USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 819 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 23 TYR OH : rot 30:sc= 0.957 USER MOD Set 1.2: A 65 SER OG : rot -169:sc= 1 USER MOD Single : A 3 GLN : amide:sc= -0.445 X(o=-0.44,f=-0.18) USER MOD Single : A 7 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.13) USER MOD Single : A 13 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-2.7!) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0977 F(o=-0.76!,f=-0.098) USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= 0.0565 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= 0.813 (180deg=0.304) USER MOD Single : A 21 SER OG : rot 180:sc= -0.184 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.0186 (180deg=-0.179) USER MOD Single : A 29 MET CE :methyl -158:sc= -1.67 (180deg=-2.86!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= 0.00399 K(o=0.004,f=-0.59) USER MOD Single : A 41 LYS NZ :NH3+ 166:sc= -0.0368 (180deg=-0.253) USER MOD Single : A 45 ASN : amide:sc= 0.18 X(o=0.18,f=-0.15) USER MOD Single : A 50 SER OG : rot 98:sc= 0.17 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.96! X(o=-2!,f=-1.6) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -137:sc= 0.354 (180deg=-1.09!) USER MOD Single : A 74 GLN : amide:sc= -3.39! C(o=-3.4!,f=-6.8!) USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 2.1 (180deg=1.86) USER MOD Single : A 76 GLN : amide:sc= -3.38! C(o=-3.4!,f=-5.6!) USER MOD Single : A 77 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0863) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -142:sc= -2.65! (180deg=-4.99!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 130:sc=-2.15e-06 USER MOD Single : A 97 LYS NZ :NH3+ -130:sc= -1.26 (180deg=-3.58!) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -10.222 -7.002 14.996 1.00 12.21 N ATOM 21 CA ASP A 2 -10.750 -8.186 14.299 1.00 12.22 C ATOM 22 C ASP A 2 -9.642 -9.099 13.744 1.00 3.32 C ATOM 23 O ASP A 2 -8.546 -8.639 13.411 1.00 11.33 O ATOM 24 CB ASP A 2 -11.664 -7.745 13.156 1.00 53.44 C ATOM 25 CG ASP A 2 -12.832 -6.913 13.649 1.00 41.05 C ATOM 26 OD1 ASP A 2 -13.722 -7.482 14.314 1.00 41.42 O ATOM 27 OD2 ASP A 2 -12.863 -5.692 13.375 1.00 75.52 O ATOM 0 HA ASP A 2 -11.307 -8.765 15.035 1.00 12.22 H new ATOM 0 HB2 ASP A 2 -11.087 -7.168 12.433 1.00 53.44 H new ATOM 0 HB3 ASP A 2 -12.041 -8.624 12.634 1.00 53.44 H new ATOM 32 N GLN A 3 -9.952 -10.394 13.627 1.00 11.03 N ATOM 33 CA GLN A 3 -9.024 -11.375 13.045 1.00 31.44 C ATOM 34 C GLN A 3 -8.640 -11.000 11.607 1.00 25.43 C ATOM 35 O GLN A 3 -7.513 -11.244 11.168 1.00 10.22 O ATOM 36 CB GLN A 3 -9.638 -12.783 13.077 1.00 62.52 C ATOM 37 CG GLN A 3 -9.743 -13.376 14.478 1.00 33.41 C ATOM 38 CD GLN A 3 -8.385 -13.557 15.137 1.00 20.13 C ATOM 39 OE1 GLN A 3 -7.741 -14.591 14.991 1.00 61.14 O ATOM 40 NE2 GLN A 3 -7.935 -12.554 15.867 1.00 53.21 N ATOM 0 H GLN A 3 -10.842 -10.791 13.928 1.00 11.03 H new ATOM 0 HA GLN A 3 -8.117 -11.369 13.650 1.00 31.44 H new ATOM 0 HB2 GLN A 3 -10.633 -12.746 12.633 1.00 62.52 H new ATOM 0 HB3 GLN A 3 -9.036 -13.446 12.456 1.00 62.52 H new ATOM 0 HG2 GLN A 3 -10.361 -12.727 15.098 1.00 33.41 H new ATOM 0 HG3 GLN A 3 -10.248 -14.340 14.424 1.00 33.41 H new ATOM 0 HE21 GLN A 3 -8.494 -11.707 15.969 1.00 53.21 H new ATOM 0 HE22 GLN A 3 -7.028 -12.626 16.329 1.00 53.21 H new ATOM 49 N PHE A 4 -9.589 -10.418 10.875 1.00 23.42 N ATOM 50 CA PHE A 4 -9.313 -9.875 9.542 1.00 65.43 C ATOM 51 C PHE A 4 -8.157 -8.868 9.593 1.00 53.13 C ATOM 52 O PHE A 4 -7.181 -8.981 8.848 1.00 13.33 O ATOM 53 CB PHE A 4 -10.575 -9.204 8.976 1.00 43.25 C ATOM 54 CG PHE A 4 -10.348 -8.478 7.674 1.00 33.33 C ATOM 55 CD1 PHE A 4 -10.077 -9.182 6.510 1.00 50.12 C ATOM 56 CD2 PHE A 4 -10.402 -7.091 7.614 1.00 74.11 C ATOM 57 CE1 PHE A 4 -9.864 -8.522 5.317 1.00 34.34 C ATOM 58 CE2 PHE A 4 -10.191 -6.425 6.421 1.00 4.11 C ATOM 59 CZ PHE A 4 -9.921 -7.143 5.271 1.00 45.22 C ATOM 0 H PHE A 4 -10.556 -10.310 11.181 1.00 23.42 H new ATOM 0 HA PHE A 4 -9.022 -10.697 8.888 1.00 65.43 H new ATOM 0 HB2 PHE A 4 -11.343 -9.963 8.829 1.00 43.25 H new ATOM 0 HB3 PHE A 4 -10.961 -8.499 9.712 1.00 43.25 H new ATOM 0 HD1 PHE A 4 -10.032 -10.261 6.538 1.00 50.12 H new ATOM 0 HD2 PHE A 4 -10.611 -6.526 8.510 1.00 74.11 H new ATOM 0 HE1 PHE A 4 -9.653 -9.084 4.419 1.00 34.34 H new ATOM 0 HE2 PHE A 4 -10.237 -5.346 6.388 1.00 4.11 H new ATOM 0 HZ PHE A 4 -9.755 -6.626 4.337 1.00 45.22 H new ATOM 69 N LEU A 5 -8.269 -7.902 10.500 1.00 45.21 N ATOM 70 CA LEU A 5 -7.246 -6.869 10.673 1.00 51.44 C ATOM 71 C LEU A 5 -5.891 -7.483 11.062 1.00 31.54 C ATOM 72 O LEU A 5 -4.856 -7.131 10.499 1.00 11.21 O ATOM 73 CB LEU A 5 -7.698 -5.862 11.739 1.00 61.24 C ATOM 74 CG LEU A 5 -9.029 -5.146 11.444 1.00 34.55 C ATOM 75 CD1 LEU A 5 -9.412 -4.214 12.590 1.00 34.53 C ATOM 76 CD2 LEU A 5 -8.948 -4.378 10.125 1.00 54.35 C ATOM 0 H LEU A 5 -9.064 -7.811 11.133 1.00 45.21 H new ATOM 0 HA LEU A 5 -7.117 -6.354 9.721 1.00 51.44 H new ATOM 0 HB2 LEU A 5 -7.788 -6.383 12.692 1.00 61.24 H new ATOM 0 HB3 LEU A 5 -6.918 -5.110 11.859 1.00 61.24 H new ATOM 0 HG LEU A 5 -9.807 -5.903 11.351 1.00 34.55 H new ATOM 0 HD11 LEU A 5 -10.356 -3.720 12.358 1.00 34.53 H new ATOM 0 HD12 LEU A 5 -9.521 -4.792 13.508 1.00 34.53 H new ATOM 0 HD13 LEU A 5 -8.633 -3.463 12.724 1.00 34.53 H new ATOM 0 HD21 LEU A 5 -9.899 -3.879 9.935 1.00 54.35 H new ATOM 0 HD22 LEU A 5 -8.154 -3.634 10.185 1.00 54.35 H new ATOM 0 HD23 LEU A 5 -8.734 -5.072 9.312 1.00 54.35 H new ATOM 88 N VAL A 6 -5.915 -8.411 12.020 1.00 1.25 N ATOM 89 CA VAL A 6 -4.699 -9.090 12.484 1.00 45.54 C ATOM 90 C VAL A 6 -3.901 -9.698 11.317 1.00 3.41 C ATOM 91 O VAL A 6 -2.694 -9.483 11.196 1.00 61.12 O ATOM 92 CB VAL A 6 -5.038 -10.208 13.507 1.00 52.25 C ATOM 93 CG1 VAL A 6 -3.780 -10.964 13.934 1.00 74.03 C ATOM 94 CG2 VAL A 6 -5.760 -9.628 14.723 1.00 43.43 C ATOM 0 H VAL A 6 -6.767 -8.712 12.493 1.00 1.25 H new ATOM 0 HA VAL A 6 -4.084 -8.331 12.968 1.00 45.54 H new ATOM 0 HB VAL A 6 -5.706 -10.918 13.019 1.00 52.25 H new ATOM 0 HG11 VAL A 6 -4.048 -11.741 14.650 1.00 74.03 H new ATOM 0 HG12 VAL A 6 -3.316 -11.421 13.060 1.00 74.03 H new ATOM 0 HG13 VAL A 6 -3.078 -10.270 14.397 1.00 74.03 H new ATOM 0 HG21 VAL A 6 -5.988 -10.428 15.427 1.00 43.43 H new ATOM 0 HG22 VAL A 6 -5.121 -8.890 15.208 1.00 43.43 H new ATOM 0 HG23 VAL A 6 -6.687 -9.151 14.403 1.00 43.43 H new ATOM 104 N GLN A 7 -4.586 -10.444 10.451 1.00 53.02 N ATOM 105 CA GLN A 7 -3.926 -11.128 9.331 1.00 14.43 C ATOM 106 C GLN A 7 -3.407 -10.150 8.263 1.00 72.31 C ATOM 107 O GLN A 7 -2.248 -10.238 7.848 1.00 33.33 O ATOM 108 CB GLN A 7 -4.880 -12.144 8.695 1.00 12.22 C ATOM 109 CG GLN A 7 -5.270 -13.292 9.623 1.00 73.14 C ATOM 110 CD GLN A 7 -4.070 -14.086 10.116 1.00 21.12 C ATOM 111 OE1 GLN A 7 -3.630 -15.033 9.473 1.00 21.53 O ATOM 112 NE2 GLN A 7 -3.530 -13.709 11.258 1.00 54.13 N ATOM 0 H GLN A 7 -5.594 -10.592 10.500 1.00 53.02 H new ATOM 0 HA GLN A 7 -3.059 -11.645 9.741 1.00 14.43 H new ATOM 0 HB2 GLN A 7 -5.784 -11.627 8.373 1.00 12.22 H new ATOM 0 HB3 GLN A 7 -4.413 -12.556 7.800 1.00 12.22 H new ATOM 0 HG2 GLN A 7 -5.812 -12.892 10.480 1.00 73.14 H new ATOM 0 HG3 GLN A 7 -5.952 -13.961 9.099 1.00 73.14 H new ATOM 0 HE21 GLN A 7 -3.919 -12.917 11.769 1.00 54.13 H new ATOM 0 HE22 GLN A 7 -2.723 -14.209 11.630 1.00 54.13 H new ATOM 121 N ILE A 8 -4.255 -9.221 7.815 1.00 31.10 N ATOM 122 CA ILE A 8 -3.852 -8.276 6.763 1.00 63.01 C ATOM 123 C ILE A 8 -2.673 -7.394 7.211 1.00 71.23 C ATOM 124 O ILE A 8 -1.725 -7.183 6.453 1.00 42.42 O ATOM 125 CB ILE A 8 -5.028 -7.381 6.282 1.00 2.14 C ATOM 126 CG1 ILE A 8 -5.579 -6.513 7.426 1.00 71.13 C ATOM 127 CG2 ILE A 8 -6.133 -8.244 5.671 1.00 10.43 C ATOM 128 CD1 ILE A 8 -6.655 -5.536 6.990 1.00 51.35 C ATOM 0 H ILE A 8 -5.209 -9.101 8.155 1.00 31.10 H new ATOM 0 HA ILE A 8 -3.532 -8.888 5.920 1.00 63.01 H new ATOM 0 HB ILE A 8 -4.648 -6.706 5.515 1.00 2.14 H new ATOM 0 HG12 ILE A 8 -5.985 -7.164 8.200 1.00 71.13 H new ATOM 0 HG13 ILE A 8 -4.757 -5.957 7.876 1.00 71.13 H new ATOM 0 HG21 ILE A 8 -6.951 -7.605 5.338 1.00 10.43 H new ATOM 0 HG22 ILE A 8 -5.735 -8.797 4.820 1.00 10.43 H new ATOM 0 HG23 ILE A 8 -6.502 -8.946 6.419 1.00 10.43 H new ATOM 0 HD11 ILE A 8 -6.994 -4.960 7.851 1.00 51.35 H new ATOM 0 HD12 ILE A 8 -6.249 -4.860 6.238 1.00 51.35 H new ATOM 0 HD13 ILE A 8 -7.496 -6.086 6.568 1.00 51.35 H new ATOM 140 N PHE A 9 -2.719 -6.903 8.451 1.00 23.31 N ATOM 141 CA PHE A 9 -1.621 -6.092 8.997 1.00 43.22 C ATOM 142 C PHE A 9 -0.338 -6.926 9.149 1.00 33.22 C ATOM 143 O PHE A 9 0.764 -6.436 8.891 1.00 71.13 O ATOM 144 CB PHE A 9 -2.017 -5.478 10.349 1.00 64.34 C ATOM 145 CG PHE A 9 -3.184 -4.511 10.280 1.00 1.12 C ATOM 146 CD1 PHE A 9 -3.528 -3.883 9.088 1.00 74.30 C ATOM 147 CD2 PHE A 9 -3.932 -4.228 11.414 1.00 35.55 C ATOM 148 CE1 PHE A 9 -4.591 -3.000 9.032 1.00 34.32 C ATOM 149 CE2 PHE A 9 -4.995 -3.344 11.362 1.00 2.31 C ATOM 150 CZ PHE A 9 -5.324 -2.731 10.169 1.00 33.02 C ATOM 0 H PHE A 9 -3.497 -7.049 9.094 1.00 23.31 H new ATOM 0 HA PHE A 9 -1.423 -5.285 8.291 1.00 43.22 H new ATOM 0 HB2 PHE A 9 -2.268 -6.283 11.040 1.00 64.34 H new ATOM 0 HB3 PHE A 9 -1.154 -4.958 10.765 1.00 64.34 H new ATOM 0 HD1 PHE A 9 -2.958 -4.087 8.194 1.00 74.30 H new ATOM 0 HD2 PHE A 9 -3.681 -4.704 12.350 1.00 35.55 H new ATOM 0 HE1 PHE A 9 -4.847 -2.521 8.098 1.00 34.32 H new ATOM 0 HE2 PHE A 9 -5.567 -3.133 12.254 1.00 2.31 H new ATOM 0 HZ PHE A 9 -6.154 -2.042 10.126 1.00 33.02 H new ATOM 160 N ALA A 10 -0.490 -8.187 9.557 1.00 52.30 N ATOM 161 CA ALA A 10 0.644 -9.112 9.669 1.00 43.14 C ATOM 162 C ALA A 10 1.423 -9.205 8.345 1.00 3.24 C ATOM 163 O ALA A 10 2.650 -9.312 8.334 1.00 62.53 O ATOM 164 CB ALA A 10 0.157 -10.494 10.098 1.00 4.43 C ATOM 0 H ALA A 10 -1.389 -8.594 9.816 1.00 52.30 H new ATOM 0 HA ALA A 10 1.322 -8.723 10.429 1.00 43.14 H new ATOM 0 HB1 ALA A 10 1.008 -11.171 10.177 1.00 4.43 H new ATOM 0 HB2 ALA A 10 -0.340 -10.421 11.065 1.00 4.43 H new ATOM 0 HB3 ALA A 10 -0.545 -10.878 9.358 1.00 4.43 H new ATOM 170 N VAL A 11 0.695 -9.162 7.228 1.00 21.12 N ATOM 171 CA VAL A 11 1.314 -9.153 5.900 1.00 72.44 C ATOM 172 C VAL A 11 1.970 -7.791 5.603 1.00 53.24 C ATOM 173 O VAL A 11 3.100 -7.724 5.118 1.00 55.41 O ATOM 174 CB VAL A 11 0.273 -9.472 4.795 1.00 13.22 C ATOM 175 CG1 VAL A 11 0.924 -9.489 3.411 1.00 35.33 C ATOM 176 CG2 VAL A 11 -0.429 -10.800 5.081 1.00 40.14 C ATOM 0 H VAL A 11 -0.325 -9.133 7.216 1.00 21.12 H new ATOM 0 HA VAL A 11 2.082 -9.926 5.899 1.00 72.44 H new ATOM 0 HB VAL A 11 -0.476 -8.680 4.801 1.00 13.22 H new ATOM 0 HG11 VAL A 11 0.170 -9.715 2.657 1.00 35.33 H new ATOM 0 HG12 VAL A 11 1.363 -8.513 3.204 1.00 35.33 H new ATOM 0 HG13 VAL A 11 1.703 -10.251 3.385 1.00 35.33 H new ATOM 0 HG21 VAL A 11 -1.155 -11.005 4.294 1.00 40.14 H new ATOM 0 HG22 VAL A 11 0.308 -11.602 5.112 1.00 40.14 H new ATOM 0 HG23 VAL A 11 -0.942 -10.741 6.041 1.00 40.14 H new ATOM 186 N ILE A 12 1.257 -6.710 5.923 1.00 63.25 N ATOM 187 CA ILE A 12 1.734 -5.342 5.662 1.00 43.22 C ATOM 188 C ILE A 12 3.044 -5.018 6.411 1.00 43.02 C ATOM 189 O ILE A 12 3.922 -4.338 5.878 1.00 51.21 O ATOM 190 CB ILE A 12 0.647 -4.300 6.033 1.00 14.53 C ATOM 191 CG1 ILE A 12 -0.626 -4.558 5.213 1.00 0.15 C ATOM 192 CG2 ILE A 12 1.154 -2.874 5.803 1.00 73.32 C ATOM 193 CD1 ILE A 12 -1.808 -3.709 5.624 1.00 63.45 C ATOM 0 H ILE A 12 0.340 -6.752 6.367 1.00 63.25 H new ATOM 0 HA ILE A 12 1.943 -5.286 4.594 1.00 43.22 H new ATOM 0 HB ILE A 12 0.414 -4.405 7.093 1.00 14.53 H new ATOM 0 HG12 ILE A 12 -0.410 -4.376 4.160 1.00 0.15 H new ATOM 0 HG13 ILE A 12 -0.898 -5.609 5.305 1.00 0.15 H new ATOM 0 HG21 ILE A 12 0.373 -2.163 6.071 1.00 73.32 H new ATOM 0 HG22 ILE A 12 2.034 -2.697 6.421 1.00 73.32 H new ATOM 0 HG23 ILE A 12 1.417 -2.746 4.753 1.00 73.32 H new ATOM 0 HD11 ILE A 12 -2.666 -3.952 4.997 1.00 63.45 H new ATOM 0 HD12 ILE A 12 -2.053 -3.907 6.667 1.00 63.45 H new ATOM 0 HD13 ILE A 12 -1.558 -2.655 5.504 1.00 63.45 H new ATOM 205 N HIS A 13 3.184 -5.513 7.640 1.00 44.30 N ATOM 206 CA HIS A 13 4.428 -5.321 8.405 1.00 74.05 C ATOM 207 C HIS A 13 5.631 -6.007 7.727 1.00 53.44 C ATOM 208 O HIS A 13 6.784 -5.716 8.052 1.00 54.24 O ATOM 209 CB HIS A 13 4.275 -5.835 9.848 1.00 32.42 C ATOM 210 CG HIS A 13 3.512 -4.907 10.750 1.00 33.11 C ATOM 211 ND1 HIS A 13 4.086 -3.757 11.241 1.00 12.44 N ATOM 212 CD2 HIS A 13 2.253 -5.010 11.236 1.00 61.42 C ATOM 213 CE1 HIS A 13 3.175 -3.193 12.011 1.00 12.34 C ATOM 214 NE2 HIS A 13 2.046 -3.915 12.038 1.00 24.23 N ATOM 0 H HIS A 13 2.464 -6.045 8.128 1.00 44.30 H new ATOM 0 HA HIS A 13 4.621 -4.249 8.431 1.00 74.05 H new ATOM 0 HB2 HIS A 13 3.770 -6.801 9.827 1.00 32.42 H new ATOM 0 HB3 HIS A 13 5.266 -6.002 10.270 1.00 32.42 H new ATOM 0 HD2 HIS A 13 1.547 -5.801 11.032 1.00 61.42 H new ATOM 0 HE1 HIS A 13 3.320 -2.269 12.550 1.00 12.34 H new ATOM 0 HE2 HIS A 13 1.195 -3.693 12.556 1.00 24.23 H new ATOM 222 N GLN A 14 5.360 -6.910 6.783 1.00 35.32 N ATOM 223 CA GLN A 14 6.419 -7.644 6.075 1.00 1.31 C ATOM 224 C GLN A 14 6.832 -6.956 4.759 1.00 23.03 C ATOM 225 O GLN A 14 7.703 -7.452 4.041 1.00 42.33 O ATOM 226 CB GLN A 14 5.962 -9.087 5.804 1.00 42.33 C ATOM 227 CG GLN A 14 5.754 -9.903 7.074 1.00 0.21 C ATOM 228 CD GLN A 14 5.166 -11.280 6.807 1.00 63.14 C ATOM 229 OE1 GLN A 14 3.854 -11.375 6.821 1.00 65.10 O flip ATOM 230 NE2 GLN A 14 5.885 -12.250 6.595 1.00 3.15 N flip ATOM 0 H GLN A 14 4.414 -7.153 6.488 1.00 35.32 H new ATOM 0 HA GLN A 14 7.299 -7.652 6.719 1.00 1.31 H new ATOM 0 HB2 GLN A 14 5.031 -9.065 5.238 1.00 42.33 H new ATOM 0 HB3 GLN A 14 6.704 -9.584 5.179 1.00 42.33 H new ATOM 0 HG2 GLN A 14 6.709 -10.015 7.587 1.00 0.21 H new ATOM 0 HG3 GLN A 14 5.093 -9.356 7.746 1.00 0.21 H new ATOM 0 HE21 GLN A 14 6.899 -12.142 6.591 1.00 3.15 H new ATOM 0 HE22 GLN A 14 5.469 -13.165 6.422 1.00 3.15 H new ATOM 239 N ILE A 15 6.217 -5.812 4.445 1.00 52.03 N ATOM 240 CA ILE A 15 6.600 -5.040 3.255 1.00 34.32 C ATOM 241 C ILE A 15 7.896 -4.247 3.529 1.00 11.50 C ATOM 242 O ILE A 15 7.934 -3.410 4.436 1.00 13.52 O ATOM 243 CB ILE A 15 5.487 -4.048 2.815 1.00 12.51 C ATOM 244 CG1 ILE A 15 4.100 -4.712 2.846 1.00 42.10 C ATOM 245 CG2 ILE A 15 5.779 -3.508 1.414 1.00 55.34 C ATOM 246 CD1 ILE A 15 3.940 -5.863 1.877 1.00 23.34 C ATOM 0 H ILE A 15 5.459 -5.402 4.991 1.00 52.03 H new ATOM 0 HA ILE A 15 6.757 -5.757 2.449 1.00 34.32 H new ATOM 0 HB ILE A 15 5.481 -3.219 3.523 1.00 12.51 H new ATOM 0 HG12 ILE A 15 3.905 -5.073 3.856 1.00 42.10 H new ATOM 0 HG13 ILE A 15 3.344 -3.958 2.625 1.00 42.10 H new ATOM 0 HG21 ILE A 15 4.991 -2.815 1.120 1.00 55.34 H new ATOM 0 HG22 ILE A 15 6.737 -2.988 1.417 1.00 55.34 H new ATOM 0 HG23 ILE A 15 5.817 -4.336 0.706 1.00 55.34 H new ATOM 0 HD11 ILE A 15 2.934 -6.274 1.963 1.00 23.34 H new ATOM 0 HD12 ILE A 15 4.100 -5.507 0.859 1.00 23.34 H new ATOM 0 HD13 ILE A 15 4.670 -6.638 2.109 1.00 23.34 H new ATOM 258 N PRO A 16 8.974 -4.497 2.759 1.00 43.32 N ATOM 259 CA PRO A 16 10.292 -3.882 3.002 1.00 55.10 C ATOM 260 C PRO A 16 10.398 -2.423 2.518 1.00 71.41 C ATOM 261 O PRO A 16 9.492 -1.891 1.870 1.00 23.21 O ATOM 262 CB PRO A 16 11.233 -4.786 2.197 1.00 60.42 C ATOM 263 CG PRO A 16 10.401 -5.252 1.051 1.00 32.02 C ATOM 264 CD PRO A 16 8.998 -5.396 1.587 1.00 24.21 C ATOM 0 HA PRO A 16 10.516 -3.819 4.067 1.00 55.10 H new ATOM 0 HB2 PRO A 16 12.113 -4.241 1.855 1.00 60.42 H new ATOM 0 HB3 PRO A 16 11.590 -5.623 2.796 1.00 60.42 H new ATOM 0 HG2 PRO A 16 10.433 -4.537 0.229 1.00 32.02 H new ATOM 0 HG3 PRO A 16 10.769 -6.201 0.662 1.00 32.02 H new ATOM 0 HD2 PRO A 16 8.255 -5.105 0.845 1.00 24.21 H new ATOM 0 HD3 PRO A 16 8.781 -6.426 1.869 1.00 24.21 H new ATOM 272 N LYS A 17 11.529 -1.789 2.825 1.00 14.42 N ATOM 273 CA LYS A 17 11.774 -0.398 2.441 1.00 74.41 C ATOM 274 C LYS A 17 12.034 -0.283 0.932 1.00 0.52 C ATOM 275 O LYS A 17 12.909 -0.959 0.382 1.00 14.54 O ATOM 276 CB LYS A 17 12.962 0.164 3.254 1.00 11.45 C ATOM 277 CG LYS A 17 13.342 1.619 2.937 1.00 63.22 C ATOM 278 CD LYS A 17 14.355 1.728 1.793 1.00 13.34 C ATOM 279 CE LYS A 17 14.732 3.178 1.506 1.00 55.44 C ATOM 280 NZ LYS A 17 15.766 3.301 0.441 1.00 72.11 N ATOM 0 H LYS A 17 12.295 -2.220 3.342 1.00 14.42 H new ATOM 0 HA LYS A 17 10.885 0.192 2.665 1.00 74.41 H new ATOM 0 HB2 LYS A 17 12.722 0.091 4.315 1.00 11.45 H new ATOM 0 HB3 LYS A 17 13.833 -0.468 3.079 1.00 11.45 H new ATOM 0 HG2 LYS A 17 12.443 2.177 2.675 1.00 63.22 H new ATOM 0 HG3 LYS A 17 13.757 2.085 3.831 1.00 63.22 H new ATOM 0 HD2 LYS A 17 15.252 1.163 2.047 1.00 13.34 H new ATOM 0 HD3 LYS A 17 13.937 1.276 0.893 1.00 13.34 H new ATOM 0 HE2 LYS A 17 13.840 3.729 1.207 1.00 55.44 H new ATOM 0 HE3 LYS A 17 15.101 3.641 2.421 1.00 55.44 H new ATOM 0 HZ1 LYS A 17 15.701 4.241 0.001 1.00 72.11 H new ATOM 0 HZ2 LYS A 17 16.711 3.179 0.859 1.00 72.11 H new ATOM 0 HZ3 LYS A 17 15.609 2.569 -0.281 1.00 72.11 H new ATOM 294 N GLY A 18 11.253 0.559 0.262 1.00 71.21 N ATOM 295 CA GLY A 18 11.486 0.831 -1.156 1.00 60.22 C ATOM 296 C GLY A 18 10.543 0.081 -2.094 1.00 45.23 C ATOM 297 O GLY A 18 10.503 0.363 -3.291 1.00 1.25 O ATOM 0 H GLY A 18 10.463 1.060 0.669 1.00 71.21 H new ATOM 0 HA2 GLY A 18 11.382 1.902 -1.332 1.00 60.22 H new ATOM 0 HA3 GLY A 18 12.514 0.566 -1.402 1.00 60.22 H new ATOM 301 N LYS A 19 9.786 -0.875 -1.559 1.00 14.33 N ATOM 302 CA LYS A 19 8.833 -1.648 -2.366 1.00 12.21 C ATOM 303 C LYS A 19 7.391 -1.451 -1.886 1.00 2.24 C ATOM 304 O LYS A 19 7.146 -1.087 -0.733 1.00 50.54 O ATOM 305 CB LYS A 19 9.197 -3.143 -2.350 1.00 23.43 C ATOM 306 CG LYS A 19 10.455 -3.482 -3.147 1.00 2.01 C ATOM 307 CD LYS A 19 10.332 -3.031 -4.603 1.00 41.12 C ATOM 308 CE LYS A 19 11.494 -3.515 -5.463 1.00 0.42 C ATOM 309 NZ LYS A 19 11.573 -4.997 -5.507 1.00 44.45 N ATOM 0 H LYS A 19 9.811 -1.135 -0.573 1.00 14.33 H new ATOM 0 HA LYS A 19 8.898 -1.277 -3.389 1.00 12.21 H new ATOM 0 HB2 LYS A 19 9.336 -3.462 -1.317 1.00 23.43 H new ATOM 0 HB3 LYS A 19 8.360 -3.715 -2.750 1.00 23.43 H new ATOM 0 HG2 LYS A 19 11.319 -3.002 -2.688 1.00 2.01 H new ATOM 0 HG3 LYS A 19 10.631 -4.557 -3.111 1.00 2.01 H new ATOM 0 HD2 LYS A 19 9.396 -3.405 -5.018 1.00 41.12 H new ATOM 0 HD3 LYS A 19 10.285 -1.943 -4.640 1.00 41.12 H new ATOM 0 HE2 LYS A 19 11.382 -3.128 -6.476 1.00 0.42 H new ATOM 0 HE3 LYS A 19 12.428 -3.114 -5.070 1.00 0.42 H new ATOM 0 HZ1 LYS A 19 12.157 -5.290 -6.316 1.00 44.45 H new ATOM 0 HZ2 LYS A 19 12.001 -5.348 -4.626 1.00 44.45 H new ATOM 0 HZ3 LYS A 19 10.617 -5.393 -5.609 1.00 44.45 H new ATOM 323 N VAL A 20 6.440 -1.693 -2.787 1.00 52.22 N ATOM 324 CA VAL A 20 5.012 -1.546 -2.485 1.00 63.24 C ATOM 325 C VAL A 20 4.228 -2.814 -2.863 1.00 41.51 C ATOM 326 O VAL A 20 4.777 -3.740 -3.461 1.00 65.11 O ATOM 327 CB VAL A 20 4.400 -0.327 -3.229 1.00 41.41 C ATOM 328 CG1 VAL A 20 5.070 0.973 -2.788 1.00 12.32 C ATOM 329 CG2 VAL A 20 4.501 -0.504 -4.745 1.00 33.12 C ATOM 0 H VAL A 20 6.633 -1.995 -3.742 1.00 52.22 H new ATOM 0 HA VAL A 20 4.931 -1.384 -1.410 1.00 63.24 H new ATOM 0 HB VAL A 20 3.344 -0.269 -2.966 1.00 41.41 H new ATOM 0 HG11 VAL A 20 4.624 1.812 -3.323 1.00 12.32 H new ATOM 0 HG12 VAL A 20 4.928 1.110 -1.716 1.00 12.32 H new ATOM 0 HG13 VAL A 20 6.136 0.926 -3.010 1.00 12.32 H new ATOM 0 HG21 VAL A 20 4.066 0.363 -5.242 1.00 33.12 H new ATOM 0 HG22 VAL A 20 5.548 -0.598 -5.031 1.00 33.12 H new ATOM 0 HG23 VAL A 20 3.961 -1.403 -5.043 1.00 33.12 H new ATOM 339 N SER A 21 2.944 -2.847 -2.511 1.00 54.21 N ATOM 340 CA SER A 21 2.071 -3.982 -2.849 1.00 14.33 C ATOM 341 C SER A 21 0.609 -3.532 -2.979 1.00 44.00 C ATOM 342 O SER A 21 0.252 -2.418 -2.587 1.00 74.34 O ATOM 343 CB SER A 21 2.180 -5.090 -1.790 1.00 43.41 C ATOM 344 OG SER A 21 1.385 -6.214 -2.136 1.00 71.25 O ATOM 0 H SER A 21 2.480 -2.102 -1.991 1.00 54.21 H new ATOM 0 HA SER A 21 2.402 -4.377 -3.809 1.00 14.33 H new ATOM 0 HB2 SER A 21 3.221 -5.396 -1.687 1.00 43.41 H new ATOM 0 HB3 SER A 21 1.864 -4.703 -0.821 1.00 43.41 H new ATOM 0 HG SER A 21 1.475 -6.904 -1.445 1.00 71.25 H new ATOM 350 N THR A 22 -0.237 -4.397 -3.532 1.00 31.02 N ATOM 351 CA THR A 22 -1.659 -4.074 -3.739 1.00 63.32 C ATOM 352 C THR A 22 -2.557 -4.700 -2.665 1.00 33.22 C ATOM 353 O THR A 22 -2.204 -5.704 -2.040 1.00 4.01 O ATOM 354 CB THR A 22 -2.158 -4.547 -5.125 1.00 55.40 C ATOM 355 OG1 THR A 22 -2.033 -5.974 -5.233 1.00 70.44 O ATOM 356 CG2 THR A 22 -1.377 -3.872 -6.251 1.00 42.23 C ATOM 0 H THR A 22 0.031 -5.329 -3.847 1.00 31.02 H new ATOM 0 HA THR A 22 -1.726 -2.988 -3.675 1.00 63.32 H new ATOM 0 HB THR A 22 -3.207 -4.267 -5.220 1.00 55.40 H new ATOM 0 HG1 THR A 22 -2.353 -6.265 -6.113 1.00 70.44 H new ATOM 0 HG21 THR A 22 -1.749 -4.223 -7.213 1.00 42.23 H new ATOM 0 HG22 THR A 22 -1.504 -2.791 -6.185 1.00 42.23 H new ATOM 0 HG23 THR A 22 -0.319 -4.119 -6.159 1.00 42.23 H new ATOM 364 N TYR A 23 -3.734 -4.103 -2.463 1.00 20.13 N ATOM 365 CA TYR A 23 -4.713 -4.618 -1.497 1.00 54.45 C ATOM 366 C TYR A 23 -5.088 -6.078 -1.797 1.00 54.41 C ATOM 367 O TYR A 23 -5.340 -6.867 -0.882 1.00 22.01 O ATOM 368 CB TYR A 23 -5.973 -3.741 -1.495 1.00 25.10 C ATOM 369 CG TYR A 23 -5.720 -2.330 -1.006 1.00 10.45 C ATOM 370 CD1 TYR A 23 -5.543 -2.072 0.345 1.00 31.23 C ATOM 371 CD2 TYR A 23 -5.641 -1.260 -1.892 1.00 44.42 C ATOM 372 CE1 TYR A 23 -5.300 -0.795 0.802 1.00 50.42 C ATOM 373 CE2 TYR A 23 -5.392 0.022 -1.440 1.00 55.23 C ATOM 374 CZ TYR A 23 -5.223 0.247 -0.092 1.00 44.43 C ATOM 375 OH TYR A 23 -4.966 1.518 0.369 1.00 4.23 O ATOM 0 H TYR A 23 -4.034 -3.262 -2.955 1.00 20.13 H new ATOM 0 HA TYR A 23 -4.252 -4.586 -0.510 1.00 54.45 H new ATOM 0 HB2 TYR A 23 -6.381 -3.700 -2.505 1.00 25.10 H new ATOM 0 HB3 TYR A 23 -6.730 -4.206 -0.864 1.00 25.10 H new ATOM 0 HD1 TYR A 23 -5.597 -2.887 1.052 1.00 31.23 H new ATOM 0 HD2 TYR A 23 -5.776 -1.434 -2.949 1.00 44.42 H new ATOM 0 HE1 TYR A 23 -5.170 -0.613 1.859 1.00 50.42 H new ATOM 0 HE2 TYR A 23 -5.330 0.842 -2.140 1.00 55.23 H new ATOM 0 HH TYR A 23 -4.419 1.467 1.181 1.00 4.23 H new ATOM 385 N GLY A 24 -5.128 -6.426 -3.084 1.00 14.43 N ATOM 386 CA GLY A 24 -5.389 -7.802 -3.488 1.00 1.23 C ATOM 387 C GLY A 24 -4.340 -8.782 -2.967 1.00 45.34 C ATOM 388 O GLY A 24 -4.679 -9.796 -2.357 1.00 42.20 O ATOM 0 H GLY A 24 -4.984 -5.777 -3.857 1.00 14.43 H new ATOM 0 HA2 GLY A 24 -6.372 -8.102 -3.125 1.00 1.23 H new ATOM 0 HA3 GLY A 24 -5.421 -7.856 -4.576 1.00 1.23 H new ATOM 392 N GLU A 25 -3.062 -8.472 -3.201 1.00 4.14 N ATOM 393 CA GLU A 25 -1.954 -9.315 -2.729 1.00 31.01 C ATOM 394 C GLU A 25 -2.009 -9.509 -1.206 1.00 62.30 C ATOM 395 O GLU A 25 -1.896 -10.634 -0.706 1.00 3.22 O ATOM 396 CB GLU A 25 -0.604 -8.695 -3.121 1.00 62.21 C ATOM 397 CG GLU A 25 -0.363 -8.616 -4.627 1.00 0.33 C ATOM 398 CD GLU A 25 0.938 -7.904 -4.973 1.00 73.45 C ATOM 399 OE1 GLU A 25 0.927 -6.656 -5.069 1.00 12.13 O ATOM 400 OE2 GLU A 25 1.976 -8.583 -5.134 1.00 71.03 O ATOM 0 H GLU A 25 -2.766 -7.642 -3.715 1.00 4.14 H new ATOM 0 HA GLU A 25 -2.056 -10.290 -3.205 1.00 31.01 H new ATOM 0 HB2 GLU A 25 -0.543 -7.691 -2.702 1.00 62.21 H new ATOM 0 HB3 GLU A 25 0.196 -9.279 -2.667 1.00 62.21 H new ATOM 0 HG2 GLU A 25 -0.343 -9.624 -5.042 1.00 0.33 H new ATOM 0 HG3 GLU A 25 -1.196 -8.094 -5.098 1.00 0.33 H new ATOM 407 N ILE A 26 -2.180 -8.406 -0.479 1.00 20.32 N ATOM 408 CA ILE A 26 -2.296 -8.447 0.985 1.00 62.52 C ATOM 409 C ILE A 26 -3.433 -9.385 1.429 1.00 72.21 C ATOM 410 O ILE A 26 -3.240 -10.259 2.275 1.00 71.31 O ATOM 411 CB ILE A 26 -2.545 -7.031 1.571 1.00 40.21 C ATOM 412 CG1 ILE A 26 -1.433 -6.054 1.144 1.00 45.22 C ATOM 413 CG2 ILE A 26 -2.656 -7.082 3.094 1.00 1.22 C ATOM 414 CD1 ILE A 26 -0.044 -6.451 1.604 1.00 23.31 C ATOM 0 H ILE A 26 -2.242 -7.469 -0.877 1.00 20.32 H new ATOM 0 HA ILE A 26 -1.349 -8.829 1.367 1.00 62.52 H new ATOM 0 HB ILE A 26 -3.491 -6.667 1.171 1.00 40.21 H new ATOM 0 HG12 ILE A 26 -1.434 -5.973 0.057 1.00 45.22 H new ATOM 0 HG13 ILE A 26 -1.664 -5.064 1.537 1.00 45.22 H new ATOM 0 HG21 ILE A 26 -2.830 -6.078 3.480 1.00 1.22 H new ATOM 0 HG22 ILE A 26 -3.487 -7.729 3.377 1.00 1.22 H new ATOM 0 HG23 ILE A 26 -1.730 -7.476 3.513 1.00 1.22 H new ATOM 0 HD11 ILE A 26 0.678 -5.710 1.261 1.00 23.31 H new ATOM 0 HD12 ILE A 26 -0.022 -6.503 2.693 1.00 23.31 H new ATOM 0 HD13 ILE A 26 0.212 -7.426 1.189 1.00 23.31 H new ATOM 426 N ALA A 27 -4.611 -9.201 0.835 1.00 33.23 N ATOM 427 CA ALA A 27 -5.788 -10.018 1.158 1.00 54.12 C ATOM 428 C ALA A 27 -5.549 -11.515 0.878 1.00 10.50 C ATOM 429 O ALA A 27 -5.849 -12.372 1.716 1.00 22.35 O ATOM 430 CB ALA A 27 -6.994 -9.514 0.372 1.00 41.35 C ATOM 0 H ALA A 27 -4.780 -8.490 0.123 1.00 33.23 H new ATOM 0 HA ALA A 27 -5.981 -9.920 2.226 1.00 54.12 H new ATOM 0 HB1 ALA A 27 -7.866 -10.122 0.614 1.00 41.35 H new ATOM 0 HB2 ALA A 27 -7.192 -8.475 0.636 1.00 41.35 H new ATOM 0 HB3 ALA A 27 -6.787 -9.584 -0.696 1.00 41.35 H new ATOM 436 N LYS A 28 -4.998 -11.821 -0.301 1.00 3.05 N ATOM 437 CA LYS A 28 -4.713 -13.210 -0.695 1.00 30.22 C ATOM 438 C LYS A 28 -3.821 -13.922 0.338 1.00 64.20 C ATOM 439 O LYS A 28 -4.214 -14.934 0.922 1.00 13.41 O ATOM 440 CB LYS A 28 -4.034 -13.249 -2.073 1.00 55.04 C ATOM 441 CG LYS A 28 -4.905 -12.738 -3.218 1.00 32.42 C ATOM 442 CD LYS A 28 -4.149 -12.732 -4.547 1.00 3.12 C ATOM 443 CE LYS A 28 -3.744 -14.137 -4.985 1.00 42.13 C ATOM 444 NZ LYS A 28 -4.924 -15.019 -5.196 1.00 25.42 N ATOM 0 H LYS A 28 -4.739 -11.127 -1.002 1.00 3.05 H new ATOM 0 HA LYS A 28 -5.667 -13.735 -0.743 1.00 30.22 H new ATOM 0 HB2 LYS A 28 -3.122 -12.654 -2.032 1.00 55.04 H new ATOM 0 HB3 LYS A 28 -3.736 -14.275 -2.289 1.00 55.04 H new ATOM 0 HG2 LYS A 28 -5.792 -13.365 -3.307 1.00 32.42 H new ATOM 0 HG3 LYS A 28 -5.249 -11.729 -2.991 1.00 32.42 H new ATOM 0 HD2 LYS A 28 -4.774 -12.279 -5.317 1.00 3.12 H new ATOM 0 HD3 LYS A 28 -3.258 -12.111 -4.454 1.00 3.12 H new ATOM 0 HE2 LYS A 28 -3.167 -14.077 -5.908 1.00 42.13 H new ATOM 0 HE3 LYS A 28 -3.093 -14.578 -4.230 1.00 42.13 H new ATOM 0 HZ1 LYS A 28 -4.622 -15.896 -5.667 1.00 25.42 H new ATOM 0 HZ2 LYS A 28 -5.354 -15.250 -4.277 1.00 25.42 H new ATOM 0 HZ3 LYS A 28 -5.622 -14.529 -5.791 1.00 25.42 H new ATOM 458 N MET A 29 -2.627 -13.373 0.568 1.00 44.21 N ATOM 459 CA MET A 29 -1.651 -13.980 1.482 1.00 40.01 C ATOM 460 C MET A 29 -2.136 -13.974 2.942 1.00 64.44 C ATOM 461 O MET A 29 -1.759 -14.842 3.733 1.00 1.02 O ATOM 462 CB MET A 29 -0.297 -13.263 1.359 1.00 44.23 C ATOM 463 CG MET A 29 0.389 -13.494 0.015 1.00 41.04 C ATOM 464 SD MET A 29 1.912 -12.546 -0.174 1.00 4.11 S ATOM 465 CE MET A 29 1.271 -10.874 -0.176 1.00 11.22 C ATOM 0 H MET A 29 -2.310 -12.506 0.134 1.00 44.21 H new ATOM 0 HA MET A 29 -1.534 -15.024 1.191 1.00 40.01 H new ATOM 0 HB2 MET A 29 -0.446 -12.193 1.504 1.00 44.23 H new ATOM 0 HB3 MET A 29 0.361 -13.604 2.158 1.00 44.23 H new ATOM 0 HG2 MET A 29 0.613 -14.555 -0.094 1.00 41.04 H new ATOM 0 HG3 MET A 29 -0.299 -13.229 -0.788 1.00 41.04 H new ATOM 0 HE1 MET A 29 1.987 -10.210 -0.661 1.00 11.22 H new ATOM 0 HE2 MET A 29 0.326 -10.847 -0.719 1.00 11.22 H new ATOM 0 HE3 MET A 29 1.109 -10.545 0.851 1.00 11.22 H new ATOM 475 N ALA A 30 -2.973 -12.998 3.298 1.00 3.25 N ATOM 476 CA ALA A 30 -3.564 -12.934 4.640 1.00 22.33 C ATOM 477 C ALA A 30 -4.569 -14.076 4.871 1.00 15.10 C ATOM 478 O ALA A 30 -4.777 -14.515 6.005 1.00 73.31 O ATOM 479 CB ALA A 30 -4.241 -11.584 4.853 1.00 21.23 C ATOM 0 H ALA A 30 -3.258 -12.240 2.677 1.00 3.25 H new ATOM 0 HA ALA A 30 -2.758 -13.049 5.365 1.00 22.33 H new ATOM 0 HB1 ALA A 30 -4.676 -11.549 5.852 1.00 21.23 H new ATOM 0 HB2 ALA A 30 -3.504 -10.787 4.749 1.00 21.23 H new ATOM 0 HB3 ALA A 30 -5.027 -11.450 4.110 1.00 21.23 H new ATOM 485 N GLY A 31 -5.186 -14.550 3.788 1.00 4.00 N ATOM 486 CA GLY A 31 -6.162 -15.634 3.883 1.00 2.44 C ATOM 487 C GLY A 31 -7.602 -15.162 3.690 1.00 54.42 C ATOM 488 O GLY A 31 -8.545 -15.849 4.084 1.00 72.23 O ATOM 0 H GLY A 31 -5.028 -14.203 2.842 1.00 4.00 H new ATOM 0 HA2 GLY A 31 -5.930 -16.390 3.133 1.00 2.44 H new ATOM 0 HA3 GLY A 31 -6.070 -16.113 4.858 1.00 2.44 H new ATOM 492 N TYR A 32 -7.774 -13.987 3.081 1.00 2.33 N ATOM 493 CA TYR A 32 -9.109 -13.428 2.828 1.00 35.23 C ATOM 494 C TYR A 32 -9.247 -12.954 1.367 1.00 1.51 C ATOM 495 O TYR A 32 -9.071 -11.771 1.070 1.00 53.15 O ATOM 496 CB TYR A 32 -9.395 -12.253 3.781 1.00 35.32 C ATOM 497 CG TYR A 32 -9.321 -12.609 5.258 1.00 41.53 C ATOM 498 CD1 TYR A 32 -10.438 -13.083 5.943 1.00 23.04 C ATOM 499 CD2 TYR A 32 -8.134 -12.466 5.966 1.00 32.32 C ATOM 500 CE1 TYR A 32 -10.368 -13.402 7.289 1.00 54.43 C ATOM 501 CE2 TYR A 32 -8.060 -12.782 7.307 1.00 14.05 C ATOM 502 CZ TYR A 32 -9.175 -13.249 7.967 1.00 21.25 C ATOM 503 OH TYR A 32 -9.096 -13.560 9.311 1.00 4.45 O ATOM 0 H TYR A 32 -7.006 -13.401 2.752 1.00 2.33 H new ATOM 0 HA TYR A 32 -9.836 -14.220 3.007 1.00 35.23 H new ATOM 0 HB2 TYR A 32 -8.683 -11.454 3.576 1.00 35.32 H new ATOM 0 HB3 TYR A 32 -10.388 -11.859 3.564 1.00 35.32 H new ATOM 0 HD1 TYR A 32 -11.373 -13.204 5.416 1.00 23.04 H new ATOM 0 HD2 TYR A 32 -7.254 -12.101 5.458 1.00 32.32 H new ATOM 0 HE1 TYR A 32 -11.243 -13.769 7.806 1.00 54.43 H new ATOM 0 HE2 TYR A 32 -7.128 -12.663 7.839 1.00 14.05 H new ATOM 0 HH TYR A 32 -8.185 -13.395 9.632 1.00 4.45 H new ATOM 513 N PRO A 33 -9.551 -13.871 0.426 1.00 64.14 N ATOM 514 CA PRO A 33 -9.718 -13.515 -0.994 1.00 70.42 C ATOM 515 C PRO A 33 -10.978 -12.665 -1.246 1.00 73.41 C ATOM 516 O PRO A 33 -12.053 -12.950 -0.710 1.00 21.30 O ATOM 517 CB PRO A 33 -9.822 -14.880 -1.691 1.00 41.12 C ATOM 518 CG PRO A 33 -10.326 -15.810 -0.637 1.00 71.22 C ATOM 519 CD PRO A 33 -9.744 -15.318 0.664 1.00 30.03 C ATOM 0 HA PRO A 33 -8.897 -12.900 -1.362 1.00 70.42 H new ATOM 0 HB2 PRO A 33 -10.503 -14.839 -2.541 1.00 41.12 H new ATOM 0 HB3 PRO A 33 -8.854 -15.203 -2.074 1.00 41.12 H new ATOM 0 HG2 PRO A 33 -11.415 -15.807 -0.603 1.00 71.22 H new ATOM 0 HG3 PRO A 33 -10.016 -16.835 -0.840 1.00 71.22 H new ATOM 0 HD2 PRO A 33 -10.418 -15.501 1.501 1.00 30.03 H new ATOM 0 HD3 PRO A 33 -8.803 -15.816 0.897 1.00 30.03 H new ATOM 527 N GLY A 34 -10.839 -11.619 -2.061 1.00 24.33 N ATOM 528 CA GLY A 34 -11.965 -10.732 -2.346 1.00 35.01 C ATOM 529 C GLY A 34 -12.274 -9.755 -1.212 1.00 55.52 C ATOM 530 O GLY A 34 -13.382 -9.222 -1.127 1.00 63.23 O ATOM 0 H GLY A 34 -9.969 -11.368 -2.530 1.00 24.33 H new ATOM 0 HA2 GLY A 34 -11.752 -10.167 -3.253 1.00 35.01 H new ATOM 0 HA3 GLY A 34 -12.851 -11.335 -2.547 1.00 35.01 H new ATOM 534 N TYR A 35 -11.297 -9.524 -0.337 1.00 44.53 N ATOM 535 CA TYR A 35 -11.447 -8.569 0.772 1.00 43.23 C ATOM 536 C TYR A 35 -10.580 -7.313 0.580 1.00 50.11 C ATOM 537 O TYR A 35 -10.463 -6.494 1.493 1.00 45.13 O ATOM 538 CB TYR A 35 -11.102 -9.238 2.107 1.00 15.43 C ATOM 539 CG TYR A 35 -12.214 -10.099 2.677 1.00 2.03 C ATOM 540 CD1 TYR A 35 -12.452 -11.380 2.195 1.00 62.42 C ATOM 541 CD2 TYR A 35 -13.018 -9.628 3.710 1.00 72.21 C ATOM 542 CE1 TYR A 35 -13.456 -12.165 2.728 1.00 72.15 C ATOM 543 CE2 TYR A 35 -14.024 -10.407 4.243 1.00 42.21 C ATOM 544 CZ TYR A 35 -14.240 -11.673 3.750 1.00 0.41 C ATOM 545 OH TYR A 35 -15.240 -12.455 4.287 1.00 24.44 O ATOM 0 H TYR A 35 -10.388 -9.985 -0.371 1.00 44.53 H new ATOM 0 HA TYR A 35 -12.490 -8.254 0.781 1.00 43.23 H new ATOM 0 HB2 TYR A 35 -10.213 -9.854 1.973 1.00 15.43 H new ATOM 0 HB3 TYR A 35 -10.848 -8.465 2.833 1.00 15.43 H new ATOM 0 HD1 TYR A 35 -11.843 -11.768 1.392 1.00 62.42 H new ATOM 0 HD2 TYR A 35 -12.852 -8.635 4.101 1.00 72.21 H new ATOM 0 HE1 TYR A 35 -13.626 -13.161 2.346 1.00 72.15 H new ATOM 0 HE2 TYR A 35 -14.639 -10.025 5.044 1.00 42.21 H new ATOM 0 HH TYR A 35 -15.697 -11.959 4.998 1.00 24.44 H new ATOM 555 N ALA A 36 -9.990 -7.156 -0.606 1.00 62.24 N ATOM 556 CA ALA A 36 -9.161 -5.977 -0.917 1.00 24.12 C ATOM 557 C ALA A 36 -9.930 -4.674 -0.645 1.00 74.45 C ATOM 558 O ALA A 36 -9.374 -3.696 -0.135 1.00 3.05 O ATOM 559 CB ALA A 36 -8.694 -6.032 -2.369 1.00 44.34 C ATOM 0 H ALA A 36 -10.067 -7.827 -1.371 1.00 62.24 H new ATOM 0 HA ALA A 36 -8.287 -5.991 -0.266 1.00 24.12 H new ATOM 0 HB1 ALA A 36 -8.083 -5.157 -2.588 1.00 44.34 H new ATOM 0 HB2 ALA A 36 -8.105 -6.935 -2.528 1.00 44.34 H new ATOM 0 HB3 ALA A 36 -9.561 -6.044 -3.030 1.00 44.34 H new ATOM 565 N ARG A 37 -11.213 -4.686 -0.992 1.00 32.13 N ATOM 566 CA ARG A 37 -12.140 -3.592 -0.678 1.00 15.42 C ATOM 567 C ARG A 37 -12.093 -3.209 0.814 1.00 63.12 C ATOM 568 O ARG A 37 -11.995 -2.027 1.163 1.00 34.15 O ATOM 569 CB ARG A 37 -13.565 -4.019 -1.076 1.00 31.24 C ATOM 570 CG ARG A 37 -13.907 -5.448 -0.651 1.00 30.51 C ATOM 571 CD ARG A 37 -15.295 -5.882 -1.111 1.00 1.44 C ATOM 572 NE ARG A 37 -15.459 -7.336 -1.015 1.00 64.34 N ATOM 573 CZ ARG A 37 -16.537 -7.943 -0.597 1.00 73.32 C ATOM 574 NH1 ARG A 37 -17.578 -7.270 -0.216 1.00 11.31 N ATOM 575 NH2 ARG A 37 -16.565 -9.237 -0.560 1.00 12.13 N ATOM 0 H ARG A 37 -11.646 -5.456 -1.502 1.00 32.13 H new ATOM 0 HA ARG A 37 -11.840 -2.710 -1.243 1.00 15.42 H new ATOM 0 HB2 ARG A 37 -14.282 -3.332 -0.627 1.00 31.24 H new ATOM 0 HB3 ARG A 37 -13.675 -3.932 -2.157 1.00 31.24 H new ATOM 0 HG2 ARG A 37 -13.163 -6.132 -1.059 1.00 30.51 H new ATOM 0 HG3 ARG A 37 -13.848 -5.524 0.435 1.00 30.51 H new ATOM 0 HD2 ARG A 37 -16.053 -5.388 -0.503 1.00 1.44 H new ATOM 0 HD3 ARG A 37 -15.455 -5.563 -2.141 1.00 1.44 H new ATOM 0 HE ARG A 37 -14.670 -7.918 -1.296 1.00 64.34 H new ATOM 0 HH11 ARG A 37 -17.563 -6.250 -0.240 1.00 11.31 H new ATOM 0 HH12 ARG A 37 -18.412 -7.760 0.108 1.00 11.31 H new ATOM 0 HH21 ARG A 37 -15.749 -9.773 -0.856 1.00 12.13 H new ATOM 0 HH22 ARG A 37 -17.403 -9.720 -0.235 1.00 12.13 H new ATOM 589 N HIS A 38 -12.142 -4.216 1.687 1.00 4.13 N ATOM 590 CA HIS A 38 -12.140 -3.994 3.136 1.00 1.21 C ATOM 591 C HIS A 38 -10.748 -3.589 3.648 1.00 12.21 C ATOM 592 O HIS A 38 -10.631 -2.778 4.568 1.00 25.20 O ATOM 593 CB HIS A 38 -12.629 -5.251 3.864 1.00 73.51 C ATOM 594 CG HIS A 38 -14.048 -5.615 3.538 1.00 74.32 C ATOM 595 ND1 HIS A 38 -14.355 -6.723 2.788 1.00 63.14 N ATOM 596 CD2 HIS A 38 -15.196 -4.986 3.885 1.00 23.13 C ATOM 597 CE1 HIS A 38 -15.673 -6.747 2.697 1.00 21.51 C ATOM 598 NE2 HIS A 38 -16.226 -5.714 3.345 1.00 45.55 N ATOM 0 H HIS A 38 -12.184 -5.198 1.415 1.00 4.13 H new ATOM 0 HA HIS A 38 -12.821 -3.169 3.346 1.00 1.21 H new ATOM 0 HB2 HIS A 38 -11.979 -6.087 3.606 1.00 73.51 H new ATOM 0 HB3 HIS A 38 -12.539 -5.097 4.939 1.00 73.51 H new ATOM 0 HD1 HIS A 38 -13.699 -7.391 2.383 1.00 63.14 H new ATOM 0 HD2 HIS A 38 -15.284 -4.085 4.474 1.00 23.13 H new ATOM 0 HE1 HIS A 38 -16.233 -7.504 2.167 1.00 21.51 H new ATOM 606 N VAL A 39 -9.694 -4.152 3.053 1.00 33.42 N ATOM 607 CA VAL A 39 -8.320 -3.780 3.418 1.00 12.22 C ATOM 608 C VAL A 39 -8.078 -2.280 3.168 1.00 33.02 C ATOM 609 O VAL A 39 -7.467 -1.588 3.986 1.00 11.34 O ATOM 610 CB VAL A 39 -7.266 -4.611 2.638 1.00 62.35 C ATOM 611 CG1 VAL A 39 -5.849 -4.279 3.110 1.00 14.30 C ATOM 612 CG2 VAL A 39 -7.539 -6.108 2.771 1.00 23.50 C ATOM 0 H VAL A 39 -9.761 -4.861 2.323 1.00 33.42 H new ATOM 0 HA VAL A 39 -8.205 -3.996 4.480 1.00 12.22 H new ATOM 0 HB VAL A 39 -7.346 -4.344 1.584 1.00 62.35 H new ATOM 0 HG11 VAL A 39 -5.129 -4.874 2.548 1.00 14.30 H new ATOM 0 HG12 VAL A 39 -5.650 -3.220 2.947 1.00 14.30 H new ATOM 0 HG13 VAL A 39 -5.757 -4.506 4.172 1.00 14.30 H new ATOM 0 HG21 VAL A 39 -6.786 -6.666 2.215 1.00 23.50 H new ATOM 0 HG22 VAL A 39 -7.499 -6.393 3.822 1.00 23.50 H new ATOM 0 HG23 VAL A 39 -8.527 -6.335 2.371 1.00 23.50 H new ATOM 622 N GLY A 40 -8.579 -1.783 2.033 1.00 31.33 N ATOM 623 CA GLY A 40 -8.520 -0.351 1.741 1.00 42.10 C ATOM 624 C GLY A 40 -9.327 0.483 2.730 1.00 24.10 C ATOM 625 O GLY A 40 -8.921 1.583 3.117 1.00 33.04 O ATOM 0 H GLY A 40 -9.025 -2.346 1.309 1.00 31.33 H new ATOM 0 HA2 GLY A 40 -7.481 -0.023 1.758 1.00 42.10 H new ATOM 0 HA3 GLY A 40 -8.894 -0.174 0.732 1.00 42.10 H new ATOM 629 N LYS A 41 -10.474 -0.051 3.143 1.00 23.22 N ATOM 630 CA LYS A 41 -11.318 0.592 4.155 1.00 23.10 C ATOM 631 C LYS A 41 -10.608 0.642 5.523 1.00 1.11 C ATOM 632 O LYS A 41 -10.822 1.562 6.316 1.00 2.40 O ATOM 633 CB LYS A 41 -12.650 -0.167 4.275 1.00 35.11 C ATOM 634 CG LYS A 41 -13.616 0.423 5.298 1.00 22.22 C ATOM 635 CD LYS A 41 -14.039 1.843 4.929 1.00 61.51 C ATOM 636 CE LYS A 41 -14.977 2.440 5.969 1.00 2.34 C ATOM 637 NZ LYS A 41 -14.340 2.524 7.308 1.00 13.04 N ATOM 0 H LYS A 41 -10.845 -0.934 2.791 1.00 23.22 H new ATOM 0 HA LYS A 41 -11.512 1.618 3.841 1.00 23.10 H new ATOM 0 HB2 LYS A 41 -13.136 -0.182 3.299 1.00 35.11 H new ATOM 0 HB3 LYS A 41 -12.442 -1.203 4.543 1.00 35.11 H new ATOM 0 HG2 LYS A 41 -14.499 -0.211 5.371 1.00 22.22 H new ATOM 0 HG3 LYS A 41 -13.145 0.428 6.281 1.00 22.22 H new ATOM 0 HD2 LYS A 41 -13.154 2.473 4.833 1.00 61.51 H new ATOM 0 HD3 LYS A 41 -14.532 1.835 3.957 1.00 61.51 H new ATOM 0 HE2 LYS A 41 -15.285 3.436 5.651 1.00 2.34 H new ATOM 0 HE3 LYS A 41 -15.880 1.833 6.034 1.00 2.34 H new ATOM 0 HZ1 LYS A 41 -14.907 3.141 7.924 1.00 13.04 H new ATOM 0 HZ2 LYS A 41 -14.285 1.573 7.726 1.00 13.04 H new ATOM 0 HZ3 LYS A 41 -13.382 2.916 7.213 1.00 13.04 H new ATOM 651 N ALA A 42 -9.759 -0.351 5.786 1.00 53.31 N ATOM 652 CA ALA A 42 -9.000 -0.417 7.040 1.00 65.22 C ATOM 653 C ALA A 42 -7.844 0.595 7.049 1.00 42.12 C ATOM 654 O ALA A 42 -7.773 1.464 7.918 1.00 12.01 O ATOM 655 CB ALA A 42 -8.475 -1.833 7.261 1.00 24.21 C ATOM 0 H ALA A 42 -9.577 -1.125 5.146 1.00 53.31 H new ATOM 0 HA ALA A 42 -9.672 -0.157 7.857 1.00 65.22 H new ATOM 0 HB1 ALA A 42 -7.913 -1.871 8.194 1.00 24.21 H new ATOM 0 HB2 ALA A 42 -9.313 -2.528 7.313 1.00 24.21 H new ATOM 0 HB3 ALA A 42 -7.823 -2.113 6.433 1.00 24.21 H new ATOM 661 N LEU A 43 -6.950 0.487 6.067 1.00 53.45 N ATOM 662 CA LEU A 43 -5.775 1.368 5.986 1.00 42.23 C ATOM 663 C LEU A 43 -6.168 2.839 5.779 1.00 42.33 C ATOM 664 O LEU A 43 -5.485 3.747 6.253 1.00 54.12 O ATOM 665 CB LEU A 43 -4.839 0.903 4.862 1.00 3.40 C ATOM 666 CG LEU A 43 -4.288 -0.525 5.025 1.00 23.22 C ATOM 667 CD1 LEU A 43 -3.310 -0.861 3.907 1.00 41.13 C ATOM 668 CD2 LEU A 43 -3.630 -0.701 6.392 1.00 72.44 C ATOM 0 H LEU A 43 -7.013 -0.199 5.315 1.00 53.45 H new ATOM 0 HA LEU A 43 -5.252 1.303 6.940 1.00 42.23 H new ATOM 0 HB2 LEU A 43 -5.375 0.964 3.915 1.00 3.40 H new ATOM 0 HB3 LEU A 43 -4.000 1.595 4.799 1.00 3.40 H new ATOM 0 HG LEU A 43 -5.126 -1.219 4.960 1.00 23.22 H new ATOM 0 HD11 LEU A 43 -2.935 -1.875 4.044 1.00 41.13 H new ATOM 0 HD12 LEU A 43 -3.818 -0.789 2.945 1.00 41.13 H new ATOM 0 HD13 LEU A 43 -2.476 -0.159 3.930 1.00 41.13 H new ATOM 0 HD21 LEU A 43 -3.248 -1.718 6.484 1.00 72.44 H new ATOM 0 HD22 LEU A 43 -2.807 0.006 6.493 1.00 72.44 H new ATOM 0 HD23 LEU A 43 -4.365 -0.517 7.176 1.00 72.44 H new ATOM 680 N GLY A 44 -7.278 3.071 5.082 1.00 45.42 N ATOM 681 CA GLY A 44 -7.766 4.432 4.878 1.00 73.22 C ATOM 682 C GLY A 44 -8.236 5.105 6.171 1.00 53.22 C ATOM 683 O GLY A 44 -8.494 6.307 6.194 1.00 51.24 O ATOM 0 H GLY A 44 -7.850 2.344 4.654 1.00 45.42 H new ATOM 0 HA2 GLY A 44 -6.973 5.032 4.431 1.00 73.22 H new ATOM 0 HA3 GLY A 44 -8.591 4.412 4.166 1.00 73.22 H new ATOM 687 N ASN A 45 -8.347 4.328 7.248 1.00 41.43 N ATOM 688 CA ASN A 45 -8.795 4.847 8.545 1.00 74.34 C ATOM 689 C ASN A 45 -7.601 5.014 9.513 1.00 44.25 C ATOM 690 O ASN A 45 -7.782 5.205 10.717 1.00 3.02 O ATOM 691 CB ASN A 45 -9.845 3.887 9.139 1.00 13.53 C ATOM 692 CG ASN A 45 -10.843 4.555 10.084 1.00 44.15 C ATOM 693 OD1 ASN A 45 -11.989 4.129 10.193 1.00 23.33 O ATOM 694 ND2 ASN A 45 -10.432 5.598 10.775 1.00 65.13 N ATOM 0 H ASN A 45 -8.132 3.331 7.250 1.00 41.43 H new ATOM 0 HA ASN A 45 -9.244 5.830 8.401 1.00 74.34 H new ATOM 0 HB2 ASN A 45 -10.394 3.417 8.323 1.00 13.53 H new ATOM 0 HB3 ASN A 45 -9.330 3.091 9.677 1.00 13.53 H new ATOM 0 HD21 ASN A 45 -11.070 6.069 11.416 1.00 65.13 H new ATOM 0 HD22 ASN A 45 -9.475 5.935 10.669 1.00 65.13 H new ATOM 701 N LEU A 46 -6.379 4.950 8.983 1.00 63.33 N ATOM 702 CA LEU A 46 -5.167 5.073 9.810 1.00 32.35 C ATOM 703 C LEU A 46 -4.610 6.511 9.818 1.00 73.32 C ATOM 704 O LEU A 46 -4.798 7.269 8.860 1.00 22.35 O ATOM 705 CB LEU A 46 -4.087 4.098 9.320 1.00 41.01 C ATOM 706 CG LEU A 46 -4.440 2.605 9.439 1.00 33.41 C ATOM 707 CD1 LEU A 46 -3.281 1.740 8.957 1.00 23.32 C ATOM 708 CD2 LEU A 46 -4.821 2.244 10.875 1.00 4.53 C ATOM 0 H LEU A 46 -6.197 4.814 7.989 1.00 63.33 H new ATOM 0 HA LEU A 46 -5.449 4.823 10.833 1.00 32.35 H new ATOM 0 HB2 LEU A 46 -3.869 4.320 8.275 1.00 41.01 H new ATOM 0 HB3 LEU A 46 -3.172 4.283 9.883 1.00 41.01 H new ATOM 0 HG LEU A 46 -5.303 2.411 8.803 1.00 33.41 H new ATOM 0 HD11 LEU A 46 -3.550 0.688 9.049 1.00 23.32 H new ATOM 0 HD12 LEU A 46 -3.065 1.970 7.914 1.00 23.32 H new ATOM 0 HD13 LEU A 46 -2.398 1.943 9.563 1.00 23.32 H new ATOM 0 HD21 LEU A 46 -5.066 1.183 10.931 1.00 4.53 H new ATOM 0 HD22 LEU A 46 -3.983 2.458 11.539 1.00 4.53 H new ATOM 0 HD23 LEU A 46 -5.686 2.833 11.181 1.00 4.53 H new ATOM 720 N PRO A 47 -3.925 6.908 10.914 1.00 63.04 N ATOM 721 CA PRO A 47 -3.315 8.239 11.032 1.00 74.14 C ATOM 722 C PRO A 47 -1.900 8.323 10.423 1.00 20.41 C ATOM 723 O PRO A 47 -1.367 7.338 9.908 1.00 15.11 O ATOM 724 CB PRO A 47 -3.267 8.433 12.549 1.00 41.21 C ATOM 725 CG PRO A 47 -3.033 7.060 13.093 1.00 3.21 C ATOM 726 CD PRO A 47 -3.706 6.101 12.136 1.00 24.21 C ATOM 0 HA PRO A 47 -3.875 9.001 10.490 1.00 74.14 H new ATOM 0 HB2 PRO A 47 -2.468 9.116 12.837 1.00 41.21 H new ATOM 0 HB3 PRO A 47 -4.199 8.856 12.925 1.00 41.21 H new ATOM 0 HG2 PRO A 47 -1.966 6.849 13.168 1.00 3.21 H new ATOM 0 HG3 PRO A 47 -3.449 6.964 14.096 1.00 3.21 H new ATOM 0 HD2 PRO A 47 -3.078 5.233 11.934 1.00 24.21 H new ATOM 0 HD3 PRO A 47 -4.646 5.727 12.541 1.00 24.21 H new ATOM 734 N GLU A 48 -1.291 9.506 10.508 1.00 50.11 N ATOM 735 CA GLU A 48 0.034 9.751 9.920 1.00 42.24 C ATOM 736 C GLU A 48 1.179 9.200 10.795 1.00 13.14 C ATOM 737 O GLU A 48 2.211 8.766 10.280 1.00 52.31 O ATOM 738 CB GLU A 48 0.238 11.258 9.704 1.00 70.01 C ATOM 739 CG GLU A 48 -0.775 11.901 8.760 1.00 3.52 C ATOM 740 CD GLU A 48 -0.563 13.401 8.621 1.00 13.34 C ATOM 741 OE1 GLU A 48 0.319 13.814 7.837 1.00 34.11 O ATOM 742 OE2 GLU A 48 -1.257 14.173 9.317 1.00 33.53 O ATOM 0 H GLU A 48 -1.693 10.316 10.980 1.00 50.11 H new ATOM 0 HA GLU A 48 0.064 9.223 8.967 1.00 42.24 H new ATOM 0 HB2 GLU A 48 0.188 11.761 10.669 1.00 70.01 H new ATOM 0 HB3 GLU A 48 1.241 11.424 9.310 1.00 70.01 H new ATOM 0 HG2 GLU A 48 -0.701 11.433 7.778 1.00 3.52 H new ATOM 0 HG3 GLU A 48 -1.783 11.711 9.129 1.00 3.52 H new ATOM 749 N GLY A 49 0.997 9.223 12.114 1.00 53.43 N ATOM 750 CA GLY A 49 2.059 8.799 13.028 1.00 53.11 C ATOM 751 C GLY A 49 1.986 7.324 13.415 1.00 12.30 C ATOM 752 O GLY A 49 2.441 6.937 14.494 1.00 53.41 O ATOM 0 H GLY A 49 0.137 9.526 12.570 1.00 53.43 H new ATOM 0 HA2 GLY A 49 3.025 8.996 12.564 1.00 53.11 H new ATOM 0 HA3 GLY A 49 2.011 9.405 13.933 1.00 53.11 H new ATOM 756 N SER A 50 1.428 6.494 12.539 1.00 62.03 N ATOM 757 CA SER A 50 1.310 5.053 12.803 1.00 74.40 C ATOM 758 C SER A 50 2.612 4.318 12.458 1.00 65.23 C ATOM 759 O SER A 50 3.253 4.613 11.451 1.00 63.04 O ATOM 760 CB SER A 50 0.154 4.449 11.993 1.00 54.45 C ATOM 761 OG SER A 50 0.354 4.624 10.598 1.00 0.00 O ATOM 0 H SER A 50 1.049 6.789 11.639 1.00 62.03 H new ATOM 0 HA SER A 50 1.109 4.930 13.867 1.00 74.40 H new ATOM 0 HB2 SER A 50 0.065 3.386 12.219 1.00 54.45 H new ATOM 0 HB3 SER A 50 -0.784 4.918 12.290 1.00 54.45 H new ATOM 0 HG SER A 50 0.741 3.808 10.218 1.00 0.00 H new ATOM 767 N LYS A 51 2.997 3.355 13.294 1.00 63.41 N ATOM 768 CA LYS A 51 4.202 2.551 13.043 1.00 54.43 C ATOM 769 C LYS A 51 3.935 1.491 11.965 1.00 62.23 C ATOM 770 O LYS A 51 4.856 1.019 11.297 1.00 62.43 O ATOM 771 CB LYS A 51 4.698 1.908 14.347 1.00 13.41 C ATOM 772 CG LYS A 51 5.061 2.939 15.418 1.00 34.01 C ATOM 773 CD LYS A 51 5.716 2.313 16.649 1.00 62.24 C ATOM 774 CE LYS A 51 4.771 1.379 17.393 1.00 10.52 C ATOM 775 NZ LYS A 51 5.399 0.825 18.622 1.00 52.11 N ATOM 0 H LYS A 51 2.497 3.110 14.149 1.00 63.41 H new ATOM 0 HA LYS A 51 4.987 3.209 12.671 1.00 54.43 H new ATOM 0 HB2 LYS A 51 3.926 1.244 14.736 1.00 13.41 H new ATOM 0 HB3 LYS A 51 5.571 1.291 14.133 1.00 13.41 H new ATOM 0 HG2 LYS A 51 5.738 3.678 14.989 1.00 34.01 H new ATOM 0 HG3 LYS A 51 4.160 3.471 15.723 1.00 34.01 H new ATOM 0 HD2 LYS A 51 6.604 1.760 16.344 1.00 62.24 H new ATOM 0 HD3 LYS A 51 6.048 3.103 17.323 1.00 62.24 H new ATOM 0 HE2 LYS A 51 3.862 1.918 17.660 1.00 10.52 H new ATOM 0 HE3 LYS A 51 4.475 0.562 16.736 1.00 10.52 H new ATOM 0 HZ1 LYS A 51 4.726 0.194 19.102 1.00 52.11 H new ATOM 0 HZ2 LYS A 51 6.252 0.289 18.365 1.00 52.11 H new ATOM 0 HZ3 LYS A 51 5.659 1.604 19.260 1.00 52.11 H new ATOM 789 N LEU A 52 2.666 1.122 11.810 1.00 75.43 N ATOM 790 CA LEU A 52 2.223 0.284 10.692 1.00 1.42 C ATOM 791 C LEU A 52 2.292 1.073 9.370 1.00 20.34 C ATOM 792 O LEU A 52 1.594 2.080 9.204 1.00 32.42 O ATOM 793 CB LEU A 52 0.783 -0.195 10.945 1.00 14.43 C ATOM 794 CG LEU A 52 0.110 -0.949 9.780 1.00 53.01 C ATOM 795 CD1 LEU A 52 0.830 -2.260 9.479 1.00 35.31 C ATOM 796 CD2 LEU A 52 -1.364 -1.202 10.089 1.00 23.22 C ATOM 0 H LEU A 52 1.918 1.392 12.449 1.00 75.43 H new ATOM 0 HA LEU A 52 2.882 -0.581 10.614 1.00 1.42 H new ATOM 0 HB2 LEU A 52 0.785 -0.845 11.820 1.00 14.43 H new ATOM 0 HB3 LEU A 52 0.171 0.672 11.193 1.00 14.43 H new ATOM 0 HG LEU A 52 0.177 -0.322 8.891 1.00 53.01 H new ATOM 0 HD11 LEU A 52 0.331 -2.768 8.653 1.00 35.31 H new ATOM 0 HD12 LEU A 52 1.865 -2.052 9.206 1.00 35.31 H new ATOM 0 HD13 LEU A 52 0.809 -2.898 10.363 1.00 35.31 H new ATOM 0 HD21 LEU A 52 -1.824 -1.735 9.257 1.00 23.22 H new ATOM 0 HD22 LEU A 52 -1.448 -1.802 10.995 1.00 23.22 H new ATOM 0 HD23 LEU A 52 -1.874 -0.250 10.236 1.00 23.22 H new ATOM 808 N PRO A 53 3.148 0.654 8.412 1.00 45.05 N ATOM 809 CA PRO A 53 3.295 1.366 7.137 1.00 0.50 C ATOM 810 C PRO A 53 2.141 1.092 6.155 1.00 63.11 C ATOM 811 O PRO A 53 2.154 0.111 5.412 1.00 54.30 O ATOM 812 CB PRO A 53 4.622 0.819 6.594 1.00 51.01 C ATOM 813 CG PRO A 53 4.709 -0.567 7.145 1.00 43.43 C ATOM 814 CD PRO A 53 4.041 -0.523 8.501 1.00 12.41 C ATOM 0 HA PRO A 53 3.279 2.448 7.267 1.00 0.50 H new ATOM 0 HB2 PRO A 53 4.633 0.814 5.504 1.00 51.01 H new ATOM 0 HB3 PRO A 53 5.465 1.429 6.919 1.00 51.01 H new ATOM 0 HG2 PRO A 53 4.210 -1.279 6.488 1.00 43.43 H new ATOM 0 HG3 PRO A 53 5.747 -0.887 7.232 1.00 43.43 H new ATOM 0 HD2 PRO A 53 3.481 -1.436 8.702 1.00 12.41 H new ATOM 0 HD3 PRO A 53 4.770 -0.413 9.304 1.00 12.41 H new ATOM 822 N TRP A 54 1.152 1.983 6.141 1.00 53.20 N ATOM 823 CA TRP A 54 0.023 1.880 5.207 1.00 30.14 C ATOM 824 C TRP A 54 0.368 2.482 3.837 1.00 34.33 C ATOM 825 O TRP A 54 -0.255 2.159 2.827 1.00 71.45 O ATOM 826 CB TRP A 54 -1.224 2.569 5.793 1.00 74.31 C ATOM 827 CG TRP A 54 -0.972 3.953 6.332 1.00 13.32 C ATOM 828 CD1 TRP A 54 -0.734 4.290 7.635 1.00 62.22 C ATOM 829 CD2 TRP A 54 -0.937 5.183 5.589 1.00 10.52 C ATOM 830 NE1 TRP A 54 -0.550 5.645 7.747 1.00 65.34 N ATOM 831 CE2 TRP A 54 -0.669 6.217 6.507 1.00 13.31 C ATOM 832 CE3 TRP A 54 -1.104 5.510 4.239 1.00 23.44 C ATOM 833 CZ2 TRP A 54 -0.565 7.553 6.118 1.00 53.42 C ATOM 834 CZ3 TRP A 54 -0.998 6.835 3.855 1.00 3.35 C ATOM 835 CH2 TRP A 54 -0.731 7.841 4.790 1.00 71.33 C ATOM 0 H TRP A 54 1.106 2.788 6.766 1.00 53.20 H new ATOM 0 HA TRP A 54 -0.191 0.821 5.062 1.00 30.14 H new ATOM 0 HB2 TRP A 54 -1.990 2.627 5.020 1.00 74.31 H new ATOM 0 HB3 TRP A 54 -1.626 1.948 6.593 1.00 74.31 H new ATOM 0 HD1 TRP A 54 -0.696 3.591 8.457 1.00 62.22 H new ATOM 0 HE1 TRP A 54 -0.356 6.146 8.614 1.00 65.34 H new ATOM 0 HE3 TRP A 54 -1.312 4.741 3.509 1.00 23.44 H new ATOM 0 HZ2 TRP A 54 -0.361 8.331 6.838 1.00 53.42 H new ATOM 0 HZ3 TRP A 54 -1.124 7.097 2.815 1.00 3.35 H new ATOM 0 HH2 TRP A 54 -0.654 8.866 4.457 1.00 71.33 H new ATOM 846 N PHE A 55 1.380 3.346 3.811 1.00 53.43 N ATOM 847 CA PHE A 55 1.768 4.052 2.584 1.00 44.50 C ATOM 848 C PHE A 55 2.354 3.118 1.507 1.00 72.34 C ATOM 849 O PHE A 55 2.513 3.522 0.360 1.00 23.25 O ATOM 850 CB PHE A 55 2.750 5.193 2.908 1.00 71.51 C ATOM 851 CG PHE A 55 3.939 4.789 3.749 1.00 35.40 C ATOM 852 CD1 PHE A 55 5.106 4.324 3.158 1.00 22.24 C ATOM 853 CD2 PHE A 55 3.893 4.893 5.133 1.00 11.44 C ATOM 854 CE1 PHE A 55 6.195 3.968 3.927 1.00 5.02 C ATOM 855 CE2 PHE A 55 4.981 4.536 5.906 1.00 15.22 C ATOM 856 CZ PHE A 55 6.135 4.074 5.302 1.00 1.23 C ATOM 0 H PHE A 55 1.949 3.577 4.625 1.00 53.43 H new ATOM 0 HA PHE A 55 0.854 4.471 2.163 1.00 44.50 H new ATOM 0 HB2 PHE A 55 3.113 5.617 1.972 1.00 71.51 H new ATOM 0 HB3 PHE A 55 2.208 5.983 3.427 1.00 71.51 H new ATOM 0 HD1 PHE A 55 5.162 4.240 2.083 1.00 22.24 H new ATOM 0 HD2 PHE A 55 2.996 5.257 5.611 1.00 11.44 H new ATOM 0 HE1 PHE A 55 7.095 3.606 3.453 1.00 5.02 H new ATOM 0 HE2 PHE A 55 4.930 4.618 6.982 1.00 15.22 H new ATOM 0 HZ PHE A 55 6.988 3.797 5.904 1.00 1.23 H new ATOM 866 N ARG A 56 2.661 1.871 1.868 1.00 24.14 N ATOM 867 CA ARG A 56 3.230 0.917 0.901 1.00 64.14 C ATOM 868 C ARG A 56 2.145 0.122 0.150 1.00 51.43 C ATOM 869 O ARG A 56 2.456 -0.652 -0.755 1.00 33.14 O ATOM 870 CB ARG A 56 4.180 -0.073 1.592 1.00 52.25 C ATOM 871 CG ARG A 56 5.324 0.576 2.370 1.00 51.54 C ATOM 872 CD ARG A 56 6.448 -0.424 2.646 1.00 22.53 C ATOM 873 NE ARG A 56 7.458 0.092 3.567 1.00 44.02 N ATOM 874 CZ ARG A 56 8.208 1.131 3.341 1.00 4.12 C ATOM 875 NH1 ARG A 56 8.134 1.778 2.221 1.00 51.15 N ATOM 876 NH2 ARG A 56 9.051 1.516 4.239 1.00 11.34 N ATOM 0 H ARG A 56 2.530 1.497 2.808 1.00 24.14 H new ATOM 0 HA ARG A 56 3.782 1.517 0.177 1.00 64.14 H new ATOM 0 HB2 ARG A 56 3.601 -0.694 2.275 1.00 52.25 H new ATOM 0 HB3 ARG A 56 4.602 -0.737 0.838 1.00 52.25 H new ATOM 0 HG2 ARG A 56 5.717 1.421 1.805 1.00 51.54 H new ATOM 0 HG3 ARG A 56 4.947 0.971 3.313 1.00 51.54 H new ATOM 0 HD2 ARG A 56 6.021 -1.338 3.059 1.00 22.53 H new ATOM 0 HD3 ARG A 56 6.927 -0.693 1.704 1.00 22.53 H new ATOM 0 HE ARG A 56 7.585 -0.398 4.452 1.00 44.02 H new ATOM 0 HH11 ARG A 56 7.480 1.475 1.499 1.00 51.15 H new ATOM 0 HH12 ARG A 56 8.730 2.590 2.061 1.00 51.15 H new ATOM 0 HH21 ARG A 56 9.126 1.007 5.119 1.00 11.34 H new ATOM 0 HH22 ARG A 56 9.642 2.330 4.068 1.00 11.34 H new ATOM 890 N VAL A 57 0.882 0.300 0.526 1.00 25.43 N ATOM 891 CA VAL A 57 -0.209 -0.480 -0.075 1.00 23.32 C ATOM 892 C VAL A 57 -1.124 0.395 -0.955 1.00 65.45 C ATOM 893 O VAL A 57 -1.753 1.343 -0.476 1.00 74.33 O ATOM 894 CB VAL A 57 -1.057 -1.191 1.011 1.00 4.12 C ATOM 895 CG1 VAL A 57 -2.048 -2.164 0.374 1.00 70.43 C ATOM 896 CG2 VAL A 57 -0.159 -1.913 2.019 1.00 54.35 C ATOM 0 H VAL A 57 0.585 0.969 1.236 1.00 25.43 H new ATOM 0 HA VAL A 57 0.259 -1.233 -0.709 1.00 23.32 H new ATOM 0 HB VAL A 57 -1.624 -0.431 1.548 1.00 4.12 H new ATOM 0 HG11 VAL A 57 -2.632 -2.651 1.155 1.00 70.43 H new ATOM 0 HG12 VAL A 57 -2.716 -1.619 -0.292 1.00 70.43 H new ATOM 0 HG13 VAL A 57 -1.503 -2.917 -0.195 1.00 70.43 H new ATOM 0 HG21 VAL A 57 -0.777 -2.404 2.771 1.00 54.35 H new ATOM 0 HG22 VAL A 57 0.443 -2.659 1.501 1.00 54.35 H new ATOM 0 HG23 VAL A 57 0.497 -1.191 2.504 1.00 54.35 H new ATOM 906 N ILE A 58 -1.198 0.058 -2.244 1.00 62.11 N ATOM 907 CA ILE A 58 -2.001 0.818 -3.215 1.00 73.22 C ATOM 908 C ILE A 58 -3.019 -0.083 -3.944 1.00 44.20 C ATOM 909 O ILE A 58 -3.096 -1.285 -3.685 1.00 41.22 O ATOM 910 CB ILE A 58 -1.095 1.512 -4.261 1.00 21.31 C ATOM 911 CG1 ILE A 58 -0.208 0.479 -4.981 1.00 24.15 C ATOM 912 CG2 ILE A 58 -0.246 2.600 -3.602 1.00 4.44 C ATOM 913 CD1 ILE A 58 0.680 1.078 -6.051 1.00 74.10 C ATOM 0 H ILE A 58 -0.709 -0.742 -2.646 1.00 62.11 H new ATOM 0 HA ILE A 58 -2.546 1.573 -2.649 1.00 73.22 H new ATOM 0 HB ILE A 58 -1.732 1.988 -5.007 1.00 21.31 H new ATOM 0 HG12 ILE A 58 0.417 -0.026 -4.244 1.00 24.15 H new ATOM 0 HG13 ILE A 58 -0.845 -0.281 -5.434 1.00 24.15 H new ATOM 0 HG21 ILE A 58 0.384 3.076 -4.354 1.00 4.44 H new ATOM 0 HG22 ILE A 58 -0.899 3.347 -3.150 1.00 4.44 H new ATOM 0 HG23 ILE A 58 0.383 2.154 -2.832 1.00 4.44 H new ATOM 0 HD11 ILE A 58 1.275 0.290 -6.513 1.00 74.10 H new ATOM 0 HD12 ILE A 58 0.062 1.559 -6.809 1.00 74.10 H new ATOM 0 HD13 ILE A 58 1.343 1.817 -5.602 1.00 74.10 H new ATOM 925 N ASN A 59 -3.806 0.502 -4.856 1.00 12.33 N ATOM 926 CA ASN A 59 -4.845 -0.255 -5.579 1.00 0.33 C ATOM 927 C ASN A 59 -4.309 -0.914 -6.871 1.00 32.05 C ATOM 928 O ASN A 59 -3.210 -0.607 -7.338 1.00 61.32 O ATOM 929 CB ASN A 59 -6.061 0.640 -5.874 1.00 1.44 C ATOM 930 CG ASN A 59 -5.699 1.930 -6.588 1.00 44.15 C ATOM 931 OD1 ASN A 59 -5.410 2.939 -5.961 1.00 12.34 O ATOM 932 ND2 ASN A 59 -5.733 1.915 -7.905 1.00 40.31 N ATOM 0 H ASN A 59 -3.747 1.488 -5.112 1.00 12.33 H new ATOM 0 HA ASN A 59 -5.162 -1.068 -4.926 1.00 0.33 H new ATOM 0 HB2 ASN A 59 -6.774 0.084 -6.483 1.00 1.44 H new ATOM 0 HB3 ASN A 59 -6.562 0.880 -4.936 1.00 1.44 H new ATOM 0 HD21 ASN A 59 -5.514 2.761 -8.430 1.00 40.31 H new ATOM 0 HD22 ASN A 59 -5.978 1.057 -8.399 1.00 40.31 H new ATOM 939 N SER A 60 -5.122 -1.805 -7.449 1.00 23.21 N ATOM 940 CA SER A 60 -4.698 -2.695 -8.553 1.00 2.25 C ATOM 941 C SER A 60 -4.139 -1.953 -9.779 1.00 23.14 C ATOM 942 O SER A 60 -3.316 -2.502 -10.513 1.00 2.31 O ATOM 943 CB SER A 60 -5.872 -3.585 -8.995 1.00 31.42 C ATOM 944 OG SER A 60 -5.492 -4.494 -10.027 1.00 60.22 O ATOM 0 H SER A 60 -6.094 -1.935 -7.170 1.00 23.21 H new ATOM 0 HA SER A 60 -3.882 -3.295 -8.151 1.00 2.25 H new ATOM 0 HB2 SER A 60 -6.246 -4.145 -8.138 1.00 31.42 H new ATOM 0 HB3 SER A 60 -6.691 -2.957 -9.347 1.00 31.42 H new ATOM 0 HG SER A 60 -6.263 -5.043 -10.280 1.00 60.22 H new ATOM 950 N GLN A 61 -4.592 -0.724 -10.017 1.00 3.11 N ATOM 951 CA GLN A 61 -4.130 0.061 -11.178 1.00 14.21 C ATOM 952 C GLN A 61 -2.669 0.530 -11.036 1.00 11.24 C ATOM 953 O GLN A 61 -2.104 1.098 -11.972 1.00 5.52 O ATOM 954 CB GLN A 61 -5.024 1.291 -11.392 1.00 33.52 C ATOM 955 CG GLN A 61 -6.473 0.969 -11.744 1.00 22.42 C ATOM 956 CD GLN A 61 -7.302 2.218 -12.003 1.00 55.23 C ATOM 957 OE1 GLN A 61 -7.035 3.285 -11.454 1.00 61.44 O ATOM 958 NE2 GLN A 61 -8.321 2.099 -12.827 1.00 33.32 N ATOM 0 H GLN A 61 -5.275 -0.245 -9.430 1.00 3.11 H new ATOM 0 HA GLN A 61 -4.191 -0.606 -12.038 1.00 14.21 H new ATOM 0 HB2 GLN A 61 -5.010 1.896 -10.486 1.00 33.52 H new ATOM 0 HB3 GLN A 61 -4.597 1.900 -12.189 1.00 33.52 H new ATOM 0 HG2 GLN A 61 -6.496 0.332 -12.628 1.00 22.42 H new ATOM 0 HG3 GLN A 61 -6.923 0.400 -10.930 1.00 22.42 H new ATOM 0 HE21 GLN A 61 -8.518 1.201 -13.268 1.00 33.32 H new ATOM 0 HE22 GLN A 61 -8.914 2.905 -13.025 1.00 33.32 H new ATOM 967 N GLY A 62 -2.059 0.291 -9.876 1.00 5.22 N ATOM 968 CA GLY A 62 -0.746 0.865 -9.598 1.00 35.54 C ATOM 969 C GLY A 62 -0.850 2.359 -9.334 1.00 72.40 C ATOM 970 O GLY A 62 -0.127 3.170 -9.920 1.00 10.32 O ATOM 0 H GLY A 62 -2.444 -0.285 -9.127 1.00 5.22 H new ATOM 0 HA2 GLY A 62 -0.304 0.369 -8.734 1.00 35.54 H new ATOM 0 HA3 GLY A 62 -0.081 0.687 -10.443 1.00 35.54 H new ATOM 974 N LYS A 63 -1.770 2.718 -8.446 1.00 53.03 N ATOM 975 CA LYS A 63 -2.116 4.115 -8.189 1.00 20.03 C ATOM 976 C LYS A 63 -2.395 4.338 -6.695 1.00 41.14 C ATOM 977 O LYS A 63 -2.803 3.415 -5.991 1.00 0.25 O ATOM 978 CB LYS A 63 -3.353 4.475 -9.031 1.00 41.22 C ATOM 979 CG LYS A 63 -3.734 5.952 -9.015 1.00 1.43 C ATOM 980 CD LYS A 63 -4.918 6.238 -9.939 1.00 13.24 C ATOM 981 CE LYS A 63 -5.182 7.734 -10.087 1.00 64.51 C ATOM 982 NZ LYS A 63 -6.299 8.013 -11.026 1.00 12.13 N ATOM 0 H LYS A 63 -2.298 2.051 -7.883 1.00 53.03 H new ATOM 0 HA LYS A 63 -1.281 4.758 -8.467 1.00 20.03 H new ATOM 0 HB2 LYS A 63 -3.173 4.173 -10.063 1.00 41.22 H new ATOM 0 HB3 LYS A 63 -4.201 3.892 -8.672 1.00 41.22 H new ATOM 0 HG2 LYS A 63 -3.985 6.253 -7.998 1.00 1.43 H new ATOM 0 HG3 LYS A 63 -2.878 6.552 -9.323 1.00 1.43 H new ATOM 0 HD2 LYS A 63 -4.724 5.806 -10.921 1.00 13.24 H new ATOM 0 HD3 LYS A 63 -5.810 5.750 -9.546 1.00 13.24 H new ATOM 0 HE2 LYS A 63 -5.415 8.159 -9.111 1.00 64.51 H new ATOM 0 HE3 LYS A 63 -4.278 8.228 -10.443 1.00 64.51 H new ATOM 0 HZ1 LYS A 63 -6.444 9.040 -11.097 1.00 12.13 H new ATOM 0 HZ2 LYS A 63 -6.067 7.630 -11.965 1.00 12.13 H new ATOM 0 HZ3 LYS A 63 -7.169 7.564 -10.674 1.00 12.13 H new ATOM 996 N ILE A 64 -2.164 5.557 -6.218 1.00 11.24 N ATOM 997 CA ILE A 64 -2.422 5.901 -4.819 1.00 74.04 C ATOM 998 C ILE A 64 -3.920 5.795 -4.486 1.00 25.42 C ATOM 999 O ILE A 64 -4.758 6.444 -5.117 1.00 5.34 O ATOM 1000 CB ILE A 64 -1.907 7.328 -4.487 1.00 34.13 C ATOM 1001 CG1 ILE A 64 -0.374 7.386 -4.648 1.00 54.40 C ATOM 1002 CG2 ILE A 64 -2.327 7.751 -3.078 1.00 31.30 C ATOM 1003 CD1 ILE A 64 0.236 8.729 -4.301 1.00 63.22 C ATOM 0 H ILE A 64 -1.798 6.326 -6.779 1.00 11.24 H new ATOM 0 HA ILE A 64 -1.878 5.183 -4.205 1.00 74.04 H new ATOM 0 HB ILE A 64 -2.358 8.031 -5.188 1.00 34.13 H new ATOM 0 HG12 ILE A 64 0.076 6.621 -4.015 1.00 54.40 H new ATOM 0 HG13 ILE A 64 -0.118 7.139 -5.678 1.00 54.40 H new ATOM 0 HG21 ILE A 64 -1.953 8.754 -2.873 1.00 31.30 H new ATOM 0 HG22 ILE A 64 -3.415 7.748 -3.006 1.00 31.30 H new ATOM 0 HG23 ILE A 64 -1.913 7.053 -2.350 1.00 31.30 H new ATOM 0 HD11 ILE A 64 1.316 8.685 -4.441 1.00 63.22 H new ATOM 0 HD12 ILE A 64 -0.183 9.498 -4.950 1.00 63.22 H new ATOM 0 HD13 ILE A 64 0.014 8.972 -3.262 1.00 63.22 H new ATOM 1015 N SER A 65 -4.243 4.966 -3.498 1.00 50.45 N ATOM 1016 CA SER A 65 -5.636 4.737 -3.087 1.00 2.42 C ATOM 1017 C SER A 65 -6.275 6.009 -2.515 1.00 33.14 C ATOM 1018 O SER A 65 -7.384 6.391 -2.898 1.00 55.21 O ATOM 1019 CB SER A 65 -5.698 3.627 -2.038 1.00 24.11 C ATOM 1020 OG SER A 65 -4.957 3.983 -0.884 1.00 70.34 O ATOM 0 H SER A 65 -3.558 4.435 -2.960 1.00 50.45 H new ATOM 0 HA SER A 65 -6.195 4.442 -3.975 1.00 2.42 H new ATOM 0 HB2 SER A 65 -6.736 3.436 -1.765 1.00 24.11 H new ATOM 0 HB3 SER A 65 -5.304 2.702 -2.458 1.00 24.11 H new ATOM 0 HG SER A 65 -4.860 3.200 -0.303 1.00 70.34 H new ATOM 1026 N LEU A 66 -5.572 6.655 -1.585 1.00 0.44 N ATOM 1027 CA LEU A 66 -6.030 7.921 -1.001 1.00 53.34 C ATOM 1028 C LEU A 66 -6.121 9.029 -2.064 1.00 72.11 C ATOM 1029 O LEU A 66 -5.549 8.912 -3.151 1.00 13.33 O ATOM 1030 CB LEU A 66 -5.084 8.359 0.129 1.00 73.33 C ATOM 1031 CG LEU A 66 -4.950 7.368 1.298 1.00 32.54 C ATOM 1032 CD1 LEU A 66 -3.983 7.903 2.351 1.00 43.12 C ATOM 1033 CD2 LEU A 66 -6.315 7.069 1.921 1.00 3.32 C ATOM 0 H LEU A 66 -4.680 6.323 -1.217 1.00 0.44 H new ATOM 0 HA LEU A 66 -7.028 7.757 -0.594 1.00 53.34 H new ATOM 0 HB2 LEU A 66 -4.095 8.531 -0.295 1.00 73.33 H new ATOM 0 HB3 LEU A 66 -5.433 9.314 0.522 1.00 73.33 H new ATOM 0 HG LEU A 66 -4.546 6.435 0.904 1.00 32.54 H new ATOM 0 HD11 LEU A 66 -3.903 7.187 3.169 1.00 43.12 H new ATOM 0 HD12 LEU A 66 -3.001 8.052 1.901 1.00 43.12 H new ATOM 0 HD13 LEU A 66 -4.353 8.853 2.736 1.00 43.12 H new ATOM 0 HD21 LEU A 66 -6.193 6.366 2.745 1.00 3.32 H new ATOM 0 HD22 LEU A 66 -6.755 7.994 2.295 1.00 3.32 H new ATOM 0 HD23 LEU A 66 -6.971 6.634 1.167 1.00 3.32 H new ATOM 1045 N LYS A 67 -6.851 10.097 -1.750 1.00 52.14 N ATOM 1046 CA LYS A 67 -7.032 11.222 -2.680 1.00 32.54 C ATOM 1047 C LYS A 67 -6.891 12.572 -1.965 1.00 50.23 C ATOM 1048 O LYS A 67 -6.543 12.629 -0.782 1.00 63.13 O ATOM 1049 CB LYS A 67 -8.397 11.119 -3.383 1.00 1.12 C ATOM 1050 CG LYS A 67 -8.510 9.913 -4.313 1.00 52.10 C ATOM 1051 CD LYS A 67 -7.474 9.973 -5.435 1.00 24.43 C ATOM 1052 CE LYS A 67 -7.346 8.641 -6.159 1.00 32.43 C ATOM 1053 NZ LYS A 67 -6.950 7.554 -5.229 1.00 24.34 N ATOM 0 H LYS A 67 -7.330 10.212 -0.857 1.00 52.14 H new ATOM 0 HA LYS A 67 -6.245 11.166 -3.432 1.00 32.54 H new ATOM 0 HB2 LYS A 67 -9.182 11.062 -2.629 1.00 1.12 H new ATOM 0 HB3 LYS A 67 -8.571 12.029 -3.957 1.00 1.12 H new ATOM 0 HG2 LYS A 67 -8.374 8.996 -3.740 1.00 52.10 H new ATOM 0 HG3 LYS A 67 -9.511 9.876 -4.742 1.00 52.10 H new ATOM 0 HD2 LYS A 67 -7.755 10.748 -6.148 1.00 24.43 H new ATOM 0 HD3 LYS A 67 -6.506 10.256 -5.021 1.00 24.43 H new ATOM 0 HE2 LYS A 67 -8.296 8.389 -6.632 1.00 32.43 H new ATOM 0 HE3 LYS A 67 -6.607 8.728 -6.955 1.00 32.43 H new ATOM 0 HZ1 LYS A 67 -6.223 6.961 -5.678 1.00 24.34 H new ATOM 0 HZ2 LYS A 67 -6.568 7.967 -4.355 1.00 24.34 H new ATOM 0 HZ3 LYS A 67 -7.781 6.971 -5.002 1.00 24.34 H new ATOM 1067 N GLY A 68 -7.143 13.657 -2.694 1.00 31.43 N ATOM 1068 CA GLY A 68 -6.976 14.991 -2.133 1.00 43.03 C ATOM 1069 C GLY A 68 -5.535 15.264 -1.722 1.00 1.13 C ATOM 1070 O GLY A 68 -4.608 15.042 -2.503 1.00 43.03 O ATOM 0 H GLY A 68 -7.460 13.638 -3.663 1.00 31.43 H new ATOM 0 HA2 GLY A 68 -7.290 15.734 -2.866 1.00 43.03 H new ATOM 0 HA3 GLY A 68 -7.627 15.103 -1.266 1.00 43.03 H new ATOM 1074 N ARG A 69 -5.335 15.728 -0.492 1.00 5.45 N ATOM 1075 CA ARG A 69 -3.985 15.954 0.031 1.00 10.45 C ATOM 1076 C ARG A 69 -3.443 14.702 0.738 1.00 73.13 C ATOM 1077 O ARG A 69 -2.237 14.570 0.951 1.00 64.41 O ATOM 1078 CB ARG A 69 -3.967 17.172 0.963 1.00 0.21 C ATOM 1079 CG ARG A 69 -4.333 18.466 0.241 1.00 12.25 C ATOM 1080 CD ARG A 69 -4.142 19.699 1.114 1.00 42.21 C ATOM 1081 NE ARG A 69 -4.416 20.927 0.369 1.00 33.22 N ATOM 1082 CZ ARG A 69 -3.838 22.074 0.593 1.00 22.10 C ATOM 1083 NH1 ARG A 69 -2.983 22.217 1.556 1.00 64.30 N ATOM 1084 NH2 ARG A 69 -4.126 23.089 -0.147 1.00 41.13 N ATOM 0 H ARG A 69 -6.085 15.955 0.161 1.00 5.45 H new ATOM 0 HA ARG A 69 -3.325 16.161 -0.811 1.00 10.45 H new ATOM 0 HB2 ARG A 69 -4.665 17.008 1.784 1.00 0.21 H new ATOM 0 HB3 ARG A 69 -2.975 17.274 1.404 1.00 0.21 H new ATOM 0 HG2 ARG A 69 -3.721 18.562 -0.656 1.00 12.25 H new ATOM 0 HG3 ARG A 69 -5.372 18.414 -0.085 1.00 12.25 H new ATOM 0 HD2 ARG A 69 -4.803 19.641 1.978 1.00 42.21 H new ATOM 0 HD3 ARG A 69 -3.121 19.723 1.495 1.00 42.21 H new ATOM 0 HE ARG A 69 -5.108 20.883 -0.379 1.00 33.22 H new ATOM 0 HH11 ARG A 69 -2.752 21.424 2.155 1.00 64.30 H new ATOM 0 HH12 ARG A 69 -2.541 23.122 1.715 1.00 64.30 H new ATOM 0 HH21 ARG A 69 -4.803 22.993 -0.904 1.00 41.13 H new ATOM 0 HH22 ARG A 69 -3.677 23.989 0.024 1.00 41.13 H new ATOM 1098 N ASP A 70 -4.338 13.776 1.088 1.00 1.20 N ATOM 1099 CA ASP A 70 -3.929 12.475 1.631 1.00 5.31 C ATOM 1100 C ASP A 70 -3.146 11.677 0.578 1.00 43.13 C ATOM 1101 O ASP A 70 -2.293 10.850 0.911 1.00 41.14 O ATOM 1102 CB ASP A 70 -5.153 11.685 2.106 1.00 14.22 C ATOM 1103 CG ASP A 70 -5.879 12.395 3.232 1.00 24.11 C ATOM 1104 OD1 ASP A 70 -6.473 13.464 2.977 1.00 65.32 O ATOM 1105 OD2 ASP A 70 -5.838 11.909 4.382 1.00 22.01 O ATOM 0 H ASP A 70 -5.347 13.900 1.006 1.00 1.20 H new ATOM 0 HA ASP A 70 -3.277 12.646 2.488 1.00 5.31 H new ATOM 0 HB2 ASP A 70 -5.836 11.536 1.270 1.00 14.22 H new ATOM 0 HB3 ASP A 70 -4.840 10.696 2.442 1.00 14.22 H new ATOM 1110 N LEU A 71 -3.445 11.942 -0.693 1.00 3.00 N ATOM 1111 CA LEU A 71 -2.669 11.395 -1.809 1.00 31.13 C ATOM 1112 C LEU A 71 -1.198 11.823 -1.680 1.00 22.05 C ATOM 1113 O LEU A 71 -0.285 10.995 -1.741 1.00 1.11 O ATOM 1114 CB LEU A 71 -3.281 11.878 -3.142 1.00 65.44 C ATOM 1115 CG LEU A 71 -2.696 11.270 -4.439 1.00 73.33 C ATOM 1116 CD1 LEU A 71 -3.689 11.411 -5.590 1.00 25.33 C ATOM 1117 CD2 LEU A 71 -1.366 11.927 -4.819 1.00 70.42 C ATOM 0 H LEU A 71 -4.224 12.536 -0.978 1.00 3.00 H new ATOM 0 HA LEU A 71 -2.704 10.306 -1.789 1.00 31.13 H new ATOM 0 HB2 LEU A 71 -4.350 11.668 -3.121 1.00 65.44 H new ATOM 0 HB3 LEU A 71 -3.170 12.961 -3.194 1.00 65.44 H new ATOM 0 HG LEU A 71 -2.511 10.213 -4.250 1.00 73.33 H new ATOM 0 HD11 LEU A 71 -3.261 10.978 -6.494 1.00 25.33 H new ATOM 0 HD12 LEU A 71 -4.613 10.889 -5.340 1.00 25.33 H new ATOM 0 HD13 LEU A 71 -3.903 12.466 -5.759 1.00 25.33 H new ATOM 0 HD21 LEU A 71 -0.985 11.475 -5.735 1.00 70.42 H new ATOM 0 HD22 LEU A 71 -1.520 12.994 -4.978 1.00 70.42 H new ATOM 0 HD23 LEU A 71 -0.645 11.780 -4.015 1.00 70.42 H new ATOM 1129 N ASP A 72 -0.982 13.125 -1.486 1.00 24.31 N ATOM 1130 CA ASP A 72 0.362 13.662 -1.267 1.00 24.23 C ATOM 1131 C ASP A 72 0.976 13.146 0.046 1.00 25.45 C ATOM 1132 O ASP A 72 2.189 12.968 0.136 1.00 4.11 O ATOM 1133 CB ASP A 72 0.332 15.194 -1.279 1.00 12.14 C ATOM 1134 CG ASP A 72 0.145 15.749 -2.679 1.00 15.41 C ATOM 1135 OD1 ASP A 72 1.134 15.796 -3.442 1.00 72.31 O ATOM 1136 OD2 ASP A 72 -0.990 16.126 -3.035 1.00 72.44 O ATOM 0 H ASP A 72 -1.721 13.828 -1.476 1.00 24.31 H new ATOM 0 HA ASP A 72 0.994 13.313 -2.084 1.00 24.23 H new ATOM 0 HB2 ASP A 72 -0.477 15.546 -0.639 1.00 12.14 H new ATOM 0 HB3 ASP A 72 1.261 15.578 -0.858 1.00 12.14 H new ATOM 1141 N ARG A 73 0.142 12.905 1.058 1.00 32.31 N ATOM 1142 CA ARG A 73 0.615 12.317 2.320 1.00 73.52 C ATOM 1143 C ARG A 73 1.342 10.984 2.076 1.00 70.43 C ATOM 1144 O ARG A 73 2.499 10.818 2.471 1.00 31.31 O ATOM 1145 CB ARG A 73 -0.552 12.121 3.309 1.00 11.21 C ATOM 1146 CG ARG A 73 -0.621 13.191 4.398 1.00 72.31 C ATOM 1147 CD ARG A 73 -0.824 14.594 3.831 1.00 15.30 C ATOM 1148 NE ARG A 73 -0.438 15.626 4.795 1.00 62.53 N ATOM 1149 CZ ARG A 73 -1.238 16.543 5.264 1.00 53.54 C ATOM 1150 NH1 ARG A 73 -2.489 16.571 4.930 1.00 33.14 N ATOM 1151 NH2 ARG A 73 -0.779 17.428 6.088 1.00 61.15 N ATOM 0 H ARG A 73 -0.858 13.105 1.033 1.00 32.31 H new ATOM 0 HA ARG A 73 1.327 13.015 2.761 1.00 73.52 H new ATOM 0 HB2 ARG A 73 -1.490 12.119 2.754 1.00 11.21 H new ATOM 0 HB3 ARG A 73 -0.458 11.142 3.779 1.00 11.21 H new ATOM 0 HG2 ARG A 73 -1.438 12.957 5.080 1.00 72.31 H new ATOM 0 HG3 ARG A 73 0.299 13.169 4.983 1.00 72.31 H new ATOM 0 HD2 ARG A 73 -0.236 14.708 2.920 1.00 15.30 H new ATOM 0 HD3 ARG A 73 -1.870 14.727 3.554 1.00 15.30 H new ATOM 0 HE ARG A 73 0.527 15.628 5.124 1.00 62.53 H new ATOM 0 HH11 ARG A 73 -2.862 15.869 4.291 1.00 33.14 H new ATOM 0 HH12 ARG A 73 -3.101 17.295 5.306 1.00 33.14 H new ATOM 0 HH21 ARG A 73 0.202 17.405 6.366 1.00 61.15 H new ATOM 0 HH22 ARG A 73 -1.398 18.149 6.459 1.00 61.15 H new ATOM 1165 N GLN A 74 0.667 10.043 1.413 1.00 42.03 N ATOM 1166 CA GLN A 74 1.284 8.755 1.072 1.00 12.01 C ATOM 1167 C GLN A 74 2.534 8.951 0.200 1.00 65.10 C ATOM 1168 O GLN A 74 3.597 8.400 0.490 1.00 73.43 O ATOM 1169 CB GLN A 74 0.278 7.841 0.350 1.00 14.44 C ATOM 1170 CG GLN A 74 0.882 6.519 -0.126 1.00 42.11 C ATOM 1171 CD GLN A 74 -0.142 5.568 -0.729 1.00 30.33 C ATOM 1172 OE1 GLN A 74 -0.414 5.601 -1.920 1.00 74.02 O ATOM 1173 NE2 GLN A 74 -0.717 4.705 0.089 1.00 43.53 N ATOM 0 H GLN A 74 -0.299 10.145 1.103 1.00 42.03 H new ATOM 0 HA GLN A 74 1.586 8.279 2.005 1.00 12.01 H new ATOM 0 HB2 GLN A 74 -0.554 7.629 1.021 1.00 14.44 H new ATOM 0 HB3 GLN A 74 -0.132 8.373 -0.508 1.00 14.44 H new ATOM 0 HG2 GLN A 74 1.654 6.727 -0.867 1.00 42.11 H new ATOM 0 HG3 GLN A 74 1.371 6.028 0.715 1.00 42.11 H new ATOM 0 HE21 GLN A 74 -0.471 4.699 1.079 1.00 43.53 H new ATOM 0 HE22 GLN A 74 -1.407 4.044 -0.269 1.00 43.53 H new ATOM 1182 N LYS A 75 2.401 9.756 -0.852 1.00 23.35 N ATOM 1183 CA LYS A 75 3.508 10.016 -1.780 1.00 75.22 C ATOM 1184 C LYS A 75 4.753 10.573 -1.062 1.00 15.55 C ATOM 1185 O LYS A 75 5.863 10.101 -1.284 1.00 3.34 O ATOM 1186 CB LYS A 75 3.060 10.986 -2.878 1.00 34.52 C ATOM 1187 CG LYS A 75 4.161 11.346 -3.875 1.00 70.32 C ATOM 1188 CD LYS A 75 3.635 12.225 -5.006 1.00 45.31 C ATOM 1189 CE LYS A 75 3.063 13.515 -4.453 1.00 53.05 C ATOM 1190 NZ LYS A 75 2.443 14.375 -5.496 1.00 71.34 N ATOM 0 H LYS A 75 1.536 10.243 -1.087 1.00 23.35 H new ATOM 0 HA LYS A 75 3.787 9.061 -2.226 1.00 75.22 H new ATOM 0 HB2 LYS A 75 2.223 10.545 -3.420 1.00 34.52 H new ATOM 0 HB3 LYS A 75 2.692 11.900 -2.413 1.00 34.52 H new ATOM 0 HG2 LYS A 75 4.966 11.865 -3.356 1.00 70.32 H new ATOM 0 HG3 LYS A 75 4.587 10.433 -4.292 1.00 70.32 H new ATOM 0 HD2 LYS A 75 4.440 12.448 -5.706 1.00 45.31 H new ATOM 0 HD3 LYS A 75 2.867 11.689 -5.564 1.00 45.31 H new ATOM 0 HE2 LYS A 75 2.316 13.278 -3.695 1.00 53.05 H new ATOM 0 HE3 LYS A 75 3.856 14.073 -3.955 1.00 53.05 H new ATOM 0 HZ1 LYS A 75 1.883 15.124 -5.041 1.00 71.34 H new ATOM 0 HZ2 LYS A 75 3.189 14.806 -6.079 1.00 71.34 H new ATOM 0 HZ3 LYS A 75 1.823 13.797 -6.099 1.00 71.34 H new ATOM 1204 N GLN A 76 4.562 11.568 -0.199 1.00 62.32 N ATOM 1205 CA GLN A 76 5.680 12.171 0.540 1.00 54.32 C ATOM 1206 C GLN A 76 6.309 11.179 1.534 1.00 43.31 C ATOM 1207 O GLN A 76 7.500 11.268 1.841 1.00 0.31 O ATOM 1208 CB GLN A 76 5.231 13.457 1.258 1.00 30.42 C ATOM 1209 CG GLN A 76 5.410 14.728 0.425 1.00 64.42 C ATOM 1210 CD GLN A 76 4.596 14.742 -0.860 1.00 54.41 C ATOM 1211 OE1 GLN A 76 5.038 14.265 -1.897 1.00 41.32 O ATOM 1212 NE2 GLN A 76 3.415 15.322 -0.811 1.00 74.40 N ATOM 0 H GLN A 76 3.650 11.976 0.009 1.00 62.32 H new ATOM 0 HA GLN A 76 6.448 12.433 -0.187 1.00 54.32 H new ATOM 0 HB2 GLN A 76 4.181 13.360 1.533 1.00 30.42 H new ATOM 0 HB3 GLN A 76 5.795 13.560 2.185 1.00 30.42 H new ATOM 0 HG2 GLN A 76 5.130 15.590 1.030 1.00 64.42 H new ATOM 0 HG3 GLN A 76 6.465 14.842 0.177 1.00 64.42 H new ATOM 0 HE21 GLN A 76 3.074 15.710 0.068 1.00 74.40 H new ATOM 0 HE22 GLN A 76 2.841 15.383 -1.652 1.00 74.40 H new ATOM 1221 N LYS A 77 5.509 10.242 2.042 1.00 24.44 N ATOM 1222 CA LYS A 77 6.038 9.152 2.873 1.00 63.11 C ATOM 1223 C LYS A 77 6.942 8.228 2.036 1.00 5.23 C ATOM 1224 O LYS A 77 8.018 7.823 2.473 1.00 3.41 O ATOM 1225 CB LYS A 77 4.884 8.340 3.492 1.00 13.44 C ATOM 1226 CG LYS A 77 4.046 9.082 4.544 1.00 51.10 C ATOM 1227 CD LYS A 77 4.699 9.095 5.933 1.00 22.03 C ATOM 1228 CE LYS A 77 5.855 10.085 6.044 1.00 75.31 C ATOM 1229 NZ LYS A 77 5.396 11.501 5.991 1.00 13.43 N ATOM 0 H LYS A 77 4.500 10.212 1.897 1.00 24.44 H new ATOM 0 HA LYS A 77 6.631 9.589 3.676 1.00 63.11 H new ATOM 0 HB2 LYS A 77 4.222 8.012 2.690 1.00 13.44 H new ATOM 0 HB3 LYS A 77 5.299 7.442 3.950 1.00 13.44 H new ATOM 0 HG2 LYS A 77 3.886 10.109 4.215 1.00 51.10 H new ATOM 0 HG3 LYS A 77 3.064 8.613 4.615 1.00 51.10 H new ATOM 0 HD2 LYS A 77 3.944 9.342 6.680 1.00 22.03 H new ATOM 0 HD3 LYS A 77 5.062 8.094 6.166 1.00 22.03 H new ATOM 0 HE2 LYS A 77 6.388 9.913 6.979 1.00 75.31 H new ATOM 0 HE3 LYS A 77 6.563 9.905 5.235 1.00 75.31 H new ATOM 0 HZ1 LYS A 77 6.185 12.131 6.238 1.00 13.43 H new ATOM 0 HZ2 LYS A 77 5.064 11.722 5.031 1.00 13.43 H new ATOM 0 HZ3 LYS A 77 4.618 11.639 6.667 1.00 13.43 H new ATOM 1243 N LEU A 78 6.492 7.924 0.821 1.00 32.43 N ATOM 1244 CA LEU A 78 7.236 7.069 -0.114 1.00 60.24 C ATOM 1245 C LEU A 78 8.528 7.750 -0.611 1.00 22.44 C ATOM 1246 O LEU A 78 9.627 7.192 -0.512 1.00 74.41 O ATOM 1247 CB LEU A 78 6.331 6.732 -1.306 1.00 44.02 C ATOM 1248 CG LEU A 78 5.036 5.983 -0.952 1.00 74.12 C ATOM 1249 CD1 LEU A 78 4.105 5.913 -2.157 1.00 62.51 C ATOM 1250 CD2 LEU A 78 5.347 4.583 -0.431 1.00 1.35 C ATOM 0 H LEU A 78 5.602 8.261 0.453 1.00 32.43 H new ATOM 0 HA LEU A 78 7.529 6.159 0.410 1.00 60.24 H new ATOM 0 HB2 LEU A 78 6.068 7.659 -1.816 1.00 44.02 H new ATOM 0 HB3 LEU A 78 6.899 6.129 -2.014 1.00 44.02 H new ATOM 0 HG LEU A 78 4.529 6.537 -0.162 1.00 74.12 H new ATOM 0 HD11 LEU A 78 3.195 5.379 -1.883 1.00 62.51 H new ATOM 0 HD12 LEU A 78 3.850 6.923 -2.479 1.00 62.51 H new ATOM 0 HD13 LEU A 78 4.603 5.387 -2.972 1.00 62.51 H new ATOM 0 HD21 LEU A 78 4.416 4.071 -0.187 1.00 1.35 H new ATOM 0 HD22 LEU A 78 5.881 4.020 -1.197 1.00 1.35 H new ATOM 0 HD23 LEU A 78 5.966 4.657 0.463 1.00 1.35 H new ATOM 1262 N GLU A 79 8.383 8.957 -1.152 1.00 21.34 N ATOM 1263 CA GLU A 79 9.519 9.740 -1.658 1.00 12.35 C ATOM 1264 C GLU A 79 10.566 10.011 -0.563 1.00 11.52 C ATOM 1265 O GLU A 79 11.754 10.143 -0.853 1.00 52.24 O ATOM 1266 CB GLU A 79 9.023 11.068 -2.254 1.00 63.44 C ATOM 1267 CG GLU A 79 8.251 10.920 -3.569 1.00 1.43 C ATOM 1268 CD GLU A 79 9.139 10.639 -4.780 1.00 44.32 C ATOM 1269 OE1 GLU A 79 10.344 10.340 -4.605 1.00 43.11 O ATOM 1270 OE2 GLU A 79 8.640 10.746 -5.923 1.00 11.02 O ATOM 0 H GLU A 79 7.481 9.423 -1.254 1.00 21.34 H new ATOM 0 HA GLU A 79 10.003 9.150 -2.436 1.00 12.35 H new ATOM 0 HB2 GLU A 79 8.383 11.563 -1.524 1.00 63.44 H new ATOM 0 HB3 GLU A 79 9.880 11.720 -2.421 1.00 63.44 H new ATOM 0 HG2 GLU A 79 7.528 10.111 -3.465 1.00 1.43 H new ATOM 0 HG3 GLU A 79 7.684 11.833 -3.751 1.00 1.43 H new ATOM 1277 N ALA A 80 10.125 10.085 0.694 1.00 41.53 N ATOM 1278 CA ALA A 80 11.042 10.282 1.825 1.00 43.33 C ATOM 1279 C ALA A 80 12.108 9.176 1.892 1.00 52.45 C ATOM 1280 O ALA A 80 13.275 9.438 2.190 1.00 11.41 O ATOM 1281 CB ALA A 80 10.265 10.343 3.134 1.00 12.54 C ATOM 0 H ALA A 80 9.142 10.012 0.957 1.00 41.53 H new ATOM 0 HA ALA A 80 11.556 11.231 1.670 1.00 43.33 H new ATOM 0 HB1 ALA A 80 10.958 10.489 3.962 1.00 12.54 H new ATOM 0 HB2 ALA A 80 9.560 11.173 3.100 1.00 12.54 H new ATOM 0 HB3 ALA A 80 9.720 9.410 3.277 1.00 12.54 H new ATOM 1287 N GLU A 81 11.701 7.939 1.611 1.00 2.14 N ATOM 1288 CA GLU A 81 12.626 6.800 1.607 1.00 51.53 C ATOM 1289 C GLU A 81 13.296 6.626 0.236 1.00 54.43 C ATOM 1290 O GLU A 81 14.407 6.105 0.138 1.00 74.01 O ATOM 1291 CB GLU A 81 11.882 5.513 1.978 1.00 35.11 C ATOM 1292 CG GLU A 81 11.206 5.558 3.341 1.00 40.13 C ATOM 1293 CD GLU A 81 10.504 4.254 3.670 1.00 64.23 C ATOM 1294 OE1 GLU A 81 9.553 3.895 2.950 1.00 62.31 O ATOM 1295 OE2 GLU A 81 10.916 3.562 4.628 1.00 5.24 O ATOM 0 H GLU A 81 10.737 7.697 1.383 1.00 2.14 H new ATOM 0 HA GLU A 81 13.401 7.002 2.346 1.00 51.53 H new ATOM 0 HB2 GLU A 81 11.129 5.309 1.217 1.00 35.11 H new ATOM 0 HB3 GLU A 81 12.586 4.681 1.961 1.00 35.11 H new ATOM 0 HG2 GLU A 81 11.950 5.773 4.108 1.00 40.13 H new ATOM 0 HG3 GLU A 81 10.483 6.374 3.361 1.00 40.13 H new ATOM 1302 N GLY A 82 12.620 7.071 -0.820 1.00 64.14 N ATOM 1303 CA GLY A 82 13.177 6.969 -2.167 1.00 74.43 C ATOM 1304 C GLY A 82 12.328 6.134 -3.119 1.00 50.24 C ATOM 1305 O GLY A 82 12.852 5.301 -3.862 1.00 64.22 O ATOM 0 H GLY A 82 11.696 7.501 -0.772 1.00 64.14 H new ATOM 0 HA2 GLY A 82 13.292 7.971 -2.580 1.00 74.43 H new ATOM 0 HA3 GLY A 82 14.174 6.533 -2.106 1.00 74.43 H new ATOM 1309 N ILE A 83 11.016 6.345 -3.090 1.00 31.11 N ATOM 1310 CA ILE A 83 10.095 5.688 -4.029 1.00 62.32 C ATOM 1311 C ILE A 83 9.464 6.729 -4.966 1.00 5.24 C ATOM 1312 O ILE A 83 8.657 7.551 -4.533 1.00 34.31 O ATOM 1313 CB ILE A 83 8.971 4.924 -3.280 1.00 54.15 C ATOM 1314 CG1 ILE A 83 9.567 3.830 -2.377 1.00 13.23 C ATOM 1315 CG2 ILE A 83 7.959 4.328 -4.265 1.00 50.21 C ATOM 1316 CD1 ILE A 83 8.533 3.083 -1.555 1.00 43.42 C ATOM 0 H ILE A 83 10.559 6.968 -2.425 1.00 31.11 H new ATOM 0 HA ILE A 83 10.673 4.970 -4.610 1.00 62.32 H new ATOM 0 HB ILE A 83 8.441 5.637 -2.648 1.00 54.15 H new ATOM 0 HG12 ILE A 83 10.109 3.116 -2.997 1.00 13.23 H new ATOM 0 HG13 ILE A 83 10.294 4.284 -1.703 1.00 13.23 H new ATOM 0 HG21 ILE A 83 7.183 3.798 -3.713 1.00 50.21 H new ATOM 0 HG22 ILE A 83 7.506 5.128 -4.850 1.00 50.21 H new ATOM 0 HG23 ILE A 83 8.468 3.633 -4.933 1.00 50.21 H new ATOM 0 HD11 ILE A 83 9.029 2.329 -0.945 1.00 43.42 H new ATOM 0 HD12 ILE A 83 8.007 3.785 -0.908 1.00 43.42 H new ATOM 0 HD13 ILE A 83 7.819 2.598 -2.221 1.00 43.42 H new ATOM 1328 N GLU A 84 9.834 6.687 -6.244 1.00 24.02 N ATOM 1329 CA GLU A 84 9.375 7.686 -7.218 1.00 45.22 C ATOM 1330 C GLU A 84 7.888 7.513 -7.559 1.00 51.44 C ATOM 1331 O GLU A 84 7.492 6.558 -8.234 1.00 21.31 O ATOM 1332 CB GLU A 84 10.221 7.613 -8.497 1.00 10.21 C ATOM 1333 CG GLU A 84 9.772 8.578 -9.594 1.00 22.41 C ATOM 1334 CD GLU A 84 10.648 8.498 -10.832 1.00 54.43 C ATOM 1335 OE1 GLU A 84 10.475 7.555 -11.632 1.00 13.33 O ATOM 1336 OE2 GLU A 84 11.519 9.376 -11.014 1.00 11.34 O ATOM 0 H GLU A 84 10.450 5.974 -6.633 1.00 24.02 H new ATOM 0 HA GLU A 84 9.498 8.668 -6.760 1.00 45.22 H new ATOM 0 HB2 GLU A 84 11.261 7.823 -8.245 1.00 10.21 H new ATOM 0 HB3 GLU A 84 10.187 6.595 -8.886 1.00 10.21 H new ATOM 0 HG2 GLU A 84 8.740 8.357 -9.868 1.00 22.41 H new ATOM 0 HG3 GLU A 84 9.788 9.597 -9.206 1.00 22.41 H new ATOM 1343 N VAL A 85 7.068 8.444 -7.082 1.00 12.22 N ATOM 1344 CA VAL A 85 5.637 8.438 -7.389 1.00 73.41 C ATOM 1345 C VAL A 85 5.322 9.413 -8.527 1.00 22.52 C ATOM 1346 O VAL A 85 5.647 10.599 -8.446 1.00 4.52 O ATOM 1347 CB VAL A 85 4.775 8.819 -6.155 1.00 13.44 C ATOM 1348 CG1 VAL A 85 3.290 8.586 -6.440 1.00 5.44 C ATOM 1349 CG2 VAL A 85 5.221 8.046 -4.916 1.00 60.33 C ATOM 0 H VAL A 85 7.367 9.213 -6.482 1.00 12.22 H new ATOM 0 HA VAL A 85 5.388 7.420 -7.689 1.00 73.41 H new ATOM 0 HB VAL A 85 4.920 9.881 -5.956 1.00 13.44 H new ATOM 0 HG11 VAL A 85 2.704 8.859 -5.563 1.00 5.44 H new ATOM 0 HG12 VAL A 85 2.982 9.198 -7.287 1.00 5.44 H new ATOM 0 HG13 VAL A 85 3.125 7.534 -6.673 1.00 5.44 H new ATOM 0 HG21 VAL A 85 4.601 8.332 -4.066 1.00 60.33 H new ATOM 0 HG22 VAL A 85 5.117 6.976 -5.098 1.00 60.33 H new ATOM 0 HG23 VAL A 85 6.264 8.278 -4.698 1.00 60.33 H new ATOM 1359 N SER A 86 4.693 8.916 -9.589 1.00 42.03 N ATOM 1360 CA SER A 86 4.227 9.788 -10.672 1.00 70.02 C ATOM 1361 C SER A 86 3.294 10.862 -10.095 1.00 4.41 C ATOM 1362 O SER A 86 2.415 10.547 -9.293 1.00 53.54 O ATOM 1363 CB SER A 86 3.504 8.972 -11.755 1.00 61.33 C ATOM 1364 OG SER A 86 4.356 7.970 -12.303 1.00 43.33 O ATOM 0 H SER A 86 4.494 7.925 -9.726 1.00 42.03 H new ATOM 0 HA SER A 86 5.088 10.270 -11.136 1.00 70.02 H new ATOM 0 HB2 SER A 86 2.616 8.504 -11.329 1.00 61.33 H new ATOM 0 HB3 SER A 86 3.164 9.637 -12.549 1.00 61.33 H new ATOM 0 HG SER A 86 3.869 7.466 -12.988 1.00 43.33 H new ATOM 1370 N GLU A 87 3.490 12.118 -10.499 1.00 42.31 N ATOM 1371 CA GLU A 87 2.829 13.266 -9.853 1.00 44.43 C ATOM 1372 C GLU A 87 1.294 13.120 -9.780 1.00 42.45 C ATOM 1373 O GLU A 87 0.666 13.572 -8.821 1.00 62.34 O ATOM 1374 CB GLU A 87 3.196 14.570 -10.581 1.00 64.34 C ATOM 1375 CG GLU A 87 2.767 15.840 -9.842 1.00 52.04 C ATOM 1376 CD GLU A 87 3.606 16.129 -8.597 1.00 11.23 C ATOM 1377 OE1 GLU A 87 3.710 15.247 -7.716 1.00 44.32 O ATOM 1378 OE2 GLU A 87 4.156 17.246 -8.487 1.00 64.25 O ATOM 0 H GLU A 87 4.103 12.373 -11.274 1.00 42.31 H new ATOM 0 HA GLU A 87 3.194 13.296 -8.826 1.00 44.43 H new ATOM 0 HB2 GLU A 87 4.275 14.598 -10.733 1.00 64.34 H new ATOM 0 HB3 GLU A 87 2.735 14.564 -11.569 1.00 64.34 H new ATOM 0 HG2 GLU A 87 2.836 16.689 -10.523 1.00 52.04 H new ATOM 0 HG3 GLU A 87 1.720 15.747 -9.553 1.00 52.04 H new ATOM 1385 N ILE A 88 0.694 12.481 -10.784 1.00 75.34 N ATOM 1386 CA ILE A 88 -0.767 12.278 -10.814 1.00 42.22 C ATOM 1387 C ILE A 88 -1.235 11.254 -9.761 1.00 2.33 C ATOM 1388 O ILE A 88 -2.436 11.039 -9.571 1.00 53.50 O ATOM 1389 CB ILE A 88 -1.242 11.822 -12.217 1.00 35.22 C ATOM 1390 CG1 ILE A 88 -0.576 10.490 -12.608 1.00 12.44 C ATOM 1391 CG2 ILE A 88 -0.943 12.906 -13.252 1.00 32.32 C ATOM 1392 CD1 ILE A 88 -0.975 9.979 -13.978 1.00 11.50 C ATOM 0 H ILE A 88 1.189 12.094 -11.588 1.00 75.34 H new ATOM 0 HA ILE A 88 -1.214 13.243 -10.577 1.00 42.22 H new ATOM 0 HB ILE A 88 -2.320 11.662 -12.187 1.00 35.22 H new ATOM 0 HG12 ILE A 88 0.506 10.615 -12.579 1.00 12.44 H new ATOM 0 HG13 ILE A 88 -0.830 9.736 -11.863 1.00 12.44 H new ATOM 0 HG21 ILE A 88 -1.281 12.575 -14.234 1.00 32.32 H new ATOM 0 HG22 ILE A 88 -1.465 13.823 -12.979 1.00 32.32 H new ATOM 0 HG23 ILE A 88 0.130 13.094 -13.282 1.00 32.32 H new ATOM 0 HD11 ILE A 88 -0.463 9.038 -14.178 1.00 11.50 H new ATOM 0 HD12 ILE A 88 -2.053 9.820 -14.007 1.00 11.50 H new ATOM 0 HD13 ILE A 88 -0.696 10.712 -14.735 1.00 11.50 H new ATOM 1404 N GLY A 89 -0.276 10.629 -9.082 1.00 21.43 N ATOM 1405 CA GLY A 89 -0.578 9.664 -8.031 1.00 70.24 C ATOM 1406 C GLY A 89 -0.464 8.208 -8.480 1.00 50.24 C ATOM 1407 O GLY A 89 -1.312 7.390 -8.145 1.00 70.12 O ATOM 0 H GLY A 89 0.721 10.775 -9.243 1.00 21.43 H new ATOM 0 HA2 GLY A 89 0.099 9.830 -7.193 1.00 70.24 H new ATOM 0 HA3 GLY A 89 -1.589 9.844 -7.665 1.00 70.24 H new ATOM 1411 N LYS A 90 0.592 7.870 -9.227 1.00 63.10 N ATOM 1412 CA LYS A 90 0.791 6.484 -9.697 1.00 60.22 C ATOM 1413 C LYS A 90 2.168 5.921 -9.309 1.00 73.53 C ATOM 1414 O LYS A 90 3.159 6.648 -9.236 1.00 75.42 O ATOM 1415 CB LYS A 90 0.629 6.388 -11.223 1.00 44.15 C ATOM 1416 CG LYS A 90 -0.799 6.583 -11.724 1.00 61.04 C ATOM 1417 CD LYS A 90 -0.925 6.342 -13.235 1.00 61.44 C ATOM 1418 CE LYS A 90 -0.783 4.864 -13.621 1.00 43.02 C ATOM 1419 NZ LYS A 90 0.587 4.325 -13.389 1.00 62.34 N ATOM 0 H LYS A 90 1.318 8.524 -9.520 1.00 63.10 H new ATOM 0 HA LYS A 90 0.024 5.887 -9.203 1.00 60.22 H new ATOM 0 HB2 LYS A 90 1.269 7.136 -11.691 1.00 44.15 H new ATOM 0 HB3 LYS A 90 0.985 5.412 -11.552 1.00 44.15 H new ATOM 0 HG2 LYS A 90 -1.464 5.902 -11.193 1.00 61.04 H new ATOM 0 HG3 LYS A 90 -1.128 7.596 -11.491 1.00 61.04 H new ATOM 0 HD2 LYS A 90 -1.893 6.709 -13.576 1.00 61.44 H new ATOM 0 HD3 LYS A 90 -0.162 6.922 -13.755 1.00 61.44 H new ATOM 0 HE2 LYS A 90 -1.500 4.275 -13.048 1.00 43.02 H new ATOM 0 HE3 LYS A 90 -1.040 4.744 -14.673 1.00 43.02 H new ATOM 0 HZ1 LYS A 90 0.838 3.671 -14.158 1.00 62.34 H new ATOM 0 HZ2 LYS A 90 1.269 5.109 -13.366 1.00 62.34 H new ATOM 0 HZ3 LYS A 90 0.611 3.818 -12.481 1.00 62.34 H new ATOM 1433 N ILE A 91 2.213 4.608 -9.087 1.00 1.34 N ATOM 1434 CA ILE A 91 3.460 3.893 -8.785 1.00 4.13 C ATOM 1435 C ILE A 91 3.659 2.725 -9.767 1.00 74.33 C ATOM 1436 O ILE A 91 2.750 1.922 -9.981 1.00 23.32 O ATOM 1437 CB ILE A 91 3.455 3.338 -7.335 1.00 24.44 C ATOM 1438 CG1 ILE A 91 3.230 4.470 -6.318 1.00 25.23 C ATOM 1439 CG2 ILE A 91 4.758 2.594 -7.034 1.00 43.43 C ATOM 1440 CD1 ILE A 91 3.110 3.987 -4.888 1.00 54.15 C ATOM 0 H ILE A 91 1.389 4.007 -9.111 1.00 1.34 H new ATOM 0 HA ILE A 91 4.278 4.606 -8.887 1.00 4.13 H new ATOM 0 HB ILE A 91 2.630 2.631 -7.246 1.00 24.44 H new ATOM 0 HG12 ILE A 91 4.057 5.177 -6.385 1.00 25.23 H new ATOM 0 HG13 ILE A 91 2.324 5.013 -6.586 1.00 25.23 H new ATOM 0 HG21 ILE A 91 4.732 2.214 -6.013 1.00 43.43 H new ATOM 0 HG22 ILE A 91 4.870 1.761 -7.728 1.00 43.43 H new ATOM 0 HG23 ILE A 91 5.601 3.276 -7.146 1.00 43.43 H new ATOM 0 HD11 ILE A 91 2.953 4.840 -4.228 1.00 54.15 H new ATOM 0 HD12 ILE A 91 2.265 3.303 -4.805 1.00 54.15 H new ATOM 0 HD13 ILE A 91 4.025 3.470 -4.601 1.00 54.15 H new ATOM 1452 N ALA A 92 4.847 2.628 -10.362 1.00 45.12 N ATOM 1453 CA ALA A 92 5.136 1.568 -11.336 1.00 74.02 C ATOM 1454 C ALA A 92 5.351 0.205 -10.651 1.00 43.22 C ATOM 1455 O ALA A 92 6.456 -0.118 -10.217 1.00 4.12 O ATOM 1456 CB ALA A 92 6.353 1.941 -12.179 1.00 63.31 C ATOM 0 H ALA A 92 5.624 3.266 -10.190 1.00 45.12 H new ATOM 0 HA ALA A 92 4.268 1.472 -11.988 1.00 74.02 H new ATOM 0 HB1 ALA A 92 6.556 1.146 -12.897 1.00 63.31 H new ATOM 0 HB2 ALA A 92 6.155 2.870 -12.713 1.00 63.31 H new ATOM 0 HB3 ALA A 92 7.219 2.073 -11.530 1.00 63.31 H new ATOM 1462 N LEU A 93 4.280 -0.587 -10.554 1.00 1.52 N ATOM 1463 CA LEU A 93 4.339 -1.915 -9.920 1.00 42.51 C ATOM 1464 C LEU A 93 5.342 -2.852 -10.612 1.00 62.01 C ATOM 1465 O LEU A 93 5.930 -3.724 -9.977 1.00 30.53 O ATOM 1466 CB LEU A 93 2.947 -2.564 -9.920 1.00 63.43 C ATOM 1467 CG LEU A 93 1.894 -1.868 -9.046 1.00 11.42 C ATOM 1468 CD1 LEU A 93 0.537 -2.554 -9.184 1.00 43.43 C ATOM 1469 CD2 LEU A 93 2.341 -1.838 -7.583 1.00 51.34 C ATOM 0 H LEU A 93 3.357 -0.334 -10.906 1.00 1.52 H new ATOM 0 HA LEU A 93 4.681 -1.763 -8.896 1.00 42.51 H new ATOM 0 HB2 LEU A 93 2.580 -2.595 -10.946 1.00 63.43 H new ATOM 0 HB3 LEU A 93 3.047 -3.597 -9.586 1.00 63.43 H new ATOM 0 HG LEU A 93 1.790 -0.839 -9.391 1.00 11.42 H new ATOM 0 HD11 LEU A 93 -0.194 -2.044 -8.556 1.00 43.43 H new ATOM 0 HD12 LEU A 93 0.213 -2.514 -10.224 1.00 43.43 H new ATOM 0 HD13 LEU A 93 0.622 -3.595 -8.871 1.00 43.43 H new ATOM 0 HD21 LEU A 93 1.581 -1.341 -6.980 1.00 51.34 H new ATOM 0 HD22 LEU A 93 2.479 -2.858 -7.224 1.00 51.34 H new ATOM 0 HD23 LEU A 93 3.282 -1.294 -7.501 1.00 51.34 H new ATOM 1481 N ARG A 94 5.531 -2.669 -11.917 1.00 11.21 N ATOM 1482 CA ARG A 94 6.453 -3.505 -12.694 1.00 32.21 C ATOM 1483 C ARG A 94 7.875 -3.511 -12.092 1.00 41.10 C ATOM 1484 O ARG A 94 8.582 -4.520 -12.160 1.00 1.41 O ATOM 1485 CB ARG A 94 6.486 -3.028 -14.154 1.00 31.13 C ATOM 1486 CG ARG A 94 7.423 -3.835 -15.051 1.00 23.40 C ATOM 1487 CD ARG A 94 7.342 -3.382 -16.504 1.00 34.55 C ATOM 1488 NE ARG A 94 8.248 -4.137 -17.366 1.00 70.21 N ATOM 1489 CZ ARG A 94 8.051 -4.348 -18.640 1.00 34.12 C ATOM 1490 NH1 ARG A 94 6.982 -3.915 -19.225 1.00 11.55 N ATOM 1491 NH2 ARG A 94 8.931 -4.998 -19.324 1.00 3.13 N ATOM 0 H ARG A 94 5.058 -1.948 -12.463 1.00 11.21 H new ATOM 0 HA ARG A 94 6.086 -4.531 -12.658 1.00 32.21 H new ATOM 0 HB2 ARG A 94 5.477 -3.076 -14.564 1.00 31.13 H new ATOM 0 HB3 ARG A 94 6.790 -1.982 -14.177 1.00 31.13 H new ATOM 0 HG2 ARG A 94 8.448 -3.731 -14.694 1.00 23.40 H new ATOM 0 HG3 ARG A 94 7.168 -4.893 -14.985 1.00 23.40 H new ATOM 0 HD2 ARG A 94 6.319 -3.498 -16.863 1.00 34.55 H new ATOM 0 HD3 ARG A 94 7.583 -2.321 -16.566 1.00 34.55 H new ATOM 0 HE ARG A 94 9.092 -4.526 -16.945 1.00 70.21 H new ATOM 0 HH11 ARG A 94 6.281 -3.402 -18.691 1.00 11.55 H new ATOM 0 HH12 ARG A 94 6.840 -4.086 -20.220 1.00 11.55 H new ATOM 0 HH21 ARG A 94 9.776 -5.345 -18.870 1.00 3.13 H new ATOM 0 HH22 ARG A 94 8.782 -5.165 -20.319 1.00 3.13 H new ATOM 1505 N LYS A 95 8.285 -2.387 -11.501 1.00 20.23 N ATOM 1506 CA LYS A 95 9.606 -2.282 -10.861 1.00 31.42 C ATOM 1507 C LYS A 95 9.501 -2.272 -9.320 1.00 3.43 C ATOM 1508 O LYS A 95 10.299 -2.912 -8.633 1.00 70.41 O ATOM 1509 CB LYS A 95 10.335 -1.024 -11.360 1.00 13.14 C ATOM 1510 CG LYS A 95 9.567 0.272 -11.118 1.00 51.04 C ATOM 1511 CD LYS A 95 10.275 1.482 -11.723 1.00 70.41 C ATOM 1512 CE LYS A 95 11.646 1.718 -11.100 1.00 12.53 C ATOM 1513 NZ LYS A 95 12.315 2.913 -11.675 1.00 45.11 N ATOM 0 H LYS A 95 7.725 -1.536 -11.450 1.00 20.23 H new ATOM 0 HA LYS A 95 10.182 -3.165 -11.140 1.00 31.42 H new ATOM 0 HB2 LYS A 95 11.305 -0.958 -10.866 1.00 13.14 H new ATOM 0 HB3 LYS A 95 10.527 -1.127 -12.428 1.00 13.14 H new ATOM 0 HG2 LYS A 95 8.568 0.186 -11.546 1.00 51.04 H new ATOM 0 HG3 LYS A 95 9.443 0.424 -10.046 1.00 51.04 H new ATOM 0 HD2 LYS A 95 10.386 1.336 -12.797 1.00 70.41 H new ATOM 0 HD3 LYS A 95 9.657 2.369 -11.584 1.00 70.41 H new ATOM 0 HE2 LYS A 95 11.539 1.845 -10.023 1.00 12.53 H new ATOM 0 HE3 LYS A 95 12.273 0.840 -11.257 1.00 12.53 H new ATOM 0 HZ1 LYS A 95 13.244 3.040 -11.226 1.00 45.11 H new ATOM 0 HZ2 LYS A 95 12.440 2.782 -12.699 1.00 45.11 H new ATOM 0 HZ3 LYS A 95 11.729 3.755 -11.503 1.00 45.11 H new ATOM 1527 N TYR A 96 8.503 -1.566 -8.783 1.00 61.02 N ATOM 1528 CA TYR A 96 8.334 -1.441 -7.325 1.00 1.45 C ATOM 1529 C TYR A 96 7.576 -2.633 -6.710 1.00 70.32 C ATOM 1530 O TYR A 96 7.143 -2.570 -5.557 1.00 61.15 O ATOM 1531 CB TYR A 96 7.610 -0.130 -6.984 1.00 75.43 C ATOM 1532 CG TYR A 96 8.434 1.118 -7.250 1.00 42.42 C ATOM 1533 CD1 TYR A 96 9.493 1.462 -6.415 1.00 1.15 C ATOM 1534 CD2 TYR A 96 8.157 1.950 -8.329 1.00 64.10 C ATOM 1535 CE1 TYR A 96 10.247 2.594 -6.648 1.00 25.13 C ATOM 1536 CE2 TYR A 96 8.909 3.085 -8.567 1.00 73.24 C ATOM 1537 CZ TYR A 96 9.953 3.401 -7.724 1.00 5.12 C ATOM 1538 OH TYR A 96 10.709 4.529 -7.959 1.00 12.31 O ATOM 0 H TYR A 96 7.799 -1.072 -9.331 1.00 61.02 H new ATOM 0 HA TYR A 96 9.334 -1.435 -6.891 1.00 1.45 H new ATOM 0 HB2 TYR A 96 6.688 -0.075 -7.563 1.00 75.43 H new ATOM 0 HB3 TYR A 96 7.325 -0.147 -5.932 1.00 75.43 H new ATOM 0 HD1 TYR A 96 9.729 0.832 -5.570 1.00 1.15 H new ATOM 0 HD2 TYR A 96 7.341 1.705 -8.992 1.00 64.10 H new ATOM 0 HE1 TYR A 96 11.065 2.846 -5.989 1.00 25.13 H new ATOM 0 HE2 TYR A 96 8.680 3.721 -9.409 1.00 73.24 H new ATOM 0 HH TYR A 96 10.997 4.540 -8.896 1.00 12.31 H new ATOM 1548 N LYS A 97 7.430 -3.719 -7.470 1.00 63.32 N ATOM 1549 CA LYS A 97 6.757 -4.929 -6.976 1.00 72.44 C ATOM 1550 C LYS A 97 7.524 -5.581 -5.813 1.00 14.45 C ATOM 1551 O LYS A 97 8.759 -5.658 -5.820 1.00 4.52 O ATOM 1552 CB LYS A 97 6.578 -5.954 -8.110 1.00 52.24 C ATOM 1553 CG LYS A 97 7.872 -6.304 -8.842 1.00 70.13 C ATOM 1554 CD LYS A 97 7.680 -7.407 -9.889 1.00 52.42 C ATOM 1555 CE LYS A 97 6.669 -7.030 -10.979 1.00 75.14 C ATOM 1556 NZ LYS A 97 5.260 -7.166 -10.521 1.00 22.14 N ATOM 0 H LYS A 97 7.767 -3.789 -8.430 1.00 63.32 H new ATOM 0 HA LYS A 97 5.779 -4.619 -6.607 1.00 72.44 H new ATOM 0 HB2 LYS A 97 6.149 -6.866 -7.696 1.00 52.24 H new ATOM 0 HB3 LYS A 97 5.860 -5.562 -8.830 1.00 52.24 H new ATOM 0 HG2 LYS A 97 8.262 -5.410 -9.329 1.00 70.13 H new ATOM 0 HG3 LYS A 97 8.620 -6.624 -8.116 1.00 70.13 H new ATOM 0 HD2 LYS A 97 8.640 -7.630 -10.354 1.00 52.42 H new ATOM 0 HD3 LYS A 97 7.347 -8.318 -9.392 1.00 52.42 H new ATOM 0 HE2 LYS A 97 6.847 -6.002 -11.295 1.00 75.14 H new ATOM 0 HE3 LYS A 97 6.827 -7.664 -11.851 1.00 75.14 H new ATOM 0 HZ1 LYS A 97 4.720 -7.718 -11.218 1.00 22.14 H new ATOM 0 HZ2 LYS A 97 5.239 -7.653 -9.602 1.00 22.14 H new ATOM 0 HZ3 LYS A 97 4.834 -6.222 -10.423 1.00 22.14 H new ATOM 1570 N TRP A 98 6.781 -6.045 -4.816 1.00 65.11 N ATOM 1571 CA TRP A 98 7.358 -6.762 -3.679 1.00 73.12 C ATOM 1572 C TRP A 98 7.541 -8.254 -3.995 1.00 13.55 C ATOM 1573 O TRP A 98 6.589 -8.939 -4.376 1.00 62.03 O ATOM 1574 CB TRP A 98 6.461 -6.586 -2.446 1.00 71.23 C ATOM 1575 CG TRP A 98 6.895 -7.386 -1.250 1.00 1.43 C ATOM 1576 CD1 TRP A 98 8.168 -7.557 -0.789 1.00 42.41 C ATOM 1577 CD2 TRP A 98 6.047 -8.113 -0.355 1.00 62.04 C ATOM 1578 NE1 TRP A 98 8.162 -8.347 0.334 1.00 41.20 N ATOM 1579 CE2 TRP A 98 6.871 -8.698 0.623 1.00 23.01 C ATOM 1580 CE3 TRP A 98 4.671 -8.319 -0.286 1.00 53.41 C ATOM 1581 CZ2 TRP A 98 6.361 -9.479 1.657 1.00 51.31 C ATOM 1582 CZ3 TRP A 98 4.164 -9.093 0.739 1.00 21.12 C ATOM 1583 CH2 TRP A 98 5.007 -9.665 1.701 1.00 61.44 C ATOM 0 H TRP A 98 5.768 -5.937 -4.770 1.00 65.11 H new ATOM 0 HA TRP A 98 8.343 -6.342 -3.473 1.00 73.12 H new ATOM 0 HB2 TRP A 98 6.438 -5.531 -2.175 1.00 71.23 H new ATOM 0 HB3 TRP A 98 5.442 -6.869 -2.708 1.00 71.23 H new ATOM 0 HD1 TRP A 98 9.052 -7.133 -1.242 1.00 42.41 H new ATOM 0 HE1 TRP A 98 8.986 -8.627 0.866 1.00 41.20 H new ATOM 0 HE3 TRP A 98 4.012 -7.881 -1.021 1.00 53.41 H new ATOM 0 HZ2 TRP A 98 7.011 -9.922 2.397 1.00 51.31 H new ATOM 0 HZ3 TRP A 98 3.099 -9.260 0.800 1.00 21.12 H new ATOM 0 HH2 TRP A 98 4.580 -10.264 2.492 1.00 61.44 H new ATOM 1594 N GLN A 99 8.770 -8.748 -3.836 1.00 11.34 N ATOM 1595 CA GLN A 99 9.078 -10.167 -4.055 1.00 41.40 C ATOM 1596 C GLN A 99 9.489 -10.857 -2.739 1.00 14.33 C ATOM 1597 O GLN A 99 10.630 -10.725 -2.286 1.00 71.14 O ATOM 1598 CB GLN A 99 10.198 -10.314 -5.097 1.00 53.34 C ATOM 1599 CG GLN A 99 10.631 -11.759 -5.331 1.00 60.02 C ATOM 1600 CD GLN A 99 11.701 -11.892 -6.399 1.00 23.14 C ATOM 1601 OE1 GLN A 99 12.893 -11.847 -6.115 1.00 60.23 O ATOM 1602 NE2 GLN A 99 11.282 -12.065 -7.636 1.00 54.41 N ATOM 0 H GLN A 99 9.573 -8.186 -3.555 1.00 11.34 H new ATOM 0 HA GLN A 99 8.176 -10.653 -4.428 1.00 41.40 H new ATOM 0 HB2 GLN A 99 9.862 -9.887 -6.042 1.00 53.34 H new ATOM 0 HB3 GLN A 99 11.062 -9.733 -4.774 1.00 53.34 H new ATOM 0 HG2 GLN A 99 11.005 -12.176 -4.396 1.00 60.02 H new ATOM 0 HG3 GLN A 99 9.762 -12.351 -5.619 1.00 60.02 H new ATOM 0 HE21 GLN A 99 10.282 -12.097 -7.836 1.00 54.41 H new ATOM 0 HE22 GLN A 99 11.957 -12.166 -8.394 1.00 54.41 H new ATOM 1611 N PRO A 100 8.552 -11.572 -2.087 1.00 0.44 N ATOM 1612 CA PRO A 100 8.833 -12.326 -0.862 1.00 65.32 C ATOM 1613 C PRO A 100 9.208 -13.795 -1.125 1.00 70.21 C ATOM 1614 O PRO A 100 9.147 -14.279 -2.262 1.00 41.44 O ATOM 1615 CB PRO A 100 7.491 -12.241 -0.136 1.00 11.34 C ATOM 1616 CG PRO A 100 6.470 -12.274 -1.233 1.00 41.23 C ATOM 1617 CD PRO A 100 7.127 -11.676 -2.463 1.00 41.11 C ATOM 0 HA PRO A 100 9.687 -11.929 -0.313 1.00 65.32 H new ATOM 0 HB2 PRO A 100 7.359 -13.074 0.554 1.00 11.34 H new ATOM 0 HB3 PRO A 100 7.414 -11.326 0.451 1.00 11.34 H new ATOM 0 HG2 PRO A 100 6.144 -13.296 -1.427 1.00 41.23 H new ATOM 0 HG3 PRO A 100 5.584 -11.705 -0.953 1.00 41.23 H new ATOM 0 HD2 PRO A 100 6.990 -12.311 -3.338 1.00 41.11 H new ATOM 0 HD3 PRO A 100 6.706 -10.701 -2.707 1.00 41.11 H new