USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 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 MET CE :methyl 180:sc= -0.133 (180deg=0) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -73:sc= 0.128 USER MOD Single : A 21 ASN : amide:sc= -0.0752 X(o=-0.075,f=-0.39) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -19:sc= -0.0568 USER MOD Single : A 46 HIS : no HD1:sc= -4.58! C(o=-4.6!,f=-5.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.72) USER MOD Single : A 57 SER OG : rot 180:sc= -1.01 USER MOD Single : A 59 ASN : amide:sc= -3.2! C(o=-3.2!,f=-4.4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 68 HIS : no HD1:sc= -2.74! K(o=-2.7!,f=-1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 158:sc= -0.0507 (180deg=-0.37) USER MOD Single : A 79 GLN : amide:sc= -0.0363 K(o=-0.036,f=-1.1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 168:sc=-0.000354 (180deg=-0.0924) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.123 -3.163 -10.096 1.00 0.00 N ATOM 60 CA GLY A 7 -5.782 -2.168 -9.269 1.00 0.00 C ATOM 61 C GLY A 7 -4.796 -1.292 -8.522 1.00 0.00 C ATOM 62 O GLY A 7 -4.763 -1.292 -7.291 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.418 -1.542 -9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.434 -2.669 -8.553 1.00 0.00 H new ATOM 66 N VAL A 8 -3.989 -0.543 -9.267 1.00 0.00 N ATOM 67 CA VAL A 8 -2.998 0.342 -8.667 1.00 0.00 C ATOM 68 C VAL A 8 -3.653 1.592 -8.092 1.00 0.00 C ATOM 69 O VAL A 8 -4.613 2.119 -8.655 1.00 0.00 O ATOM 70 CB VAL A 8 -1.928 0.762 -9.693 1.00 0.00 C ATOM 71 CG1 VAL A 8 -2.564 1.513 -10.852 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.854 1.608 -9.025 1.00 0.00 C ATOM 0 H VAL A 8 -4.002 -0.532 -10.287 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.521 -0.217 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.457 -0.138 -10.089 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.792 1.801 -11.566 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.293 0.871 -11.345 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.063 2.406 -10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.106 1.896 -9.764 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.308 2.503 -8.600 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.378 1.031 -8.232 1.00 0.00 H new ATOM 82 N VAL A 9 -3.128 2.064 -6.966 1.00 0.00 N ATOM 83 CA VAL A 9 -3.661 3.255 -6.314 1.00 0.00 C ATOM 84 C VAL A 9 -2.573 4.302 -6.107 1.00 0.00 C ATOM 85 O VAL A 9 -1.638 4.095 -5.334 1.00 0.00 O ATOM 86 CB VAL A 9 -4.294 2.913 -4.952 1.00 0.00 C ATOM 87 CG1 VAL A 9 -4.798 4.174 -4.266 1.00 0.00 C ATOM 88 CG2 VAL A 9 -5.420 1.905 -5.127 1.00 0.00 C ATOM 0 H VAL A 9 -2.334 1.640 -6.486 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.429 3.659 -6.973 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.530 2.464 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.242 3.913 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.965 4.859 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.548 4.655 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.856 1.674 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.186 2.325 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.025 0.992 -5.573 1.00 0.00 H new ATOM 98 N GLU A 10 -2.701 5.427 -6.804 1.00 0.00 N ATOM 99 CA GLU A 10 -1.728 6.507 -6.696 1.00 0.00 C ATOM 100 C GLU A 10 -2.224 7.595 -5.749 1.00 0.00 C ATOM 101 O GLU A 10 -3.240 8.243 -6.007 1.00 0.00 O ATOM 102 CB GLU A 10 -1.443 7.107 -8.075 1.00 0.00 C ATOM 103 CG GLU A 10 -0.080 7.769 -8.181 1.00 0.00 C ATOM 104 CD GLU A 10 -0.111 9.234 -7.792 1.00 0.00 C ATOM 105 OE1 GLU A 10 -0.114 9.525 -6.578 1.00 0.00 O ATOM 106 OE2 GLU A 10 -0.133 10.090 -8.702 1.00 0.00 O ATOM 0 H GLU A 10 -3.469 5.614 -7.449 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.806 6.090 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.515 6.320 -8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.214 7.842 -8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.627 7.242 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.286 7.676 -9.203 1.00 0.00 H new ATOM 113 N LEU A 11 -1.502 7.790 -4.651 1.00 0.00 N ATOM 114 CA LEU A 11 -1.869 8.799 -3.663 1.00 0.00 C ATOM 115 C LEU A 11 -0.916 9.989 -3.721 1.00 0.00 C ATOM 116 O LEU A 11 0.269 9.853 -4.025 1.00 0.00 O ATOM 117 CB LEU A 11 -1.861 8.193 -2.259 1.00 0.00 C ATOM 118 CG LEU A 11 -3.051 7.300 -1.907 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.742 6.460 -0.677 1.00 0.00 C ATOM 120 CD2 LEU A 11 -4.300 8.139 -1.682 1.00 0.00 C ATOM 0 H LEU A 11 -0.659 7.263 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.875 9.150 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.948 7.610 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.815 9.006 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.236 6.627 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.600 5.831 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.874 5.831 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.530 7.116 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.137 7.486 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.127 8.837 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.532 8.696 -2.590 1.00 0.00 H new ATOM 132 N PRO A 12 -1.444 11.185 -3.421 1.00 0.00 N ATOM 133 CA PRO A 12 -0.657 12.422 -3.430 1.00 0.00 C ATOM 134 C PRO A 12 0.355 12.473 -2.290 1.00 0.00 C ATOM 135 O PRO A 12 -0.016 12.475 -1.116 1.00 0.00 O ATOM 136 CB PRO A 12 -1.714 13.516 -3.256 1.00 0.00 C ATOM 137 CG PRO A 12 -2.844 12.843 -2.557 1.00 0.00 C ATOM 138 CD PRO A 12 -2.849 11.422 -3.050 1.00 0.00 C ATOM 0 HA PRO A 12 -0.066 12.522 -4.340 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.327 14.351 -2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.028 13.920 -4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.712 12.880 -1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.790 13.337 -2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.183 10.730 -2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.517 11.295 -3.902 1.00 0.00 H new ATOM 146 N LYS A 13 1.635 12.515 -2.643 1.00 0.00 N ATOM 147 CA LYS A 13 2.702 12.568 -1.651 1.00 0.00 C ATOM 148 C LYS A 13 2.511 13.753 -0.710 1.00 0.00 C ATOM 149 O LYS A 13 2.652 14.909 -1.112 1.00 0.00 O ATOM 150 CB LYS A 13 4.064 12.665 -2.341 1.00 0.00 C ATOM 151 CG LYS A 13 5.231 12.757 -1.373 1.00 0.00 C ATOM 152 CD LYS A 13 5.517 11.417 -0.715 1.00 0.00 C ATOM 153 CE LYS A 13 4.762 11.268 0.597 1.00 0.00 C ATOM 154 NZ LYS A 13 5.550 11.781 1.751 1.00 0.00 N ATOM 0 H LYS A 13 1.959 12.513 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 13 2.664 11.650 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.201 11.793 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.071 13.540 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.119 13.100 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.011 13.500 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.235 10.611 -1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.587 11.321 -0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.816 11.806 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.521 10.218 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.001 11.662 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.441 11.250 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.759 12.790 1.608 1.00 0.00 H new ATOM 168 N THR A 14 2.191 13.460 0.547 1.00 0.00 N ATOM 169 CA THR A 14 1.981 14.501 1.545 1.00 0.00 C ATOM 170 C THR A 14 2.639 14.132 2.870 1.00 0.00 C ATOM 171 O THR A 14 2.267 13.145 3.505 1.00 0.00 O ATOM 172 CB THR A 14 0.481 14.757 1.783 1.00 0.00 C ATOM 173 OG1 THR A 14 -0.221 13.512 1.870 1.00 0.00 O ATOM 174 CG2 THR A 14 -0.108 15.601 0.662 1.00 0.00 C ATOM 0 H THR A 14 2.072 12.510 0.898 1.00 0.00 H new ATOM 0 HA THR A 14 2.439 15.410 1.155 1.00 0.00 H new ATOM 0 HB THR A 14 0.372 15.301 2.721 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.287 13.111 0.978 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.168 15.769 0.852 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.409 16.560 0.618 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.013 15.080 -0.288 1.00 0.00 H new ATOM 182 N ASP A 15 3.616 14.932 3.283 1.00 0.00 N ATOM 183 CA ASP A 15 4.324 14.690 4.535 1.00 0.00 C ATOM 184 C ASP A 15 3.344 14.398 5.666 1.00 0.00 C ATOM 185 O ASP A 15 3.632 13.602 6.559 1.00 0.00 O ATOM 186 CB ASP A 15 5.193 15.897 4.895 1.00 0.00 C ATOM 187 CG ASP A 15 6.431 15.998 4.027 1.00 0.00 C ATOM 188 OD1 ASP A 15 7.391 15.236 4.271 1.00 0.00 O ATOM 189 OD2 ASP A 15 6.441 16.838 3.103 1.00 0.00 O ATOM 0 H ASP A 15 3.936 15.753 2.769 1.00 0.00 H new ATOM 0 HA ASP A 15 4.964 13.818 4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.605 16.809 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.491 15.827 5.941 1.00 0.00 H new ATOM 194 N GLU A 16 2.185 15.048 5.621 1.00 0.00 N ATOM 195 CA GLU A 16 1.163 14.858 6.644 1.00 0.00 C ATOM 196 C GLU A 16 0.916 13.374 6.898 1.00 0.00 C ATOM 197 O GLU A 16 0.830 12.935 8.044 1.00 0.00 O ATOM 198 CB GLU A 16 -0.142 15.539 6.225 1.00 0.00 C ATOM 199 CG GLU A 16 -1.349 15.090 7.032 1.00 0.00 C ATOM 200 CD GLU A 16 -1.068 15.036 8.521 1.00 0.00 C ATOM 201 OE1 GLU A 16 -0.430 15.978 9.038 1.00 0.00 O ATOM 202 OE2 GLU A 16 -1.485 14.054 9.170 1.00 0.00 O ATOM 0 H GLU A 16 1.931 15.710 4.888 1.00 0.00 H new ATOM 0 HA GLU A 16 1.522 15.312 7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.028 16.618 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.325 15.337 5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.179 15.772 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.664 14.104 6.690 1.00 0.00 H new ATOM 209 N GLY A 17 0.803 12.605 5.819 1.00 0.00 N ATOM 210 CA GLY A 17 0.567 11.179 5.945 1.00 0.00 C ATOM 211 C GLY A 17 -0.366 10.649 4.875 1.00 0.00 C ATOM 212 O GLY A 17 -0.904 11.415 4.075 1.00 0.00 O ATOM 0 H GLY A 17 0.871 12.945 4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.518 10.650 5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.144 10.969 6.928 1.00 0.00 H new ATOM 216 N LEU A 18 -0.558 9.334 4.858 1.00 0.00 N ATOM 217 CA LEU A 18 -1.432 8.702 3.876 1.00 0.00 C ATOM 218 C LEU A 18 -2.710 8.191 4.534 1.00 0.00 C ATOM 219 O LEU A 18 -3.793 8.273 3.957 1.00 0.00 O ATOM 220 CB LEU A 18 -0.704 7.547 3.185 1.00 0.00 C ATOM 221 CG LEU A 18 0.337 7.942 2.137 1.00 0.00 C ATOM 222 CD1 LEU A 18 -0.321 8.679 0.982 1.00 0.00 C ATOM 223 CD2 LEU A 18 1.428 8.797 2.766 1.00 0.00 C ATOM 0 H LEU A 18 -0.120 8.686 5.513 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.703 9.451 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.211 6.945 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.448 6.909 2.707 1.00 0.00 H new ATOM 0 HG LEU A 18 0.795 7.033 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.436 8.952 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.065 8.033 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.806 9.581 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.160 9.069 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.986 9.701 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.920 8.234 3.559 1.00 0.00 H new ATOM 235 N GLY A 19 -2.575 7.663 5.747 1.00 0.00 N ATOM 236 CA GLY A 19 -3.727 7.149 6.465 1.00 0.00 C ATOM 237 C GLY A 19 -3.886 5.650 6.307 1.00 0.00 C ATOM 238 O GLY A 19 -5.003 5.146 6.187 1.00 0.00 O ATOM 0 H GLY A 19 -1.689 7.582 6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.630 7.392 7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.627 7.647 6.105 1.00 0.00 H new ATOM 242 N PHE A 20 -2.766 4.934 6.305 1.00 0.00 N ATOM 243 CA PHE A 20 -2.786 3.484 6.157 1.00 0.00 C ATOM 244 C PHE A 20 -1.645 2.842 6.942 1.00 0.00 C ATOM 245 O PHE A 20 -0.612 3.467 7.180 1.00 0.00 O ATOM 246 CB PHE A 20 -2.683 3.098 4.680 1.00 0.00 C ATOM 247 CG PHE A 20 -1.292 3.216 4.125 1.00 0.00 C ATOM 248 CD1 PHE A 20 -0.765 4.455 3.799 1.00 0.00 C ATOM 249 CD2 PHE A 20 -0.513 2.088 3.928 1.00 0.00 C ATOM 250 CE1 PHE A 20 0.514 4.567 3.289 1.00 0.00 C ATOM 251 CE2 PHE A 20 0.767 2.194 3.419 1.00 0.00 C ATOM 252 CZ PHE A 20 1.281 3.435 3.097 1.00 0.00 C ATOM 0 H PHE A 20 -1.833 5.335 6.404 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.732 3.117 6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.029 2.072 4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.352 3.733 4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.361 5.344 3.945 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.911 1.115 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.914 5.539 3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.365 1.307 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.280 3.520 2.696 1.00 0.00 H new ATOM 262 N ASN A 21 -1.842 1.590 7.343 1.00 0.00 N ATOM 263 CA ASN A 21 -0.831 0.863 8.103 1.00 0.00 C ATOM 264 C ASN A 21 -0.630 -0.540 7.537 1.00 0.00 C ATOM 265 O ASN A 21 -1.592 -1.281 7.331 1.00 0.00 O ATOM 266 CB ASN A 21 -1.234 0.778 9.576 1.00 0.00 C ATOM 267 CG ASN A 21 -1.640 2.124 10.144 1.00 0.00 C ATOM 268 OD1 ASN A 21 -2.750 2.600 9.908 1.00 0.00 O ATOM 269 ND2 ASN A 21 -0.738 2.745 10.896 1.00 0.00 N ATOM 0 H ASN A 21 -2.692 1.058 7.155 1.00 0.00 H new ATOM 0 HA ASN A 21 0.110 1.407 8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.062 0.077 9.683 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.401 0.379 10.155 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.954 3.654 11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.170 2.312 11.065 1.00 0.00 H new ATOM 276 N ILE A 22 0.625 -0.897 7.288 1.00 0.00 N ATOM 277 CA ILE A 22 0.952 -2.211 6.748 1.00 0.00 C ATOM 278 C ILE A 22 1.698 -3.057 7.774 1.00 0.00 C ATOM 279 O ILE A 22 2.368 -2.528 8.661 1.00 0.00 O ATOM 280 CB ILE A 22 1.808 -2.098 5.473 1.00 0.00 C ATOM 281 CG1 ILE A 22 3.076 -1.287 5.753 1.00 0.00 C ATOM 282 CG2 ILE A 22 1.004 -1.461 4.349 1.00 0.00 C ATOM 283 CD1 ILE A 22 4.113 -1.388 4.657 1.00 0.00 C ATOM 0 H ILE A 22 1.432 -0.295 7.451 1.00 0.00 H new ATOM 0 HA ILE A 22 0.007 -2.694 6.500 1.00 0.00 H new ATOM 0 HB ILE A 22 2.101 -3.100 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.805 -0.240 5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.516 -1.628 6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.623 -1.388 3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.128 -2.074 4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.684 -0.464 4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.983 -0.788 4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.413 -2.429 4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.691 -1.020 3.722 1.00 0.00 H new ATOM 295 N MET A 23 1.578 -4.374 7.646 1.00 0.00 N ATOM 296 CA MET A 23 2.243 -5.294 8.561 1.00 0.00 C ATOM 297 C MET A 23 2.614 -6.593 7.852 1.00 0.00 C ATOM 298 O MET A 23 1.898 -7.052 6.963 1.00 0.00 O ATOM 299 CB MET A 23 1.343 -5.594 9.761 1.00 0.00 C ATOM 300 CG MET A 23 0.193 -6.534 9.439 1.00 0.00 C ATOM 301 SD MET A 23 0.643 -8.271 9.624 1.00 0.00 S ATOM 302 CE MET A 23 -0.782 -8.897 10.509 1.00 0.00 C ATOM 0 H MET A 23 1.027 -4.828 6.918 1.00 0.00 H new ATOM 0 HA MET A 23 3.158 -4.818 8.913 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.946 -6.031 10.557 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.939 -4.657 10.145 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.649 -6.309 10.094 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.141 -6.356 8.417 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.653 -9.963 10.698 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.882 -8.369 11.457 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.679 -8.741 9.911 1.00 0.00 H new ATOM 312 N GLY A 24 3.738 -7.181 8.252 1.00 0.00 N ATOM 313 CA GLY A 24 4.184 -8.420 7.644 1.00 0.00 C ATOM 314 C GLY A 24 5.148 -8.189 6.498 1.00 0.00 C ATOM 315 O GLY A 24 5.193 -7.102 5.924 1.00 0.00 O ATOM 0 H GLY A 24 4.347 -6.821 8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.666 -9.040 8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.319 -8.975 7.281 1.00 0.00 H new ATOM 394 N SER A 30 5.688 -13.812 5.341 1.00 0.00 N ATOM 395 CA SER A 30 4.329 -13.291 5.248 1.00 0.00 C ATOM 396 C SER A 30 4.252 -12.151 4.237 1.00 0.00 C ATOM 397 O SER A 30 5.086 -11.245 4.220 1.00 0.00 O ATOM 398 CB SER A 30 3.852 -12.807 6.618 1.00 0.00 C ATOM 399 OG SER A 30 2.515 -12.339 6.557 1.00 0.00 O ATOM 0 HA SER A 30 3.679 -14.098 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.923 -13.621 7.340 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.504 -12.009 6.972 1.00 0.00 H new ATOM 0 HG SER A 30 2.233 -12.037 7.446 1.00 0.00 H new ATOM 405 N PRO A 31 3.227 -12.194 3.374 1.00 0.00 N ATOM 406 CA PRO A 31 3.015 -11.173 2.344 1.00 0.00 C ATOM 407 C PRO A 31 2.588 -9.834 2.935 1.00 0.00 C ATOM 408 O PRO A 31 1.876 -9.787 3.940 1.00 0.00 O ATOM 409 CB PRO A 31 1.892 -11.762 1.487 1.00 0.00 C ATOM 410 CG PRO A 31 1.161 -12.683 2.401 1.00 0.00 C ATOM 411 CD PRO A 31 2.195 -13.244 3.337 1.00 0.00 C ATOM 0 HA PRO A 31 3.927 -10.960 1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.235 -10.981 1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.291 -12.295 0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.384 -12.152 2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.668 -13.478 1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.780 -13.435 4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.597 -14.189 2.972 1.00 0.00 H new ATOM 419 N ILE A 32 3.025 -8.748 2.307 1.00 0.00 N ATOM 420 CA ILE A 32 2.686 -7.409 2.770 1.00 0.00 C ATOM 421 C ILE A 32 1.269 -7.026 2.357 1.00 0.00 C ATOM 422 O ILE A 32 0.865 -7.240 1.214 1.00 0.00 O ATOM 423 CB ILE A 32 3.670 -6.357 2.223 1.00 0.00 C ATOM 424 CG1 ILE A 32 5.103 -6.711 2.625 1.00 0.00 C ATOM 425 CG2 ILE A 32 3.298 -4.971 2.728 1.00 0.00 C ATOM 426 CD1 ILE A 32 6.150 -6.128 1.701 1.00 0.00 C ATOM 0 H ILE A 32 3.615 -8.770 1.475 1.00 0.00 H new ATOM 0 HA ILE A 32 2.753 -7.426 3.858 1.00 0.00 H new ATOM 0 HB ILE A 32 3.609 -6.353 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.286 -6.355 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.209 -7.796 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.002 -4.239 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.290 -4.721 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.335 -4.959 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.142 -6.419 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.993 -6.503 0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.070 -5.041 1.701 1.00 0.00 H new ATOM 438 N TYR A 33 0.518 -6.458 3.294 1.00 0.00 N ATOM 439 CA TYR A 33 -0.855 -6.046 3.028 1.00 0.00 C ATOM 440 C TYR A 33 -1.301 -4.970 4.014 1.00 0.00 C ATOM 441 O TYR A 33 -0.616 -4.692 4.998 1.00 0.00 O ATOM 442 CB TYR A 33 -1.795 -7.249 3.109 1.00 0.00 C ATOM 443 CG TYR A 33 -1.646 -8.051 4.382 1.00 0.00 C ATOM 444 CD1 TYR A 33 -2.187 -7.597 5.579 1.00 0.00 C ATOM 445 CD2 TYR A 33 -0.966 -9.262 4.388 1.00 0.00 C ATOM 446 CE1 TYR A 33 -2.052 -8.325 6.745 1.00 0.00 C ATOM 447 CE2 TYR A 33 -0.828 -9.998 5.549 1.00 0.00 C ATOM 448 CZ TYR A 33 -1.372 -9.525 6.725 1.00 0.00 C ATOM 449 OH TYR A 33 -1.237 -10.254 7.884 1.00 0.00 O ATOM 0 H TYR A 33 0.837 -6.272 4.245 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.895 -5.630 2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.825 -6.901 3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.611 -7.901 2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.722 -6.659 5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.538 -9.635 3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.476 -7.957 7.667 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.297 -10.938 5.536 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.733 -11.074 7.698 1.00 0.00 H new ATOM 459 N ILE A 34 -2.456 -4.371 3.742 1.00 0.00 N ATOM 460 CA ILE A 34 -2.995 -3.327 4.605 1.00 0.00 C ATOM 461 C ILE A 34 -3.543 -3.915 5.901 1.00 0.00 C ATOM 462 O ILE A 34 -4.520 -4.664 5.891 1.00 0.00 O ATOM 463 CB ILE A 34 -4.114 -2.537 3.900 1.00 0.00 C ATOM 464 CG1 ILE A 34 -3.602 -1.952 2.582 1.00 0.00 C ATOM 465 CG2 ILE A 34 -4.635 -1.433 4.808 1.00 0.00 C ATOM 466 CD1 ILE A 34 -2.581 -0.851 2.765 1.00 0.00 C ATOM 0 H ILE A 34 -3.036 -4.591 2.932 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.172 -2.650 4.835 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.936 -3.218 3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.160 -2.751 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.447 -1.562 2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.425 -0.884 4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.032 -1.872 5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.821 -0.752 5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.263 -0.484 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.025 -0.034 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.718 -1.241 3.305 1.00 0.00 H new ATOM 478 N SER A 35 -2.908 -3.568 7.016 1.00 0.00 N ATOM 479 CA SER A 35 -3.331 -4.062 8.322 1.00 0.00 C ATOM 480 C SER A 35 -4.451 -3.198 8.893 1.00 0.00 C ATOM 481 O SER A 35 -5.496 -3.707 9.299 1.00 0.00 O ATOM 482 CB SER A 35 -2.145 -4.086 9.289 1.00 0.00 C ATOM 483 OG SER A 35 -1.525 -2.814 9.367 1.00 0.00 O ATOM 0 H SER A 35 -2.099 -2.947 7.042 1.00 0.00 H new ATOM 0 HA SER A 35 -3.708 -5.077 8.195 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.485 -4.390 10.279 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.418 -4.829 8.960 1.00 0.00 H new ATOM 0 HG SER A 35 -1.779 -2.278 8.587 1.00 0.00 H new ATOM 489 N ARG A 36 -4.224 -1.889 8.921 1.00 0.00 N ATOM 490 CA ARG A 36 -5.213 -0.954 9.444 1.00 0.00 C ATOM 491 C ARG A 36 -5.411 0.219 8.488 1.00 0.00 C ATOM 492 O ARG A 36 -4.507 0.578 7.733 1.00 0.00 O ATOM 493 CB ARG A 36 -4.782 -0.438 10.818 1.00 0.00 C ATOM 494 CG ARG A 36 -5.670 0.671 11.358 1.00 0.00 C ATOM 495 CD ARG A 36 -7.009 0.130 11.835 1.00 0.00 C ATOM 496 NE ARG A 36 -6.923 -0.436 13.179 1.00 0.00 N ATOM 497 CZ ARG A 36 -7.958 -0.970 13.818 1.00 0.00 C ATOM 498 NH1 ARG A 36 -9.150 -1.010 13.240 1.00 0.00 N ATOM 499 NH2 ARG A 36 -7.800 -1.465 15.039 1.00 0.00 N ATOM 0 H ARG A 36 -3.365 -1.452 8.588 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.160 -1.484 9.543 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.781 -1.268 11.525 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.757 -0.073 10.754 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.165 1.174 12.183 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.834 1.418 10.581 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.748 0.931 11.826 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.359 -0.634 11.141 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.020 -0.420 13.652 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.275 -0.630 12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.943 -1.421 13.733 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.884 -1.435 15.487 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.595 -1.875 15.530 1.00 0.00 H new ATOM 513 N VAL A 37 -6.600 0.812 8.524 1.00 0.00 N ATOM 514 CA VAL A 37 -6.917 1.944 7.662 1.00 0.00 C ATOM 515 C VAL A 37 -7.689 3.016 8.424 1.00 0.00 C ATOM 516 O VAL A 37 -8.606 2.710 9.187 1.00 0.00 O ATOM 517 CB VAL A 37 -7.742 1.504 6.439 1.00 0.00 C ATOM 518 CG1 VAL A 37 -8.057 2.697 5.549 1.00 0.00 C ATOM 519 CG2 VAL A 37 -7.005 0.426 5.658 1.00 0.00 C ATOM 0 H VAL A 37 -7.360 0.527 9.142 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.968 2.358 7.321 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.685 1.085 6.791 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.641 2.366 4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.629 3.432 6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.127 3.149 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.603 0.127 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.046 0.816 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.837 -0.438 6.301 1.00 0.00 H new ATOM 529 N ILE A 38 -7.312 4.272 8.211 1.00 0.00 N ATOM 530 CA ILE A 38 -7.971 5.389 8.876 1.00 0.00 C ATOM 531 C ILE A 38 -9.345 5.656 8.272 1.00 0.00 C ATOM 532 O ILE A 38 -9.518 5.696 7.053 1.00 0.00 O ATOM 533 CB ILE A 38 -7.126 6.674 8.788 1.00 0.00 C ATOM 534 CG1 ILE A 38 -5.650 6.357 9.037 1.00 0.00 C ATOM 535 CG2 ILE A 38 -7.627 7.707 9.786 1.00 0.00 C ATOM 536 CD1 ILE A 38 -5.377 5.790 10.412 1.00 0.00 C ATOM 0 H ILE A 38 -6.554 4.542 7.584 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.085 5.109 9.923 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.225 7.089 7.785 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.308 5.646 8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.064 7.267 8.905 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.020 8.609 9.712 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.667 7.950 9.567 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.554 7.303 10.796 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.311 5.589 10.518 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.688 6.509 11.170 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.935 4.863 10.541 1.00 0.00 H new ATOM 548 N PRO A 39 -10.348 5.846 9.142 1.00 0.00 N ATOM 549 CA PRO A 39 -11.725 6.115 8.718 1.00 0.00 C ATOM 550 C PRO A 39 -11.878 7.496 8.090 1.00 0.00 C ATOM 551 O PRO A 39 -12.989 7.935 7.795 1.00 0.00 O ATOM 552 CB PRO A 39 -12.521 6.030 10.022 1.00 0.00 C ATOM 553 CG PRO A 39 -11.534 6.349 11.091 1.00 0.00 C ATOM 554 CD PRO A 39 -10.214 5.813 10.609 1.00 0.00 C ATOM 0 HA PRO A 39 -12.060 5.415 7.952 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.351 6.737 10.026 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.948 5.037 10.161 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.479 7.424 11.263 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.820 5.889 12.037 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.382 6.428 10.951 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.034 4.802 10.974 1.00 0.00 H new ATOM 562 N GLY A 40 -10.754 8.178 7.887 1.00 0.00 N ATOM 563 CA GLY A 40 -10.787 9.502 7.294 1.00 0.00 C ATOM 564 C GLY A 40 -9.405 10.007 6.928 1.00 0.00 C ATOM 565 O GLY A 40 -9.036 11.129 7.270 1.00 0.00 O ATOM 0 H GLY A 40 -9.822 7.837 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.411 9.481 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.252 10.198 7.992 1.00 0.00 H new ATOM 569 N GLY A 41 -8.638 9.175 6.230 1.00 0.00 N ATOM 570 CA GLY A 41 -7.298 9.560 5.830 1.00 0.00 C ATOM 571 C GLY A 41 -7.147 9.656 4.325 1.00 0.00 C ATOM 572 O GLY A 41 -7.988 9.159 3.576 1.00 0.00 O ATOM 0 H GLY A 41 -8.921 8.241 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.051 10.522 6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.584 8.834 6.218 1.00 0.00 H new ATOM 576 N VAL A 42 -6.071 10.298 3.879 1.00 0.00 N ATOM 577 CA VAL A 42 -5.813 10.458 2.453 1.00 0.00 C ATOM 578 C VAL A 42 -6.153 9.184 1.687 1.00 0.00 C ATOM 579 O VAL A 42 -6.697 9.238 0.584 1.00 0.00 O ATOM 580 CB VAL A 42 -4.341 10.826 2.187 1.00 0.00 C ATOM 581 CG1 VAL A 42 -4.076 10.922 0.693 1.00 0.00 C ATOM 582 CG2 VAL A 42 -3.985 12.130 2.885 1.00 0.00 C ATOM 0 H VAL A 42 -5.365 10.715 4.485 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.452 11.270 2.105 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.708 10.037 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.031 11.183 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.291 9.962 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.716 11.690 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.942 12.376 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.624 12.930 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.134 12.020 3.959 1.00 0.00 H new ATOM 592 N ALA A 43 -5.829 8.040 2.279 1.00 0.00 N ATOM 593 CA ALA A 43 -6.102 6.752 1.653 1.00 0.00 C ATOM 594 C ALA A 43 -7.602 6.500 1.548 1.00 0.00 C ATOM 595 O ALA A 43 -8.145 6.377 0.450 1.00 0.00 O ATOM 596 CB ALA A 43 -5.431 5.632 2.435 1.00 0.00 C ATOM 0 H ALA A 43 -5.377 7.978 3.191 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.691 6.772 0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.643 4.676 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.354 5.797 2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.815 5.620 3.455 1.00 0.00 H new ATOM 602 N ASP A 44 -8.267 6.424 2.696 1.00 0.00 N ATOM 603 CA ASP A 44 -9.705 6.187 2.732 1.00 0.00 C ATOM 604 C ASP A 44 -10.428 7.075 1.724 1.00 0.00 C ATOM 605 O ASP A 44 -11.139 6.583 0.847 1.00 0.00 O ATOM 606 CB ASP A 44 -10.250 6.444 4.138 1.00 0.00 C ATOM 607 CG ASP A 44 -11.581 5.758 4.377 1.00 0.00 C ATOM 608 OD1 ASP A 44 -11.598 4.513 4.471 1.00 0.00 O ATOM 609 OD2 ASP A 44 -12.606 6.466 4.469 1.00 0.00 O ATOM 0 H ASP A 44 -7.833 6.523 3.614 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.883 5.145 2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.527 6.094 4.875 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.365 7.517 4.289 1.00 0.00 H new ATOM 614 N ARG A 45 -10.242 8.384 1.855 1.00 0.00 N ATOM 615 CA ARG A 45 -10.878 9.340 0.957 1.00 0.00 C ATOM 616 C ARG A 45 -10.648 8.952 -0.501 1.00 0.00 C ATOM 617 O ARG A 45 -11.596 8.816 -1.275 1.00 0.00 O ATOM 618 CB ARG A 45 -10.339 10.749 1.212 1.00 0.00 C ATOM 619 CG ARG A 45 -10.620 11.264 2.613 1.00 0.00 C ATOM 620 CD ARG A 45 -10.040 12.654 2.823 1.00 0.00 C ATOM 621 NE ARG A 45 -10.753 13.668 2.051 1.00 0.00 N ATOM 622 CZ ARG A 45 -10.224 14.836 1.705 1.00 0.00 C ATOM 623 NH1 ARG A 45 -8.983 15.136 2.061 1.00 0.00 N ATOM 624 NH2 ARG A 45 -10.937 15.706 1.002 1.00 0.00 N ATOM 0 H ARG A 45 -9.656 8.807 2.575 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.950 9.328 1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.262 10.753 1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.779 11.434 0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.696 11.288 2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.196 10.577 3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.083 12.908 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.988 12.655 2.538 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.710 13.468 1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.432 14.469 2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.579 16.034 1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.892 15.478 0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.530 16.603 0.737 1.00 0.00 H new ATOM 638 N HIS A 46 -9.383 8.776 -0.869 1.00 0.00 N ATOM 639 CA HIS A 46 -9.029 8.404 -2.234 1.00 0.00 C ATOM 640 C HIS A 46 -10.004 7.367 -2.785 1.00 0.00 C ATOM 641 O HIS A 46 -10.513 7.509 -3.896 1.00 0.00 O ATOM 642 CB HIS A 46 -7.602 7.855 -2.281 1.00 0.00 C ATOM 643 CG HIS A 46 -7.193 7.367 -3.637 1.00 0.00 C ATOM 644 ND1 HIS A 46 -7.766 6.272 -4.248 1.00 0.00 N ATOM 645 CD2 HIS A 46 -6.262 7.834 -4.502 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.204 6.084 -5.428 1.00 0.00 C ATOM 647 NE2 HIS A 46 -6.288 7.019 -5.607 1.00 0.00 N ATOM 0 H HIS A 46 -8.586 8.885 -0.241 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.088 9.298 -2.855 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.911 8.634 -1.961 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.513 7.036 -1.567 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.619 8.688 -4.351 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.451 5.299 -6.128 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.696 7.119 -6.432 1.00 0.00 H new ATOM 655 N GLY A 47 -10.258 6.325 -2.000 1.00 0.00 N ATOM 656 CA GLY A 47 -11.170 5.280 -2.427 1.00 0.00 C ATOM 657 C GLY A 47 -10.497 4.248 -3.311 1.00 0.00 C ATOM 658 O GLY A 47 -10.813 4.134 -4.494 1.00 0.00 O ATOM 0 H GLY A 47 -9.849 6.186 -1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.587 4.786 -1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.004 5.728 -2.967 1.00 0.00 H new ATOM 662 N GLY A 48 -9.564 3.496 -2.736 1.00 0.00 N ATOM 663 CA GLY A 48 -8.858 2.480 -3.494 1.00 0.00 C ATOM 664 C GLY A 48 -8.118 1.501 -2.604 1.00 0.00 C ATOM 665 O GLY A 48 -8.100 0.299 -2.872 1.00 0.00 O ATOM 0 H GLY A 48 -9.284 3.572 -1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.569 1.935 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.149 2.961 -4.168 1.00 0.00 H new ATOM 669 N LEU A 49 -7.505 2.015 -1.544 1.00 0.00 N ATOM 670 CA LEU A 49 -6.759 1.178 -0.611 1.00 0.00 C ATOM 671 C LEU A 49 -7.602 0.842 0.615 1.00 0.00 C ATOM 672 O LEU A 49 -8.176 1.728 1.249 1.00 0.00 O ATOM 673 CB LEU A 49 -5.471 1.882 -0.181 1.00 0.00 C ATOM 674 CG LEU A 49 -4.280 1.741 -1.129 1.00 0.00 C ATOM 675 CD1 LEU A 49 -3.261 2.840 -0.873 1.00 0.00 C ATOM 676 CD2 LEU A 49 -3.637 0.370 -0.978 1.00 0.00 C ATOM 0 H LEU A 49 -7.510 3.008 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.505 0.248 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.686 2.943 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.179 1.497 0.796 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.642 1.840 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.420 2.723 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.727 3.812 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.904 2.773 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.791 0.288 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.290 0.242 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.369 -0.403 -1.213 1.00 0.00 H new ATOM 688 N LYS A 50 -7.672 -0.443 0.944 1.00 0.00 N ATOM 689 CA LYS A 50 -8.442 -0.897 2.096 1.00 0.00 C ATOM 690 C LYS A 50 -7.751 -2.070 2.785 1.00 0.00 C ATOM 691 O LYS A 50 -6.902 -2.737 2.193 1.00 0.00 O ATOM 692 CB LYS A 50 -9.852 -1.306 1.664 1.00 0.00 C ATOM 693 CG LYS A 50 -10.696 -0.145 1.168 1.00 0.00 C ATOM 694 CD LYS A 50 -11.715 -0.597 0.135 1.00 0.00 C ATOM 695 CE LYS A 50 -12.987 -1.108 0.794 1.00 0.00 C ATOM 696 NZ LYS A 50 -13.961 -0.010 1.045 1.00 0.00 N ATOM 0 H LYS A 50 -7.205 -1.189 0.429 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.510 -0.071 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.779 -2.054 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.358 -1.779 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.211 0.317 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.049 0.617 0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.956 0.234 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.283 -1.384 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.448 -1.864 0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.737 -1.595 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.814 -0.399 1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.531 0.699 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.219 0.438 0.143 1.00 0.00 H new ATOM 710 N ARG A 51 -8.120 -2.316 4.038 1.00 0.00 N ATOM 711 CA ARG A 51 -7.535 -3.408 4.806 1.00 0.00 C ATOM 712 C ARG A 51 -7.670 -4.731 4.059 1.00 0.00 C ATOM 713 O ARG A 51 -8.771 -5.141 3.694 1.00 0.00 O ATOM 714 CB ARG A 51 -8.208 -3.513 6.176 1.00 0.00 C ATOM 715 CG ARG A 51 -7.764 -4.724 6.981 1.00 0.00 C ATOM 716 CD ARG A 51 -8.644 -4.933 8.203 1.00 0.00 C ATOM 717 NE ARG A 51 -8.375 -6.210 8.859 1.00 0.00 N ATOM 718 CZ ARG A 51 -9.100 -6.686 9.865 1.00 0.00 C ATOM 719 NH1 ARG A 51 -10.133 -5.995 10.328 1.00 0.00 N ATOM 720 NH2 ARG A 51 -8.793 -7.856 10.410 1.00 0.00 N ATOM 0 H ARG A 51 -8.821 -1.774 4.543 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.475 -3.195 4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.994 -2.609 6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.288 -3.555 6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.797 -5.613 6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.728 -4.594 7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.481 -4.120 8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.692 -4.891 7.906 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.588 -6.767 8.526 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.373 -5.095 9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.688 -6.363 11.101 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.000 -8.391 10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.350 -8.221 11.183 1.00 0.00 H new ATOM 734 N GLY A 52 -6.540 -5.396 3.834 1.00 0.00 N ATOM 735 CA GLY A 52 -6.553 -6.665 3.131 1.00 0.00 C ATOM 736 C GLY A 52 -5.784 -6.613 1.826 1.00 0.00 C ATOM 737 O GLY A 52 -5.146 -7.590 1.434 1.00 0.00 O ATOM 0 H GLY A 52 -5.616 -5.078 4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.124 -7.436 3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.584 -6.955 2.930 1.00 0.00 H new ATOM 741 N ASP A 53 -5.846 -5.471 1.150 1.00 0.00 N ATOM 742 CA ASP A 53 -5.150 -5.296 -0.120 1.00 0.00 C ATOM 743 C ASP A 53 -3.675 -5.661 0.014 1.00 0.00 C ATOM 744 O ASP A 53 -2.918 -4.980 0.704 1.00 0.00 O ATOM 745 CB ASP A 53 -5.289 -3.852 -0.606 1.00 0.00 C ATOM 746 CG ASP A 53 -6.711 -3.508 -1.000 1.00 0.00 C ATOM 747 OD1 ASP A 53 -7.646 -4.110 -0.432 1.00 0.00 O ATOM 748 OD2 ASP A 53 -6.890 -2.637 -1.878 1.00 0.00 O ATOM 0 H ASP A 53 -6.371 -4.653 1.460 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.606 -5.963 -0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.959 -3.174 0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.630 -3.694 -1.460 1.00 0.00 H new ATOM 753 N GLN A 54 -3.276 -6.741 -0.651 1.00 0.00 N ATOM 754 CA GLN A 54 -1.892 -7.197 -0.604 1.00 0.00 C ATOM 755 C GLN A 54 -1.003 -6.331 -1.490 1.00 0.00 C ATOM 756 O GLN A 54 -1.204 -6.252 -2.703 1.00 0.00 O ATOM 757 CB GLN A 54 -1.800 -8.660 -1.044 1.00 0.00 C ATOM 758 CG GLN A 54 -0.452 -9.299 -0.754 1.00 0.00 C ATOM 759 CD GLN A 54 -0.484 -10.810 -0.874 1.00 0.00 C ATOM 760 OE1 GLN A 54 -1.331 -11.474 -0.275 1.00 0.00 O ATOM 761 NE2 GLN A 54 0.441 -11.362 -1.650 1.00 0.00 N ATOM 0 H GLN A 54 -3.891 -7.315 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.542 -7.111 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.580 -9.232 -0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.000 -8.722 -2.114 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.291 -8.899 -1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.133 -9.025 0.252 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.124 -10.773 -2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.469 -12.375 -1.769 1.00 0.00 H new ATOM 770 N LEU A 55 -0.019 -5.682 -0.877 1.00 0.00 N ATOM 771 CA LEU A 55 0.902 -4.819 -1.610 1.00 0.00 C ATOM 772 C LEU A 55 1.768 -5.635 -2.565 1.00 0.00 C ATOM 773 O LEU A 55 2.556 -6.479 -2.138 1.00 0.00 O ATOM 774 CB LEU A 55 1.789 -4.043 -0.636 1.00 0.00 C ATOM 775 CG LEU A 55 2.514 -2.826 -1.212 1.00 0.00 C ATOM 776 CD1 LEU A 55 1.513 -1.772 -1.661 1.00 0.00 C ATOM 777 CD2 LEU A 55 3.479 -2.246 -0.189 1.00 0.00 C ATOM 0 H LEU A 55 0.162 -5.737 0.125 1.00 0.00 H new ATOM 0 HA LEU A 55 0.313 -4.113 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.173 -3.712 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.535 -4.727 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 55 3.088 -3.147 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.047 -0.913 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.862 -2.192 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.912 -1.455 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.986 -1.381 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.927 -1.941 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.217 -3.000 0.084 1.00 0.00 H new ATOM 789 N LEU A 56 1.617 -5.376 -3.859 1.00 0.00 N ATOM 790 CA LEU A 56 2.387 -6.084 -4.876 1.00 0.00 C ATOM 791 C LEU A 56 3.701 -5.364 -5.164 1.00 0.00 C ATOM 792 O LEU A 56 4.781 -5.931 -4.997 1.00 0.00 O ATOM 793 CB LEU A 56 1.571 -6.215 -6.163 1.00 0.00 C ATOM 794 CG LEU A 56 0.568 -7.368 -6.207 1.00 0.00 C ATOM 795 CD1 LEU A 56 -0.262 -7.305 -7.480 1.00 0.00 C ATOM 796 CD2 LEU A 56 1.287 -8.705 -6.102 1.00 0.00 C ATOM 0 H LEU A 56 0.969 -4.681 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 56 2.616 -7.080 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.030 -5.283 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.262 -6.329 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.104 -7.272 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.970 -8.133 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.807 -6.361 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.395 -7.375 -8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.557 -9.514 -6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.983 -8.810 -6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.836 -8.750 -5.162 1.00 0.00 H new ATOM 808 N SER A 57 3.600 -4.111 -5.596 1.00 0.00 N ATOM 809 CA SER A 57 4.780 -3.313 -5.909 1.00 0.00 C ATOM 810 C SER A 57 4.506 -1.828 -5.689 1.00 0.00 C ATOM 811 O SER A 57 3.431 -1.328 -6.021 1.00 0.00 O ATOM 812 CB SER A 57 5.216 -3.554 -7.355 1.00 0.00 C ATOM 813 OG SER A 57 5.439 -4.932 -7.597 1.00 0.00 O ATOM 0 H SER A 57 2.714 -3.627 -5.737 1.00 0.00 H new ATOM 0 HA SER A 57 5.583 -3.619 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.451 -3.181 -8.036 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.127 -2.993 -7.562 1.00 0.00 H new ATOM 0 HG SER A 57 5.715 -5.060 -8.529 1.00 0.00 H new ATOM 819 N VAL A 58 5.486 -1.129 -5.126 1.00 0.00 N ATOM 820 CA VAL A 58 5.353 0.299 -4.863 1.00 0.00 C ATOM 821 C VAL A 58 6.381 1.102 -5.651 1.00 0.00 C ATOM 822 O VAL A 58 7.534 0.693 -5.784 1.00 0.00 O ATOM 823 CB VAL A 58 5.515 0.610 -3.363 1.00 0.00 C ATOM 824 CG1 VAL A 58 5.315 2.095 -3.101 1.00 0.00 C ATOM 825 CG2 VAL A 58 4.542 -0.220 -2.539 1.00 0.00 C ATOM 0 H VAL A 58 6.381 -1.528 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 58 4.351 0.587 -5.181 1.00 0.00 H new ATOM 0 HB VAL A 58 6.529 0.345 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.433 2.296 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.054 2.666 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.314 2.389 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.670 0.012 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.520 0.012 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.737 -1.280 -2.704 1.00 0.00 H new ATOM 835 N ASN A 59 5.956 2.249 -6.172 1.00 0.00 N ATOM 836 CA ASN A 59 6.840 3.110 -6.948 1.00 0.00 C ATOM 837 C ASN A 59 7.526 2.324 -8.062 1.00 0.00 C ATOM 838 O ASN A 59 8.693 2.558 -8.373 1.00 0.00 O ATOM 839 CB ASN A 59 7.892 3.749 -6.038 1.00 0.00 C ATOM 840 CG ASN A 59 7.353 4.953 -5.289 1.00 0.00 C ATOM 841 OD1 ASN A 59 7.019 5.973 -5.890 1.00 0.00 O ATOM 842 ND2 ASN A 59 7.268 4.838 -3.968 1.00 0.00 N ATOM 0 H ASN A 59 5.005 2.603 -6.071 1.00 0.00 H new ATOM 0 HA ASN A 59 6.235 3.895 -7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.248 3.008 -5.322 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.751 4.052 -6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.914 5.615 -3.410 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.557 3.973 -3.512 1.00 0.00 H new ATOM 849 N GLY A 60 6.790 1.392 -8.659 1.00 0.00 N ATOM 850 CA GLY A 60 7.343 0.586 -9.732 1.00 0.00 C ATOM 851 C GLY A 60 8.425 -0.359 -9.249 1.00 0.00 C ATOM 852 O GLY A 60 9.336 -0.709 -10.000 1.00 0.00 O ATOM 0 H GLY A 60 5.821 1.181 -8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.544 0.010 -10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.754 1.241 -10.500 1.00 0.00 H new ATOM 856 N VAL A 61 8.328 -0.774 -7.990 1.00 0.00 N ATOM 857 CA VAL A 61 9.306 -1.684 -7.406 1.00 0.00 C ATOM 858 C VAL A 61 8.621 -2.851 -6.705 1.00 0.00 C ATOM 859 O VAL A 61 7.720 -2.656 -5.888 1.00 0.00 O ATOM 860 CB VAL A 61 10.217 -0.958 -6.399 1.00 0.00 C ATOM 861 CG1 VAL A 61 11.199 -1.933 -5.768 1.00 0.00 C ATOM 862 CG2 VAL A 61 10.954 0.188 -7.078 1.00 0.00 C ATOM 0 H VAL A 61 7.581 -0.494 -7.354 1.00 0.00 H new ATOM 0 HA VAL A 61 9.914 -2.064 -8.227 1.00 0.00 H new ATOM 0 HB VAL A 61 9.595 -0.542 -5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.834 -1.402 -5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.649 -2.716 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.818 -2.380 -6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 61 11.593 0.690 -6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.566 -0.204 -7.891 1.00 0.00 H new ATOM 0 HG23 VAL A 61 10.231 0.899 -7.478 1.00 0.00 H new ATOM 872 N SER A 62 9.053 -4.066 -7.029 1.00 0.00 N ATOM 873 CA SER A 62 8.479 -5.266 -6.432 1.00 0.00 C ATOM 874 C SER A 62 8.807 -5.343 -4.944 1.00 0.00 C ATOM 875 O SER A 62 9.956 -5.559 -4.559 1.00 0.00 O ATOM 876 CB SER A 62 9.001 -6.515 -7.145 1.00 0.00 C ATOM 877 OG SER A 62 8.854 -6.399 -8.550 1.00 0.00 O ATOM 0 H SER A 62 9.799 -4.245 -7.702 1.00 0.00 H new ATOM 0 HA SER A 62 7.396 -5.216 -6.546 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.052 -6.667 -6.897 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.460 -7.393 -6.791 1.00 0.00 H new ATOM 0 HG SER A 62 9.196 -7.209 -8.983 1.00 0.00 H new ATOM 883 N VAL A 63 7.787 -5.164 -4.110 1.00 0.00 N ATOM 884 CA VAL A 63 7.964 -5.213 -2.664 1.00 0.00 C ATOM 885 C VAL A 63 7.519 -6.558 -2.101 1.00 0.00 C ATOM 886 O VAL A 63 7.983 -6.984 -1.044 1.00 0.00 O ATOM 887 CB VAL A 63 7.178 -4.090 -1.963 1.00 0.00 C ATOM 888 CG1 VAL A 63 7.716 -2.727 -2.369 1.00 0.00 C ATOM 889 CG2 VAL A 63 5.694 -4.202 -2.279 1.00 0.00 C ATOM 0 H VAL A 63 6.829 -4.984 -4.412 1.00 0.00 H new ATOM 0 HA VAL A 63 9.028 -5.076 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 63 7.307 -4.198 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.148 -1.946 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.766 -2.652 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.620 -2.605 -3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.153 -3.401 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.544 -4.120 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.320 -5.165 -1.933 1.00 0.00 H new ATOM 899 N GLU A 64 6.615 -7.222 -2.816 1.00 0.00 N ATOM 900 CA GLU A 64 6.106 -8.520 -2.386 1.00 0.00 C ATOM 901 C GLU A 64 7.253 -9.477 -2.073 1.00 0.00 C ATOM 902 O GLU A 64 7.182 -10.257 -1.124 1.00 0.00 O ATOM 903 CB GLU A 64 5.206 -9.122 -3.467 1.00 0.00 C ATOM 904 CG GLU A 64 5.869 -9.213 -4.831 1.00 0.00 C ATOM 905 CD GLU A 64 6.728 -10.454 -4.980 1.00 0.00 C ATOM 906 OE1 GLU A 64 6.374 -11.495 -4.389 1.00 0.00 O ATOM 907 OE2 GLU A 64 7.754 -10.383 -5.689 1.00 0.00 O ATOM 0 H GLU A 64 6.221 -6.883 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 64 5.522 -8.371 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.896 -10.120 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.302 -8.520 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.101 -9.212 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.485 -8.328 -4.991 1.00 0.00 H new ATOM 914 N GLY A 65 8.308 -9.411 -2.879 1.00 0.00 N ATOM 915 CA GLY A 65 9.455 -10.277 -2.672 1.00 0.00 C ATOM 916 C GLY A 65 10.610 -9.559 -2.002 1.00 0.00 C ATOM 917 O GLY A 65 11.765 -9.738 -2.386 1.00 0.00 O ATOM 0 H GLY A 65 8.389 -8.774 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.157 -11.129 -2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.785 -10.673 -3.632 1.00 0.00 H new ATOM 921 N GLU A 66 10.297 -8.744 -0.999 1.00 0.00 N ATOM 922 CA GLU A 66 11.319 -7.996 -0.277 1.00 0.00 C ATOM 923 C GLU A 66 10.932 -7.822 1.188 1.00 0.00 C ATOM 924 O GLU A 66 9.816 -8.152 1.589 1.00 0.00 O ATOM 925 CB GLU A 66 11.533 -6.626 -0.926 1.00 0.00 C ATOM 926 CG GLU A 66 12.153 -6.699 -2.311 1.00 0.00 C ATOM 927 CD GLU A 66 13.541 -7.309 -2.298 1.00 0.00 C ATOM 928 OE1 GLU A 66 14.441 -6.723 -1.660 1.00 0.00 O ATOM 929 OE2 GLU A 66 13.728 -8.372 -2.925 1.00 0.00 O ATOM 0 H GLU A 66 9.345 -8.585 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 66 12.249 -8.562 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.574 -6.111 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.174 -6.024 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.508 -7.288 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.205 -5.696 -2.735 1.00 0.00 H new ATOM 936 N GLN A 67 11.863 -7.302 1.982 1.00 0.00 N ATOM 937 CA GLN A 67 11.619 -7.085 3.404 1.00 0.00 C ATOM 938 C GLN A 67 10.780 -5.832 3.627 1.00 0.00 C ATOM 939 O GLN A 67 10.941 -4.831 2.927 1.00 0.00 O ATOM 940 CB GLN A 67 12.945 -6.967 4.157 1.00 0.00 C ATOM 941 CG GLN A 67 13.501 -8.303 4.624 1.00 0.00 C ATOM 942 CD GLN A 67 13.686 -9.288 3.487 1.00 0.00 C ATOM 943 OE1 GLN A 67 12.792 -10.079 3.184 1.00 0.00 O ATOM 944 NE2 GLN A 67 14.850 -9.245 2.849 1.00 0.00 N ATOM 0 H GLN A 67 12.792 -7.023 1.666 1.00 0.00 H new ATOM 0 HA GLN A 67 11.066 -7.942 3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.678 -6.484 3.511 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.806 -6.319 5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.459 -8.141 5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.828 -8.733 5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.563 -8.573 3.133 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.031 -9.884 2.075 1.00 0.00 H new ATOM 953 N HIS A 68 9.884 -5.892 4.607 1.00 0.00 N ATOM 954 CA HIS A 68 9.019 -4.761 4.924 1.00 0.00 C ATOM 955 C HIS A 68 9.774 -3.443 4.779 1.00 0.00 C ATOM 956 O HIS A 68 9.386 -2.579 3.993 1.00 0.00 O ATOM 957 CB HIS A 68 8.470 -4.894 6.344 1.00 0.00 C ATOM 958 CG HIS A 68 7.590 -3.754 6.755 1.00 0.00 C ATOM 959 ND1 HIS A 68 6.391 -3.928 7.414 1.00 0.00 N ATOM 960 CD2 HIS A 68 7.740 -2.418 6.598 1.00 0.00 C ATOM 961 CE1 HIS A 68 5.842 -2.749 7.643 1.00 0.00 C ATOM 962 NE2 HIS A 68 6.641 -1.815 7.158 1.00 0.00 N ATOM 0 H HIS A 68 9.738 -6.712 5.196 1.00 0.00 H new ATOM 0 HA HIS A 68 8.187 -4.763 4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.906 -5.824 6.421 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.304 -4.968 7.042 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.570 -1.919 6.121 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.900 -2.577 8.142 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.469 -0.810 7.194 1.00 0.00 H new ATOM 970 N GLU A 69 10.853 -3.297 5.542 1.00 0.00 N ATOM 971 CA GLU A 69 11.660 -2.083 5.498 1.00 0.00 C ATOM 972 C GLU A 69 11.769 -1.553 4.071 1.00 0.00 C ATOM 973 O GLU A 69 11.480 -0.386 3.806 1.00 0.00 O ATOM 974 CB GLU A 69 13.056 -2.352 6.062 1.00 0.00 C ATOM 975 CG GLU A 69 13.128 -2.268 7.578 1.00 0.00 C ATOM 976 CD GLU A 69 12.781 -3.581 8.252 1.00 0.00 C ATOM 977 OE1 GLU A 69 11.735 -4.168 7.906 1.00 0.00 O ATOM 978 OE2 GLU A 69 13.556 -4.021 9.126 1.00 0.00 O ATOM 0 H GLU A 69 11.188 -4.003 6.197 1.00 0.00 H new ATOM 0 HA GLU A 69 11.168 -1.328 6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.381 -3.343 5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.756 -1.635 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.133 -1.966 7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.446 -1.493 7.928 1.00 0.00 H new ATOM 985 N LYS A 70 12.189 -2.420 3.155 1.00 0.00 N ATOM 986 CA LYS A 70 12.337 -2.042 1.755 1.00 0.00 C ATOM 987 C LYS A 70 11.147 -1.210 1.287 1.00 0.00 C ATOM 988 O LYS A 70 11.315 -0.183 0.631 1.00 0.00 O ATOM 989 CB LYS A 70 12.475 -3.290 0.880 1.00 0.00 C ATOM 990 CG LYS A 70 12.663 -2.981 -0.595 1.00 0.00 C ATOM 991 CD LYS A 70 14.133 -2.851 -0.955 1.00 0.00 C ATOM 992 CE LYS A 70 14.617 -1.416 -0.813 1.00 0.00 C ATOM 993 NZ LYS A 70 16.005 -1.246 -1.325 1.00 0.00 N ATOM 0 H LYS A 70 12.433 -3.389 3.358 1.00 0.00 H new ATOM 0 HA LYS A 70 13.240 -1.438 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.324 -3.877 1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.586 -3.909 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.209 -3.771 -1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.144 -2.055 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.725 -3.501 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.289 -3.189 -1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.946 -0.751 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.578 -1.122 0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.298 -0.255 -1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.650 -1.862 -0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.037 -1.502 -2.332 1.00 0.00 H new ATOM 1007 N ALA A 71 9.945 -1.660 1.631 1.00 0.00 N ATOM 1008 CA ALA A 71 8.727 -0.955 1.249 1.00 0.00 C ATOM 1009 C ALA A 71 8.738 0.480 1.767 1.00 0.00 C ATOM 1010 O ALA A 71 8.515 1.425 1.010 1.00 0.00 O ATOM 1011 CB ALA A 71 7.504 -1.696 1.769 1.00 0.00 C ATOM 0 H ALA A 71 9.788 -2.509 2.173 1.00 0.00 H new ATOM 0 HA ALA A 71 8.682 -0.921 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.602 -1.159 1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.481 -2.701 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.552 -1.760 2.856 1.00 0.00 H new ATOM 1017 N VAL A 72 9.000 0.635 3.061 1.00 0.00 N ATOM 1018 CA VAL A 72 9.040 1.955 3.679 1.00 0.00 C ATOM 1019 C VAL A 72 9.987 2.885 2.928 1.00 0.00 C ATOM 1020 O VAL A 72 9.651 4.035 2.650 1.00 0.00 O ATOM 1021 CB VAL A 72 9.482 1.872 5.152 1.00 0.00 C ATOM 1022 CG1 VAL A 72 9.666 3.265 5.734 1.00 0.00 C ATOM 1023 CG2 VAL A 72 8.474 1.073 5.965 1.00 0.00 C ATOM 0 H VAL A 72 9.188 -0.137 3.701 1.00 0.00 H new ATOM 0 HA VAL A 72 8.028 2.357 3.633 1.00 0.00 H new ATOM 0 HB VAL A 72 10.442 1.357 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.978 3.186 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.428 3.799 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.724 3.810 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.801 1.024 7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.499 1.558 5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.398 0.064 5.560 1.00 0.00 H new ATOM 1033 N GLU A 73 11.172 2.377 2.603 1.00 0.00 N ATOM 1034 CA GLU A 73 12.168 3.163 1.884 1.00 0.00 C ATOM 1035 C GLU A 73 11.573 3.764 0.613 1.00 0.00 C ATOM 1036 O GLU A 73 11.686 4.966 0.369 1.00 0.00 O ATOM 1037 CB GLU A 73 13.378 2.296 1.533 1.00 0.00 C ATOM 1038 CG GLU A 73 14.135 1.787 2.748 1.00 0.00 C ATOM 1039 CD GLU A 73 14.993 2.859 3.392 1.00 0.00 C ATOM 1040 OE1 GLU A 73 14.551 4.025 3.437 1.00 0.00 O ATOM 1041 OE2 GLU A 73 16.107 2.530 3.850 1.00 0.00 O ATOM 0 H GLU A 73 11.465 1.426 2.826 1.00 0.00 H new ATOM 0 HA GLU A 73 12.490 3.977 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.044 1.444 0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 73 14.059 2.873 0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.424 1.407 3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.767 0.949 2.453 1.00 0.00 H new ATOM 1048 N LEU A 74 10.939 2.919 -0.193 1.00 0.00 N ATOM 1049 CA LEU A 74 10.327 3.365 -1.440 1.00 0.00 C ATOM 1050 C LEU A 74 9.394 4.547 -1.196 1.00 0.00 C ATOM 1051 O LEU A 74 9.601 5.636 -1.734 1.00 0.00 O ATOM 1052 CB LEU A 74 9.553 2.216 -2.090 1.00 0.00 C ATOM 1053 CG LEU A 74 10.320 0.905 -2.265 1.00 0.00 C ATOM 1054 CD1 LEU A 74 9.365 -0.231 -2.599 1.00 0.00 C ATOM 1055 CD2 LEU A 74 11.381 1.048 -3.347 1.00 0.00 C ATOM 0 H LEU A 74 10.835 1.922 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 74 11.123 3.686 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.665 2.017 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.208 2.545 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 74 10.818 0.669 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.928 -1.156 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.643 -0.349 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.838 -0.003 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.917 0.105 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.904 1.308 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.083 1.834 -3.067 1.00 0.00 H new ATOM 1067 N LEU A 75 8.370 4.327 -0.380 1.00 0.00 N ATOM 1068 CA LEU A 75 7.406 5.375 -0.062 1.00 0.00 C ATOM 1069 C LEU A 75 8.095 6.731 0.055 1.00 0.00 C ATOM 1070 O LEU A 75 7.684 7.705 -0.575 1.00 0.00 O ATOM 1071 CB LEU A 75 6.677 5.047 1.242 1.00 0.00 C ATOM 1072 CG LEU A 75 5.437 4.162 1.113 1.00 0.00 C ATOM 1073 CD1 LEU A 75 4.966 3.699 2.484 1.00 0.00 C ATOM 1074 CD2 LEU A 75 4.324 4.905 0.389 1.00 0.00 C ATOM 0 H LEU A 75 8.185 3.432 0.074 1.00 0.00 H new ATOM 0 HA LEU A 75 6.680 5.425 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.381 4.557 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.383 5.983 1.716 1.00 0.00 H new ATOM 0 HG LEU A 75 5.702 3.283 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.083 3.070 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.759 3.128 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.719 4.567 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.450 4.260 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.061 5.802 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.663 5.186 -0.608 1.00 0.00 H new ATOM 1086 N LYS A 76 9.148 6.786 0.864 1.00 0.00 N ATOM 1087 CA LYS A 76 9.897 8.021 1.062 1.00 0.00 C ATOM 1088 C LYS A 76 10.685 8.386 -0.192 1.00 0.00 C ATOM 1089 O LYS A 76 10.758 9.554 -0.573 1.00 0.00 O ATOM 1090 CB LYS A 76 10.849 7.879 2.252 1.00 0.00 C ATOM 1091 CG LYS A 76 10.138 7.739 3.587 1.00 0.00 C ATOM 1092 CD LYS A 76 10.949 6.907 4.566 1.00 0.00 C ATOM 1093 CE LYS A 76 12.008 7.745 5.266 1.00 0.00 C ATOM 1094 NZ LYS A 76 11.403 8.745 6.189 1.00 0.00 N ATOM 0 H LYS A 76 9.502 5.989 1.393 1.00 0.00 H new ATOM 0 HA LYS A 76 9.185 8.820 1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.485 7.008 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.504 8.749 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.958 8.727 4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.163 7.275 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.284 6.465 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.427 6.083 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.677 7.091 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.615 8.259 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.105 9.028 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.103 9.581 5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.578 8.325 6.663 1.00 0.00 H new ATOM 1108 N ALA A 77 11.273 7.379 -0.830 1.00 0.00 N ATOM 1109 CA ALA A 77 12.052 7.594 -2.043 1.00 0.00 C ATOM 1110 C ALA A 77 11.276 8.434 -3.052 1.00 0.00 C ATOM 1111 O ALA A 77 11.830 9.334 -3.681 1.00 0.00 O ATOM 1112 CB ALA A 77 12.450 6.261 -2.658 1.00 0.00 C ATOM 0 H ALA A 77 11.224 6.406 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 77 12.955 8.141 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.031 6.437 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.051 5.696 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.554 5.693 -2.907 1.00 0.00 H new ATOM 1118 N ALA A 78 9.990 8.131 -3.203 1.00 0.00 N ATOM 1119 CA ALA A 78 9.138 8.859 -4.135 1.00 0.00 C ATOM 1120 C ALA A 78 9.161 10.356 -3.845 1.00 0.00 C ATOM 1121 O ALA A 78 9.685 10.791 -2.820 1.00 0.00 O ATOM 1122 CB ALA A 78 7.714 8.329 -4.072 1.00 0.00 C ATOM 0 H ALA A 78 9.516 7.386 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 78 9.527 8.705 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.089 8.882 -4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.707 7.271 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.324 8.453 -3.062 1.00 0.00 H new ATOM 1128 N GLN A 79 8.590 11.139 -4.755 1.00 0.00 N ATOM 1129 CA GLN A 79 8.547 12.588 -4.597 1.00 0.00 C ATOM 1130 C GLN A 79 7.379 13.186 -5.374 1.00 0.00 C ATOM 1131 O GLN A 79 7.356 13.152 -6.603 1.00 0.00 O ATOM 1132 CB GLN A 79 9.861 13.213 -5.067 1.00 0.00 C ATOM 1133 CG GLN A 79 10.899 13.349 -3.965 1.00 0.00 C ATOM 1134 CD GLN A 79 11.881 14.475 -4.224 1.00 0.00 C ATOM 1135 OE1 GLN A 79 11.967 14.996 -5.336 1.00 0.00 O ATOM 1136 NE2 GLN A 79 12.627 14.858 -3.194 1.00 0.00 N ATOM 0 H GLN A 79 8.151 10.794 -5.609 1.00 0.00 H new ATOM 0 HA GLN A 79 8.406 12.808 -3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.275 12.605 -5.872 1.00 0.00 H new ATOM 0 HB3 GLN A 79 9.656 14.199 -5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.394 13.524 -3.015 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.445 12.411 -3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.522 14.398 -2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.304 15.612 -3.307 1.00 0.00 H new ATOM 1145 N GLY A 80 6.409 13.733 -4.647 1.00 0.00 N ATOM 1146 CA GLY A 80 5.251 14.331 -5.285 1.00 0.00 C ATOM 1147 C GLY A 80 4.070 13.382 -5.349 1.00 0.00 C ATOM 1148 O GLY A 80 2.935 13.774 -5.079 1.00 0.00 O ATOM 0 H GLY A 80 6.405 13.772 -3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.962 15.229 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.517 14.644 -6.295 1.00 0.00 H new ATOM 1152 N SER A 81 4.338 12.131 -5.709 1.00 0.00 N ATOM 1153 CA SER A 81 3.288 11.124 -5.813 1.00 0.00 C ATOM 1154 C SER A 81 3.869 9.718 -5.700 1.00 0.00 C ATOM 1155 O SER A 81 4.922 9.422 -6.266 1.00 0.00 O ATOM 1156 CB SER A 81 2.539 11.273 -7.139 1.00 0.00 C ATOM 1157 OG SER A 81 3.440 11.329 -8.230 1.00 0.00 O ATOM 0 H SER A 81 5.273 11.790 -5.934 1.00 0.00 H new ATOM 0 HA SER A 81 2.590 11.277 -4.990 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.856 10.434 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.932 12.178 -7.118 1.00 0.00 H new ATOM 0 HG SER A 81 2.937 11.423 -9.066 1.00 0.00 H new ATOM 1163 N VAL A 82 3.176 8.855 -4.964 1.00 0.00 N ATOM 1164 CA VAL A 82 3.622 7.480 -4.776 1.00 0.00 C ATOM 1165 C VAL A 82 2.650 6.495 -5.416 1.00 0.00 C ATOM 1166 O VAL A 82 1.433 6.674 -5.349 1.00 0.00 O ATOM 1167 CB VAL A 82 3.772 7.138 -3.282 1.00 0.00 C ATOM 1168 CG1 VAL A 82 5.048 7.747 -2.721 1.00 0.00 C ATOM 1169 CG2 VAL A 82 2.556 7.614 -2.502 1.00 0.00 C ATOM 0 H VAL A 82 2.303 9.084 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 82 4.595 7.394 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 82 3.839 6.055 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.137 7.495 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.908 7.352 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.014 8.831 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.679 7.364 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.455 8.694 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.662 7.126 -2.889 1.00 0.00 H new ATOM 1179 N LYS A 83 3.194 5.454 -6.037 1.00 0.00 N ATOM 1180 CA LYS A 83 2.376 4.438 -6.688 1.00 0.00 C ATOM 1181 C LYS A 83 2.273 3.186 -5.824 1.00 0.00 C ATOM 1182 O LYS A 83 3.260 2.477 -5.619 1.00 0.00 O ATOM 1183 CB LYS A 83 2.964 4.080 -8.055 1.00 0.00 C ATOM 1184 CG LYS A 83 1.925 3.616 -9.062 1.00 0.00 C ATOM 1185 CD LYS A 83 2.431 3.754 -10.488 1.00 0.00 C ATOM 1186 CE LYS A 83 1.300 3.617 -11.496 1.00 0.00 C ATOM 1187 NZ LYS A 83 0.422 4.819 -11.511 1.00 0.00 N ATOM 0 H LYS A 83 4.199 5.292 -6.103 1.00 0.00 H new ATOM 0 HA LYS A 83 1.375 4.847 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.484 4.950 -8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.709 3.295 -7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.666 2.576 -8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.013 4.200 -8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.915 4.723 -10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.187 2.993 -10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.717 3.460 -12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.705 2.736 -11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.206 4.780 -12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.150 4.842 -10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.008 5.677 -11.562 1.00 0.00 H new ATOM 1201 N LEU A 84 1.073 2.917 -5.320 1.00 0.00 N ATOM 1202 CA LEU A 84 0.841 1.749 -4.478 1.00 0.00 C ATOM 1203 C LEU A 84 -0.018 0.718 -5.203 1.00 0.00 C ATOM 1204 O LEU A 84 -1.228 0.893 -5.347 1.00 0.00 O ATOM 1205 CB LEU A 84 0.165 2.164 -3.170 1.00 0.00 C ATOM 1206 CG LEU A 84 0.843 3.292 -2.393 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -0.026 3.734 -1.225 1.00 0.00 C ATOM 1208 CD2 LEU A 84 2.215 2.852 -1.902 1.00 0.00 C ATOM 0 H LEU A 84 0.246 3.492 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 84 1.807 1.297 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.858 2.467 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.104 1.289 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 84 0.974 4.141 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.473 4.538 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.986 4.090 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.189 2.891 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.683 3.668 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.107 1.987 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.839 2.586 -2.755 1.00 0.00 H new ATOM 1220 N VAL A 85 0.616 -0.360 -5.656 1.00 0.00 N ATOM 1221 CA VAL A 85 -0.091 -1.421 -6.363 1.00 0.00 C ATOM 1222 C VAL A 85 -0.631 -2.464 -5.391 1.00 0.00 C ATOM 1223 O VAL A 85 -0.003 -2.767 -4.377 1.00 0.00 O ATOM 1224 CB VAL A 85 0.823 -2.117 -7.389 1.00 0.00 C ATOM 1225 CG1 VAL A 85 0.049 -3.172 -8.165 1.00 0.00 C ATOM 1226 CG2 VAL A 85 1.440 -1.095 -8.332 1.00 0.00 C ATOM 0 H VAL A 85 1.617 -0.521 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.923 -0.952 -6.888 1.00 0.00 H new ATOM 0 HB VAL A 85 1.630 -2.615 -6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.711 -3.653 -8.885 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.340 -3.920 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.780 -2.700 -8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.083 -1.604 -9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.649 -0.567 -8.864 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.031 -0.381 -7.758 1.00 0.00 H new ATOM 1236 N VAL A 86 -1.802 -3.009 -5.708 1.00 0.00 N ATOM 1237 CA VAL A 86 -2.427 -4.020 -4.863 1.00 0.00 C ATOM 1238 C VAL A 86 -3.278 -4.977 -5.690 1.00 0.00 C ATOM 1239 O VAL A 86 -3.623 -4.686 -6.836 1.00 0.00 O ATOM 1240 CB VAL A 86 -3.308 -3.376 -3.776 1.00 0.00 C ATOM 1241 CG1 VAL A 86 -2.461 -2.541 -2.827 1.00 0.00 C ATOM 1242 CG2 VAL A 86 -4.403 -2.531 -4.410 1.00 0.00 C ATOM 0 H VAL A 86 -2.336 -2.768 -6.543 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.621 -4.576 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.781 -4.170 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.101 -2.094 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.717 -3.177 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.958 -1.753 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.016 -2.083 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.951 -1.743 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.027 -3.160 -5.044 1.00 0.00 H new ATOM 1252 N ARG A 87 -3.614 -6.121 -5.102 1.00 0.00 N ATOM 1253 CA ARG A 87 -4.424 -7.122 -5.784 1.00 0.00 C ATOM 1254 C ARG A 87 -5.844 -7.144 -5.227 1.00 0.00 C ATOM 1255 O ARG A 87 -6.054 -6.972 -4.027 1.00 0.00 O ATOM 1256 CB ARG A 87 -3.788 -8.506 -5.644 1.00 0.00 C ATOM 1257 CG ARG A 87 -4.081 -9.433 -6.812 1.00 0.00 C ATOM 1258 CD ARG A 87 -3.205 -10.675 -6.771 1.00 0.00 C ATOM 1259 NE ARG A 87 -3.863 -11.829 -7.379 1.00 0.00 N ATOM 1260 CZ ARG A 87 -4.748 -12.589 -6.744 1.00 0.00 C ATOM 1261 NH1 ARG A 87 -5.080 -12.319 -5.489 1.00 0.00 N ATOM 1262 NH2 ARG A 87 -5.303 -13.622 -7.364 1.00 0.00 N ATOM 0 H ARG A 87 -3.337 -6.377 -4.154 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.471 -6.857 -6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.709 -8.392 -5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.146 -8.970 -4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.131 -9.726 -6.791 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.917 -8.902 -7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.269 -10.476 -7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.951 -10.906 -5.736 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.630 -12.064 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.655 -11.526 -5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.760 -12.905 -5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.050 -13.833 -8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.983 -14.205 -6.875 1.00 0.00 H new