A 123 -0.140 -26.653 30.759 1.00 0.00 O ATOM 1957 CB SER A 123 1.915 -29.474 31.840 1.00 0.00 C ATOM 1958 OG SER A 123 0.911 -29.834 32.780 1.00 0.00 O ATOM 1959 OXT SER A 123 1.536 -26.619 32.163 1.00 0.00 O ATOM 0 H SER A 123 2.825 -27.422 29.731 1.00 0.00 H new ATOM 0 HA SER A 123 0.493 -29.075 30.285 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.339 -30.376 31.398 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.726 -28.959 32.355 1.00 0.00 H new ATOM 0 HG SER A 123 1.301 -30.409 33.471 1.00 0.00 H new TER 1965 SER A 123