USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 586 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 40 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 43 MET CE :methyl -179:sc= -2.7 (180deg=-2.7) USER MOD Set 2.1: A 27 SER OG : rot 52:sc= 0.199 USER MOD Set 2.2: A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.12) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= -0.278 (180deg=-0.28) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.102 (180deg=-0.467) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 37 THR OG1 : rot 170:sc= -1.18 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -137:sc= -0.0012 (180deg=-0.135) USER MOD Single : A 47 SER OG : rot 88:sc= 0.159 USER MOD Single : A 50 GLN : amide:sc= -0.384 K(o=-0.38,f=-1.2) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.4!) USER MOD Single : A 64 GLN : amide:sc= -0.0701 X(o=-0.07,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.5!) USER MOD Single : A 69 THR OG1 : rot -43:sc= 1.09 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.711 USER MOD Single : A 74 GLN : amide:sc= 0.187 K(o=0.19,f=-3.9!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0513 USER MOD Single : A 87 GLN : amide:sc= -0.249 K(o=-0.25,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 17 N ASP A 15 -18.442 -1.351 2.582 1.00 0.00 N ATOM 18 CA ASP A 15 -17.634 -2.435 2.025 1.00 0.00 C ATOM 19 C ASP A 15 -16.141 -2.176 2.244 1.00 0.00 C ATOM 20 O ASP A 15 -15.758 -1.152 2.816 1.00 0.00 O ATOM 21 CB ASP A 15 -17.930 -2.595 0.531 1.00 0.00 C ATOM 22 CG ASP A 15 -17.986 -4.049 0.106 1.00 0.00 C ATOM 23 OD1 ASP A 15 -19.018 -4.704 0.363 1.00 0.00 O ATOM 24 OD2 ASP A 15 -16.994 -4.535 -0.476 1.00 0.00 O ATOM 0 HA ASP A 15 -17.897 -3.358 2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.880 -2.114 0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -17.162 -2.080 -0.046 1.00 0.00 H new ATOM 29 N HIS A 16 -15.302 -3.111 1.790 1.00 0.00 N ATOM 30 CA HIS A 16 -13.853 -2.984 1.941 1.00 0.00 C ATOM 31 C HIS A 16 -13.117 -3.682 0.798 1.00 0.00 C ATOM 32 O HIS A 16 -13.589 -4.690 0.268 1.00 0.00 O ATOM 33 CB HIS A 16 -13.406 -3.579 3.280 1.00 0.00 C ATOM 34 CG HIS A 16 -13.346 -2.582 4.395 1.00 0.00 C ATOM 35 ND1 HIS A 16 -14.411 -2.320 5.232 1.00 0.00 N ATOM 36 CD2 HIS A 16 -12.335 -1.786 4.816 1.00 0.00 C ATOM 37 CE1 HIS A 16 -14.058 -1.407 6.119 1.00 0.00 C ATOM 38 NE2 HIS A 16 -12.804 -1.066 5.887 1.00 0.00 N ATOM 0 H HIS A 16 -15.602 -3.963 1.316 1.00 0.00 H new ATOM 0 HA HIS A 16 -13.605 -1.923 1.915 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.091 -4.380 3.558 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.422 -4.031 3.156 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.345 -1.728 4.389 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.688 -1.008 6.900 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.269 -0.378 6.418 1.00 0.00 H new ATOM 47 N ILE A 17 -11.953 -3.144 0.427 1.00 0.00 N ATOM 48 CA ILE A 17 -11.150 -3.721 -0.650 1.00 0.00 C ATOM 49 C ILE A 17 -10.025 -4.594 -0.090 1.00 0.00 C ATOM 50 O ILE A 17 -9.212 -4.139 0.717 1.00 0.00 O ATOM 51 CB ILE A 17 -10.549 -2.632 -1.575 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.498 -1.794 -0.836 1.00 0.00 C ATOM 53 CG2 ILE A 17 -11.652 -1.737 -2.123 1.00 0.00 C ATOM 54 CD1 ILE A 17 -8.962 -0.637 -1.651 1.00 0.00 C ATOM 0 H ILE A 17 -11.548 -2.312 0.856 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.823 -4.339 -1.244 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.054 -3.132 -2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.936 -1.407 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.668 -2.439 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.216 -0.977 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.359 -2.339 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.173 -1.254 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.224 -0.090 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.494 -1.017 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.781 0.031 -1.917 1.00 0.00 H new ATOM 66 N ASN A 18 -9.991 -5.853 -0.520 1.00 0.00 N ATOM 67 CA ASN A 18 -8.970 -6.794 -0.062 1.00 0.00 C ATOM 68 C ASN A 18 -7.686 -6.645 -0.876 1.00 0.00 C ATOM 69 O ASN A 18 -7.597 -7.124 -2.008 1.00 0.00 O ATOM 70 CB ASN A 18 -9.489 -8.232 -0.155 1.00 0.00 C ATOM 71 CG ASN A 18 -10.162 -8.688 1.125 1.00 0.00 C ATOM 72 OD1 ASN A 18 -9.505 -8.900 2.143 1.00 0.00 O ATOM 73 ND2 ASN A 18 -11.482 -8.838 1.081 1.00 0.00 N ATOM 0 H ASN A 18 -10.658 -6.246 -1.184 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.744 -6.567 0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.196 -8.307 -0.981 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.659 -8.901 -0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.989 -9.140 1.913 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.988 -8.651 0.215 1.00 0.00 H new ATOM 80 N LEU A 19 -6.696 -5.973 -0.291 1.00 0.00 N ATOM 81 CA LEU A 19 -5.416 -5.754 -0.957 1.00 0.00 C ATOM 82 C LEU A 19 -4.308 -6.572 -0.301 1.00 0.00 C ATOM 83 O LEU A 19 -4.139 -6.540 0.920 1.00 0.00 O ATOM 84 CB LEU A 19 -5.053 -4.266 -0.929 1.00 0.00 C ATOM 85 CG LEU A 19 -5.462 -3.472 -2.172 1.00 0.00 C ATOM 86 CD1 LEU A 19 -6.963 -3.583 -2.413 1.00 0.00 C ATOM 87 CD2 LEU A 19 -5.045 -2.015 -2.030 1.00 0.00 C ATOM 0 H LEU A 19 -6.757 -5.571 0.644 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.515 -6.080 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.521 -3.811 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.975 -4.174 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.949 -3.895 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.232 -3.011 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.232 -4.629 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.500 -3.188 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.342 -1.463 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.530 -1.581 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.963 -1.956 -1.911 1.00 0.00 H new ATOM 99 N LYS A 20 -3.551 -7.299 -1.121 1.00 0.00 N ATOM 100 CA LYS A 20 -2.453 -8.124 -0.626 1.00 0.00 C ATOM 101 C LYS A 20 -1.125 -7.378 -0.749 1.00 0.00 C ATOM 102 O LYS A 20 -0.476 -7.417 -1.798 1.00 0.00 O ATOM 103 CB LYS A 20 -2.390 -9.447 -1.398 1.00 0.00 C ATOM 104 CG LYS A 20 -3.638 -10.306 -1.247 1.00 0.00 C ATOM 105 CD LYS A 20 -4.357 -10.490 -2.576 1.00 0.00 C ATOM 106 CE LYS A 20 -5.567 -11.402 -2.435 1.00 0.00 C ATOM 107 NZ LYS A 20 -6.566 -11.184 -3.519 1.00 0.00 N ATOM 0 H LYS A 20 -3.679 -7.333 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.633 -8.341 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.233 -9.233 -2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.525 -10.016 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.363 -11.281 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.314 -9.843 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.674 -9.519 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.668 -10.909 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.240 -12.442 -2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.039 -11.229 -1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.416 -11.752 -3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.823 -10.177 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.157 -11.471 -4.431 1.00 0.00 H new ATOM 121 N VAL A 21 -0.730 -6.696 0.326 1.00 0.00 N ATOM 122 CA VAL A 21 0.520 -5.935 0.338 1.00 0.00 C ATOM 123 C VAL A 21 1.713 -6.840 0.644 1.00 0.00 C ATOM 124 O VAL A 21 1.751 -7.503 1.683 1.00 0.00 O ATOM 125 CB VAL A 21 0.479 -4.787 1.372 1.00 0.00 C ATOM 126 CG1 VAL A 21 1.683 -3.870 1.206 1.00 0.00 C ATOM 127 CG2 VAL A 21 -0.817 -3.995 1.254 1.00 0.00 C ATOM 0 H VAL A 21 -1.256 -6.655 1.199 1.00 0.00 H new ATOM 0 HA VAL A 21 0.636 -5.508 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 21 0.518 -5.229 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.635 -3.069 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.599 -4.442 1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.678 -3.441 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.822 -3.193 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.893 -3.568 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.665 -4.656 1.431 1.00 0.00 H new ATOM 137 N ALA A 22 2.683 -6.862 -0.271 1.00 0.00 N ATOM 138 CA ALA A 22 3.879 -7.683 -0.110 1.00 0.00 C ATOM 139 C ALA A 22 5.103 -6.824 0.201 1.00 0.00 C ATOM 140 O ALA A 22 5.501 -5.979 -0.604 1.00 0.00 O ATOM 141 CB ALA A 22 4.118 -8.512 -1.364 1.00 0.00 C ATOM 0 H ALA A 22 2.661 -6.318 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 22 3.718 -8.354 0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.013 -9.121 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.260 -9.161 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.252 -7.849 -2.218 1.00 0.00 H new ATOM 147 N GLY A 23 5.694 -7.048 1.373 1.00 0.00 N ATOM 148 CA GLY A 23 6.867 -6.293 1.779 1.00 0.00 C ATOM 149 C GLY A 23 8.163 -6.946 1.336 1.00 0.00 C ATOM 150 O GLY A 23 8.313 -8.166 1.430 1.00 0.00 O ATOM 0 H GLY A 23 5.379 -7.742 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.810 -5.288 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.870 -6.188 2.864 1.00 0.00 H new ATOM 154 N GLN A 24 9.102 -6.130 0.858 1.00 0.00 N ATOM 155 CA GLN A 24 10.403 -6.623 0.399 1.00 0.00 C ATOM 156 C GLN A 24 11.122 -7.404 1.500 1.00 0.00 C ATOM 157 O GLN A 24 11.695 -8.463 1.244 1.00 0.00 O ATOM 158 CB GLN A 24 11.278 -5.453 -0.060 1.00 0.00 C ATOM 159 CG GLN A 24 12.596 -5.879 -0.691 1.00 0.00 C ATOM 160 CD GLN A 24 13.751 -4.983 -0.282 1.00 0.00 C ATOM 161 OE1 GLN A 24 14.378 -5.197 0.755 1.00 0.00 O ATOM 162 NE2 GLN A 24 14.036 -3.972 -1.095 1.00 0.00 N ATOM 0 H GLN A 24 8.986 -5.120 0.778 1.00 0.00 H new ATOM 0 HA GLN A 24 10.228 -7.297 -0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.719 -4.854 -0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.487 -4.811 0.796 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.818 -6.907 -0.403 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.497 -5.866 -1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.490 -3.832 -1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.801 -3.336 -0.869 1.00 0.00 H new ATOM 171 N ASP A 25 11.090 -6.872 2.722 1.00 0.00 N ATOM 172 CA ASP A 25 11.741 -7.520 3.861 1.00 0.00 C ATOM 173 C ASP A 25 11.173 -8.920 4.111 1.00 0.00 C ATOM 174 O ASP A 25 11.869 -9.794 4.633 1.00 0.00 O ATOM 175 CB ASP A 25 11.586 -6.662 5.123 1.00 0.00 C ATOM 176 CG ASP A 25 12.860 -6.596 5.944 1.00 0.00 C ATOM 177 OD1 ASP A 25 13.921 -6.259 5.373 1.00 0.00 O ATOM 178 OD2 ASP A 25 12.798 -6.877 7.159 1.00 0.00 O ATOM 0 H ASP A 25 10.621 -5.995 2.949 1.00 0.00 H new ATOM 0 HA ASP A 25 12.799 -7.622 3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.290 -5.653 4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.783 -7.068 5.738 1.00 0.00 H new ATOM 183 N GLY A 26 9.907 -9.125 3.738 1.00 0.00 N ATOM 184 CA GLY A 26 9.266 -10.415 3.932 1.00 0.00 C ATOM 185 C GLY A 26 8.018 -10.314 4.789 1.00 0.00 C ATOM 186 O GLY A 26 7.894 -11.010 5.797 1.00 0.00 O ATOM 0 H GLY A 26 9.315 -8.417 3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.005 -10.838 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.971 -11.102 4.400 1.00 0.00 H new ATOM 190 N SER A 27 7.094 -9.440 4.391 1.00 0.00 N ATOM 191 CA SER A 27 5.851 -9.244 5.133 1.00 0.00 C ATOM 192 C SER A 27 4.650 -9.198 4.190 1.00 0.00 C ATOM 193 O SER A 27 4.417 -8.195 3.513 1.00 0.00 O ATOM 194 CB SER A 27 5.925 -7.957 5.963 1.00 0.00 C ATOM 195 OG SER A 27 6.250 -6.837 5.155 1.00 0.00 O ATOM 0 H SER A 27 7.184 -8.857 3.559 1.00 0.00 H new ATOM 0 HA SER A 27 5.721 -10.092 5.806 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.969 -7.786 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.673 -8.071 6.747 1.00 0.00 H new ATOM 0 HG SER A 27 5.642 -6.800 4.387 1.00 0.00 H new ATOM 201 N VAL A 28 3.893 -10.292 4.150 1.00 0.00 N ATOM 202 CA VAL A 28 2.716 -10.381 3.292 1.00 0.00 C ATOM 203 C VAL A 28 1.434 -10.376 4.123 1.00 0.00 C ATOM 204 O VAL A 28 1.001 -11.417 4.624 1.00 0.00 O ATOM 205 CB VAL A 28 2.753 -11.648 2.408 1.00 0.00 C ATOM 206 CG1 VAL A 28 1.627 -11.618 1.385 1.00 0.00 C ATOM 207 CG2 VAL A 28 4.105 -11.783 1.718 1.00 0.00 C ATOM 0 H VAL A 28 4.075 -11.130 4.703 1.00 0.00 H new ATOM 0 HA VAL A 28 2.726 -9.505 2.643 1.00 0.00 H new ATOM 0 HB VAL A 28 2.610 -12.518 3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.669 -12.518 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.668 -11.575 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.737 -10.740 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.110 -12.681 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.282 -10.910 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.891 -11.855 2.469 1.00 0.00 H new ATOM 217 N VAL A 29 0.836 -9.193 4.270 1.00 0.00 N ATOM 218 CA VAL A 29 -0.394 -9.041 5.043 1.00 0.00 C ATOM 219 C VAL A 29 -1.540 -8.541 4.165 1.00 0.00 C ATOM 220 O VAL A 29 -1.358 -7.639 3.343 1.00 0.00 O ATOM 221 CB VAL A 29 -0.203 -8.062 6.224 1.00 0.00 C ATOM 222 CG1 VAL A 29 -1.420 -8.079 7.140 1.00 0.00 C ATOM 223 CG2 VAL A 29 1.061 -8.397 7.005 1.00 0.00 C ATOM 0 H VAL A 29 1.185 -8.326 3.863 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.642 -10.028 5.435 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.095 -7.057 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.265 -7.383 7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.304 -7.782 6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.563 -9.084 7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.175 -7.695 7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.988 -9.411 7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.926 -8.325 6.346 1.00 0.00 H new ATOM 233 N GLN A 30 -2.723 -9.130 4.347 1.00 0.00 N ATOM 234 CA GLN A 30 -3.903 -8.745 3.577 1.00 0.00 C ATOM 235 C GLN A 30 -4.731 -7.703 4.331 1.00 0.00 C ATOM 236 O GLN A 30 -5.660 -8.046 5.065 1.00 0.00 O ATOM 237 CB GLN A 30 -4.759 -9.977 3.268 1.00 0.00 C ATOM 238 CG GLN A 30 -5.718 -9.778 2.103 1.00 0.00 C ATOM 239 CD GLN A 30 -6.487 -11.040 1.751 1.00 0.00 C ATOM 240 OE1 GLN A 30 -6.472 -12.021 2.496 1.00 0.00 O ATOM 241 NE2 GLN A 30 -7.165 -11.024 0.609 1.00 0.00 N ATOM 0 H GLN A 30 -2.888 -9.876 5.022 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.568 -8.302 2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.103 -10.819 3.047 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.331 -10.243 4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.424 -8.985 2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.157 -9.444 1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.152 -10.192 0.020 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.699 -11.844 0.321 1.00 0.00 H new ATOM 250 N PHE A 31 -4.387 -6.430 4.143 1.00 0.00 N ATOM 251 CA PHE A 31 -5.096 -5.337 4.803 1.00 0.00 C ATOM 252 C PHE A 31 -6.243 -4.825 3.931 1.00 0.00 C ATOM 253 O PHE A 31 -6.120 -4.750 2.707 1.00 0.00 O ATOM 254 CB PHE A 31 -4.129 -4.193 5.129 1.00 0.00 C ATOM 255 CG PHE A 31 -3.972 -3.939 6.604 1.00 0.00 C ATOM 256 CD1 PHE A 31 -5.061 -3.569 7.379 1.00 0.00 C ATOM 257 CD2 PHE A 31 -2.735 -4.070 7.216 1.00 0.00 C ATOM 258 CE1 PHE A 31 -4.919 -3.335 8.733 1.00 0.00 C ATOM 259 CE2 PHE A 31 -2.587 -3.837 8.571 1.00 0.00 C ATOM 260 CZ PHE A 31 -3.680 -3.469 9.330 1.00 0.00 C ATOM 0 H PHE A 31 -3.622 -6.131 3.539 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.517 -5.719 5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.152 -4.421 4.702 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.482 -3.281 4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.032 -3.463 6.918 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.876 -4.358 6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.776 -3.048 9.325 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.618 -3.943 9.035 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.567 -3.286 10.388 1.00 0.00 H new ATOM 270 N LYS A 32 -7.357 -4.475 4.575 1.00 0.00 N ATOM 271 CA LYS A 32 -8.533 -3.970 3.866 1.00 0.00 C ATOM 272 C LYS A 32 -8.817 -2.513 4.233 1.00 0.00 C ATOM 273 O LYS A 32 -8.714 -2.126 5.399 1.00 0.00 O ATOM 274 CB LYS A 32 -9.759 -4.836 4.176 1.00 0.00 C ATOM 275 CG LYS A 32 -9.975 -5.094 5.662 1.00 0.00 C ATOM 276 CD LYS A 32 -11.439 -5.360 5.980 1.00 0.00 C ATOM 277 CE LYS A 32 -11.897 -4.581 7.205 1.00 0.00 C ATOM 278 NZ LYS A 32 -12.763 -5.403 8.097 1.00 0.00 N ATOM 0 H LYS A 32 -7.470 -4.532 5.587 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.323 -4.019 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.646 -4.351 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.655 -5.792 3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.374 -5.948 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.629 -4.234 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.054 -5.085 5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.587 -6.426 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.026 -4.237 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.443 -3.693 6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.053 -4.835 8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.607 -5.711 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.234 -6.237 8.422 1.00 0.00 H new ATOM 292 N ILE A 33 -9.176 -1.712 3.227 1.00 0.00 N ATOM 293 CA ILE A 33 -9.478 -0.293 3.435 1.00 0.00 C ATOM 294 C ILE A 33 -10.611 0.180 2.517 1.00 0.00 C ATOM 295 O ILE A 33 -11.155 -0.602 1.734 1.00 0.00 O ATOM 296 CB ILE A 33 -8.231 0.594 3.208 1.00 0.00 C ATOM 297 CG1 ILE A 33 -7.611 0.321 1.833 1.00 0.00 C ATOM 298 CG2 ILE A 33 -7.209 0.360 4.311 1.00 0.00 C ATOM 299 CD1 ILE A 33 -7.856 1.425 0.827 1.00 0.00 C ATOM 0 H ILE A 33 -9.265 -2.022 2.259 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.797 -0.192 4.472 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.542 1.638 3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.537 0.180 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.015 -0.612 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.337 0.991 4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.651 0.609 5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.906 -0.687 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.388 1.163 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.929 1.552 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.428 2.356 1.197 1.00 0.00 H new ATOM 311 N LYS A 34 -10.961 1.464 2.624 1.00 0.00 N ATOM 312 CA LYS A 34 -12.030 2.046 1.808 1.00 0.00 C ATOM 313 C LYS A 34 -11.509 2.475 0.436 1.00 0.00 C ATOM 314 O LYS A 34 -10.351 2.873 0.301 1.00 0.00 O ATOM 315 CB LYS A 34 -12.662 3.247 2.524 1.00 0.00 C ATOM 316 CG LYS A 34 -11.651 4.273 3.021 1.00 0.00 C ATOM 317 CD LYS A 34 -12.278 5.653 3.167 1.00 0.00 C ATOM 318 CE LYS A 34 -12.766 5.904 4.587 1.00 0.00 C ATOM 319 NZ LYS A 34 -13.741 4.869 5.038 1.00 0.00 N ATOM 0 H LYS A 34 -10.520 2.121 3.268 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.789 1.278 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.358 3.738 1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.245 2.886 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.249 3.952 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.813 4.325 2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.548 6.415 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.113 5.748 2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.913 5.918 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.232 6.888 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.235 5.205 5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.434 4.693 4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.235 3.987 5.256 1.00 0.00 H new ATOM 333 N ARG A 35 -12.375 2.402 -0.579 1.00 0.00 N ATOM 334 CA ARG A 35 -11.996 2.789 -1.942 1.00 0.00 C ATOM 335 C ARG A 35 -12.291 4.271 -2.217 1.00 0.00 C ATOM 336 O ARG A 35 -12.528 4.660 -3.363 1.00 0.00 O ATOM 337 CB ARG A 35 -12.711 1.904 -2.977 1.00 0.00 C ATOM 338 CG ARG A 35 -14.233 1.973 -2.922 1.00 0.00 C ATOM 339 CD ARG A 35 -14.791 2.907 -3.987 1.00 0.00 C ATOM 340 NE ARG A 35 -16.146 2.535 -4.398 1.00 0.00 N ATOM 341 CZ ARG A 35 -17.233 2.698 -3.637 1.00 0.00 C ATOM 342 NH1 ARG A 35 -17.127 3.185 -2.403 1.00 0.00 N ATOM 343 NH2 ARG A 35 -18.430 2.367 -4.110 1.00 0.00 N ATOM 0 H ARG A 35 -13.338 2.080 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.920 2.641 -2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.382 2.195 -3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.401 0.870 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.648 0.975 -3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.547 2.316 -1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.797 3.928 -3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.134 2.896 -4.857 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.269 2.125 -5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.211 3.437 -2.031 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.961 3.306 -1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.519 1.989 -5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.260 2.491 -3.530 1.00 0.00 H new ATOM 357 N HIS A 36 -12.260 5.099 -1.167 1.00 0.00 N ATOM 358 CA HIS A 36 -12.512 6.532 -1.312 1.00 0.00 C ATOM 359 C HIS A 36 -11.367 7.356 -0.708 1.00 0.00 C ATOM 360 O HIS A 36 -11.576 8.480 -0.246 1.00 0.00 O ATOM 361 CB HIS A 36 -13.844 6.907 -0.651 1.00 0.00 C ATOM 362 CG HIS A 36 -14.988 7.013 -1.615 1.00 0.00 C ATOM 363 ND1 HIS A 36 -16.049 6.132 -1.626 1.00 0.00 N ATOM 364 CD2 HIS A 36 -15.238 7.909 -2.602 1.00 0.00 C ATOM 365 CE1 HIS A 36 -16.900 6.480 -2.575 1.00 0.00 C ATOM 366 NE2 HIS A 36 -16.432 7.554 -3.182 1.00 0.00 N ATOM 0 H HIS A 36 -12.063 4.800 -0.212 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.570 6.761 -2.376 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.086 6.161 0.106 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.727 7.859 -0.134 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.615 8.746 -2.880 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -17.822 5.971 -2.813 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.883 8.042 -3.956 1.00 0.00 H new ATOM 375 N THR A 37 -10.155 6.794 -0.723 1.00 0.00 N ATOM 376 CA THR A 37 -8.978 7.477 -0.185 1.00 0.00 C ATOM 377 C THR A 37 -7.711 7.012 -0.902 1.00 0.00 C ATOM 378 O THR A 37 -7.645 5.881 -1.383 1.00 0.00 O ATOM 379 CB THR A 37 -8.842 7.225 1.323 1.00 0.00 C ATOM 380 OG1 THR A 37 -9.488 6.022 1.702 1.00 0.00 O ATOM 381 CG2 THR A 37 -9.418 8.343 2.165 1.00 0.00 C ATOM 0 H THR A 37 -9.964 5.867 -1.103 1.00 0.00 H new ATOM 0 HA THR A 37 -9.108 8.546 -0.352 1.00 0.00 H new ATOM 0 HB THR A 37 -7.769 7.162 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.252 5.802 2.627 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.291 8.105 3.221 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.899 9.274 1.938 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.479 8.456 1.943 1.00 0.00 H new ATOM 389 N PRO A 38 -6.681 7.879 -0.979 1.00 0.00 N ATOM 390 CA PRO A 38 -5.412 7.543 -1.640 1.00 0.00 C ATOM 391 C PRO A 38 -4.635 6.468 -0.886 1.00 0.00 C ATOM 392 O PRO A 38 -4.821 6.290 0.320 1.00 0.00 O ATOM 393 CB PRO A 38 -4.639 8.867 -1.628 1.00 0.00 C ATOM 394 CG PRO A 38 -5.221 9.641 -0.496 1.00 0.00 C ATOM 395 CD PRO A 38 -6.671 9.248 -0.427 1.00 0.00 C ATOM 0 HA PRO A 38 -5.569 7.136 -2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.571 8.700 -1.485 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.754 9.400 -2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.709 9.410 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.115 10.713 -0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.045 9.271 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.298 9.921 -1.011 1.00 0.00 H new ATOM 403 N LEU A 39 -3.754 5.759 -1.596 1.00 0.00 N ATOM 404 CA LEU A 39 -2.943 4.710 -0.974 1.00 0.00 C ATOM 405 C LEU A 39 -2.110 5.268 0.180 1.00 0.00 C ATOM 406 O LEU A 39 -1.706 4.523 1.073 1.00 0.00 O ATOM 407 CB LEU A 39 -2.028 4.035 -1.998 1.00 0.00 C ATOM 408 CG LEU A 39 -2.585 2.743 -2.598 1.00 0.00 C ATOM 409 CD1 LEU A 39 -1.561 2.090 -3.514 1.00 0.00 C ATOM 410 CD2 LEU A 39 -3.007 1.780 -1.497 1.00 0.00 C ATOM 0 H LEU A 39 -3.585 5.890 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.631 3.963 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.828 4.739 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.072 3.816 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.464 2.994 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.978 1.173 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.309 2.774 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.662 1.855 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.401 0.867 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.145 1.538 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.778 2.245 -0.883 1.00 0.00 H new ATOM 422 N SER A 40 -1.867 6.583 0.160 1.00 0.00 N ATOM 423 CA SER A 40 -1.098 7.245 1.213 1.00 0.00 C ATOM 424 C SER A 40 -1.629 6.858 2.597 1.00 0.00 C ATOM 425 O SER A 40 -0.859 6.704 3.545 1.00 0.00 O ATOM 426 CB SER A 40 -1.164 8.764 1.039 1.00 0.00 C ATOM 427 OG SER A 40 -0.471 9.429 2.082 1.00 0.00 O ATOM 0 H SER A 40 -2.194 7.209 -0.576 1.00 0.00 H new ATOM 0 HA SER A 40 -0.061 6.920 1.134 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.733 9.042 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.205 9.087 1.027 1.00 0.00 H new ATOM 0 HG SER A 40 -0.527 10.398 1.946 1.00 0.00 H new ATOM 433 N LYS A 41 -2.950 6.695 2.702 1.00 0.00 N ATOM 434 CA LYS A 41 -3.579 6.313 3.964 1.00 0.00 C ATOM 435 C LYS A 41 -3.257 4.857 4.305 1.00 0.00 C ATOM 436 O LYS A 41 -2.880 4.547 5.436 1.00 0.00 O ATOM 437 CB LYS A 41 -5.097 6.515 3.889 1.00 0.00 C ATOM 438 CG LYS A 41 -5.695 7.137 5.143 1.00 0.00 C ATOM 439 CD LYS A 41 -5.713 6.154 6.304 1.00 0.00 C ATOM 440 CE LYS A 41 -6.791 5.093 6.125 1.00 0.00 C ATOM 441 NZ LYS A 41 -7.946 5.303 7.045 1.00 0.00 N ATOM 0 H LYS A 41 -3.602 6.822 1.928 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.180 6.951 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.328 7.150 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.574 5.552 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.119 8.019 5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.711 7.472 4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.739 5.673 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.884 6.694 7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.143 5.106 5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.361 4.107 6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.655 4.558 6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.616 5.265 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.374 6.232 6.859 1.00 0.00 H new ATOM 455 N LEU A 42 -3.397 3.970 3.317 1.00 0.00 N ATOM 456 CA LEU A 42 -3.109 2.550 3.513 1.00 0.00 C ATOM 457 C LEU A 42 -1.636 2.341 3.865 1.00 0.00 C ATOM 458 O LEU A 42 -1.316 1.702 4.868 1.00 0.00 O ATOM 459 CB LEU A 42 -3.465 1.745 2.256 1.00 0.00 C ATOM 460 CG LEU A 42 -3.155 0.244 2.336 1.00 0.00 C ATOM 461 CD1 LEU A 42 -4.244 -0.570 1.651 1.00 0.00 C ATOM 462 CD2 LEU A 42 -1.795 -0.057 1.719 1.00 0.00 C ATOM 0 H LEU A 42 -3.707 4.211 2.376 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.722 2.195 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.528 1.870 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.926 2.167 1.408 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.126 -0.041 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.003 -1.631 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.200 -0.382 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.309 -0.280 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.594 -1.126 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.795 0.248 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.022 0.492 2.257 1.00 0.00 H new ATOM 474 N MET A 43 -0.747 2.892 3.035 1.00 0.00 N ATOM 475 CA MET A 43 0.693 2.773 3.259 1.00 0.00 C ATOM 476 C MET A 43 1.088 3.353 4.618 1.00 0.00 C ATOM 477 O MET A 43 1.986 2.836 5.281 1.00 0.00 O ATOM 478 CB MET A 43 1.478 3.469 2.139 1.00 0.00 C ATOM 479 CG MET A 43 1.310 4.980 2.104 1.00 0.00 C ATOM 480 SD MET A 43 2.643 5.847 2.956 1.00 0.00 S ATOM 481 CE MET A 43 2.122 7.550 2.762 1.00 0.00 C ATOM 0 H MET A 43 -1.000 3.424 2.203 1.00 0.00 H new ATOM 0 HA MET A 43 0.943 1.712 3.253 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.536 3.235 2.254 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.163 3.058 1.180 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.270 5.313 1.067 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.357 5.247 2.562 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.857 8.210 3.223 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.037 7.786 1.701 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.154 7.692 3.244 1.00 0.00 H new ATOM 491 N LYS A 44 0.408 4.427 5.029 1.00 0.00 N ATOM 492 CA LYS A 44 0.690 5.068 6.311 1.00 0.00 C ATOM 493 C LYS A 44 0.488 4.091 7.468 1.00 0.00 C ATOM 494 O LYS A 44 1.415 3.834 8.232 1.00 0.00 O ATOM 495 CB LYS A 44 -0.204 6.299 6.510 1.00 0.00 C ATOM 496 CG LYS A 44 0.523 7.619 6.314 1.00 0.00 C ATOM 497 CD LYS A 44 1.552 7.861 7.408 1.00 0.00 C ATOM 498 CE LYS A 44 0.892 8.131 8.755 1.00 0.00 C ATOM 499 NZ LYS A 44 0.962 6.951 9.666 1.00 0.00 N ATOM 0 H LYS A 44 -0.339 4.868 4.492 1.00 0.00 H new ATOM 0 HA LYS A 44 1.733 5.385 6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.039 6.247 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.626 6.272 7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.017 7.622 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.200 8.435 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.206 6.993 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.181 8.708 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.377 8.984 9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.151 8.405 8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.046 6.825 10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.185 6.099 9.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.704 7.106 10.378 1.00 0.00 H new ATOM 513 N ALA A 45 -0.726 3.555 7.591 1.00 0.00 N ATOM 514 CA ALA A 45 -1.045 2.607 8.661 1.00 0.00 C ATOM 515 C ALA A 45 -0.242 1.313 8.524 1.00 0.00 C ATOM 516 O ALA A 45 0.267 0.787 9.512 1.00 0.00 O ATOM 517 CB ALA A 45 -2.537 2.304 8.677 1.00 0.00 C ATOM 0 H ALA A 45 -1.504 3.760 6.965 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.768 3.072 9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.756 1.598 9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.094 3.226 8.843 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.831 1.871 7.721 1.00 0.00 H new ATOM 523 N TYR A 46 -0.136 0.805 7.295 1.00 0.00 N ATOM 524 CA TYR A 46 0.604 -0.430 7.029 1.00 0.00 C ATOM 525 C TYR A 46 2.074 -0.297 7.435 1.00 0.00 C ATOM 526 O TYR A 46 2.616 -1.167 8.117 1.00 0.00 O ATOM 527 CB TYR A 46 0.497 -0.795 5.543 1.00 0.00 C ATOM 528 CG TYR A 46 1.215 -2.074 5.159 1.00 0.00 C ATOM 529 CD1 TYR A 46 0.600 -3.312 5.304 1.00 0.00 C ATOM 530 CD2 TYR A 46 2.505 -2.040 4.640 1.00 0.00 C ATOM 531 CE1 TYR A 46 1.249 -4.478 4.944 1.00 0.00 C ATOM 532 CE2 TYR A 46 3.160 -3.202 4.280 1.00 0.00 C ATOM 533 CZ TYR A 46 2.528 -4.418 4.432 1.00 0.00 C ATOM 534 OH TYR A 46 3.175 -5.577 4.069 1.00 0.00 O ATOM 0 H TYR A 46 -0.554 1.230 6.467 1.00 0.00 H new ATOM 0 HA TYR A 46 0.162 -1.226 7.629 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.556 -0.891 5.280 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.900 0.026 4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.402 -3.364 5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.003 -1.090 4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.757 -5.432 5.063 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.163 -3.158 3.881 1.00 0.00 H new ATOM 0 HH TYR A 46 4.067 -5.360 3.726 1.00 0.00 H new ATOM 544 N SER A 47 2.712 0.796 7.012 1.00 0.00 N ATOM 545 CA SER A 47 4.118 1.041 7.333 1.00 0.00 C ATOM 546 C SER A 47 4.287 1.466 8.792 1.00 0.00 C ATOM 547 O SER A 47 5.281 1.123 9.434 1.00 0.00 O ATOM 548 CB SER A 47 4.699 2.115 6.406 1.00 0.00 C ATOM 549 OG SER A 47 4.706 1.677 5.056 1.00 0.00 O ATOM 0 H SER A 47 2.277 1.525 6.447 1.00 0.00 H new ATOM 0 HA SER A 47 4.661 0.108 7.183 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.112 3.030 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.715 2.358 6.718 1.00 0.00 H new ATOM 0 HG SER A 47 3.849 1.900 4.635 1.00 0.00 H new ATOM 555 N GLU A 48 3.311 2.214 9.309 1.00 0.00 N ATOM 556 CA GLU A 48 3.352 2.687 10.692 1.00 0.00 C ATOM 557 C GLU A 48 3.181 1.528 11.676 1.00 0.00 C ATOM 558 O GLU A 48 3.973 1.378 12.607 1.00 0.00 O ATOM 559 CB GLU A 48 2.270 3.746 10.925 1.00 0.00 C ATOM 560 CG GLU A 48 2.326 4.387 12.303 1.00 0.00 C ATOM 561 CD GLU A 48 1.012 4.271 13.051 1.00 0.00 C ATOM 562 OE1 GLU A 48 0.598 3.131 13.352 1.00 0.00 O ATOM 563 OE2 GLU A 48 0.396 5.320 13.331 1.00 0.00 O ATOM 0 H GLU A 48 2.483 2.505 8.790 1.00 0.00 H new ATOM 0 HA GLU A 48 4.329 3.137 10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.367 4.524 10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.291 3.288 10.787 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.116 3.916 12.888 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.590 5.439 12.200 1.00 0.00 H new ATOM 570 N ARG A 49 2.149 0.709 11.458 1.00 0.00 N ATOM 571 CA ARG A 49 1.879 -0.444 12.322 1.00 0.00 C ATOM 572 C ARG A 49 3.096 -1.368 12.400 1.00 0.00 C ATOM 573 O ARG A 49 3.379 -1.947 13.449 1.00 0.00 O ATOM 574 CB ARG A 49 0.668 -1.229 11.804 1.00 0.00 C ATOM 575 CG ARG A 49 -0.639 -0.877 12.497 1.00 0.00 C ATOM 576 CD ARG A 49 -1.673 -1.980 12.327 1.00 0.00 C ATOM 577 NE ARG A 49 -3.039 -1.486 12.502 1.00 0.00 N ATOM 578 CZ ARG A 49 -3.616 -1.277 13.690 1.00 0.00 C ATOM 579 NH1 ARG A 49 -2.945 -1.508 14.816 1.00 0.00 N ATOM 580 NH2 ARG A 49 -4.867 -0.833 13.749 1.00 0.00 N ATOM 0 H ARG A 49 1.487 0.823 10.691 1.00 0.00 H new ATOM 0 HA ARG A 49 1.662 -0.068 13.322 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.561 -1.048 10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.858 -2.295 11.929 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.456 -0.709 13.558 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.029 0.055 12.089 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.572 -2.421 11.335 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.479 -2.772 13.050 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.586 -1.288 11.664 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.984 -1.847 14.776 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.392 -1.346 15.718 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.385 -0.652 12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.309 -0.673 14.654 1.00 0.00 H new ATOM 594 N GLN A 50 3.809 -1.501 11.280 1.00 0.00 N ATOM 595 CA GLN A 50 4.994 -2.353 11.214 1.00 0.00 C ATOM 596 C GLN A 50 6.157 -1.755 12.003 1.00 0.00 C ATOM 597 O GLN A 50 6.721 -2.410 12.880 1.00 0.00 O ATOM 598 CB GLN A 50 5.420 -2.562 9.758 1.00 0.00 C ATOM 599 CG GLN A 50 4.866 -3.833 9.132 1.00 0.00 C ATOM 600 CD GLN A 50 5.953 -4.740 8.585 1.00 0.00 C ATOM 601 OE1 GLN A 50 7.026 -4.280 8.191 1.00 0.00 O ATOM 602 NE2 GLN A 50 5.680 -6.038 8.555 1.00 0.00 N ATOM 0 H GLN A 50 3.584 -1.027 10.405 1.00 0.00 H new ATOM 0 HA GLN A 50 4.732 -3.313 11.659 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.094 -1.706 9.168 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.509 -2.588 9.708 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.286 -4.377 9.877 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.181 -3.568 8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.779 -6.378 8.891 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.371 -6.696 8.196 1.00 0.00 H new ATOM 611 N GLY A 51 6.521 -0.515 11.674 1.00 0.00 N ATOM 612 CA GLY A 51 7.625 0.143 12.351 1.00 0.00 C ATOM 613 C GLY A 51 8.324 1.164 11.467 1.00 0.00 C ATOM 614 O GLY A 51 9.034 2.039 11.967 1.00 0.00 O ATOM 0 H GLY A 51 6.070 0.044 10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.254 0.638 13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.347 -0.607 12.676 1.00 0.00 H new ATOM 618 N LEU A 52 8.118 1.057 10.150 1.00 0.00 N ATOM 619 CA LEU A 52 8.723 1.978 9.196 1.00 0.00 C ATOM 620 C LEU A 52 8.233 3.410 9.433 1.00 0.00 C ATOM 621 O LEU A 52 7.451 3.669 10.351 1.00 0.00 O ATOM 622 CB LEU A 52 8.398 1.542 7.761 1.00 0.00 C ATOM 623 CG LEU A 52 9.346 0.498 7.160 1.00 0.00 C ATOM 624 CD1 LEU A 52 10.765 1.041 7.088 1.00 0.00 C ATOM 625 CD2 LEU A 52 9.306 -0.792 7.968 1.00 0.00 C ATOM 0 H LEU A 52 7.534 0.337 9.724 1.00 0.00 H new ATOM 0 HA LEU A 52 9.803 1.957 9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.385 1.141 7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.404 2.424 7.121 1.00 0.00 H new ATOM 0 HG LEU A 52 9.012 0.277 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.423 0.285 6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.782 1.934 6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.109 1.294 8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.986 -1.520 7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.611 -0.588 8.994 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.292 -1.193 7.964 1.00 0.00 H new ATOM 637 N SER A 53 8.701 4.335 8.601 1.00 0.00 N ATOM 638 CA SER A 53 8.321 5.742 8.717 1.00 0.00 C ATOM 639 C SER A 53 7.365 6.152 7.599 1.00 0.00 C ATOM 640 O SER A 53 7.097 5.378 6.678 1.00 0.00 O ATOM 641 CB SER A 53 9.567 6.632 8.691 1.00 0.00 C ATOM 642 OG SER A 53 10.027 6.902 10.004 1.00 0.00 O ATOM 0 H SER A 53 9.346 4.136 7.836 1.00 0.00 H new ATOM 0 HA SER A 53 7.807 5.872 9.669 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.356 6.143 8.119 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.339 7.569 8.182 1.00 0.00 H new ATOM 0 HG SER A 53 10.824 7.470 9.961 1.00 0.00 H new ATOM 648 N MET A 54 6.857 7.381 7.688 1.00 0.00 N ATOM 649 CA MET A 54 5.933 7.907 6.686 1.00 0.00 C ATOM 650 C MET A 54 6.627 8.907 5.755 1.00 0.00 C ATOM 651 O MET A 54 5.978 9.791 5.192 1.00 0.00 O ATOM 652 CB MET A 54 4.730 8.571 7.370 1.00 0.00 C ATOM 653 CG MET A 54 5.101 9.723 8.293 1.00 0.00 C ATOM 654 SD MET A 54 3.693 10.332 9.242 1.00 0.00 S ATOM 655 CE MET A 54 4.519 11.043 10.663 1.00 0.00 C ATOM 0 H MET A 54 7.071 8.031 8.445 1.00 0.00 H new ATOM 0 HA MET A 54 5.585 7.070 6.081 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.047 8.938 6.604 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.190 7.818 7.944 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.883 9.397 8.979 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.516 10.539 7.701 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.777 11.461 11.343 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.088 10.269 11.178 1.00 0.00 H new ATOM 0 HE3 MET A 54 5.195 11.832 10.334 1.00 0.00 H new ATOM 665 N ARG A 55 7.946 8.767 5.593 1.00 0.00 N ATOM 666 CA ARG A 55 8.710 9.667 4.728 1.00 0.00 C ATOM 667 C ARG A 55 9.756 8.915 3.891 1.00 0.00 C ATOM 668 O ARG A 55 10.634 9.539 3.289 1.00 0.00 O ATOM 669 CB ARG A 55 9.398 10.742 5.574 1.00 0.00 C ATOM 670 CG ARG A 55 9.440 12.112 4.912 1.00 0.00 C ATOM 671 CD ARG A 55 10.863 12.642 4.812 1.00 0.00 C ATOM 672 NE ARG A 55 11.521 12.221 3.575 1.00 0.00 N ATOM 673 CZ ARG A 55 12.606 12.810 3.065 1.00 0.00 C ATOM 674 NH1 ARG A 55 13.180 13.833 3.692 1.00 0.00 N ATOM 675 NH2 ARG A 55 13.124 12.367 1.923 1.00 0.00 N ATOM 0 H ARG A 55 8.503 8.043 6.047 1.00 0.00 H new ATOM 0 HA ARG A 55 8.007 10.132 4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.880 10.826 6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.417 10.423 5.792 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.004 12.049 3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.830 12.812 5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.848 13.731 4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.441 12.291 5.667 1.00 0.00 H new ATOM 0 HE ARG A 55 11.126 11.428 3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.792 14.175 4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.008 14.275 3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.693 11.579 1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.952 12.815 1.531 1.00 0.00 H new ATOM 689 N GLN A 56 9.656 7.583 3.839 1.00 0.00 N ATOM 690 CA GLN A 56 10.588 6.777 3.063 1.00 0.00 C ATOM 691 C GLN A 56 9.990 5.399 2.785 1.00 0.00 C ATOM 692 O GLN A 56 10.344 4.408 3.426 1.00 0.00 O ATOM 693 CB GLN A 56 11.921 6.648 3.811 1.00 0.00 C ATOM 694 CG GLN A 56 13.061 6.114 2.954 1.00 0.00 C ATOM 695 CD GLN A 56 13.689 4.851 3.517 1.00 0.00 C ATOM 696 OE1 GLN A 56 13.472 4.494 4.676 1.00 0.00 O ATOM 697 NE2 GLN A 56 14.480 4.169 2.697 1.00 0.00 N ATOM 0 H GLN A 56 8.938 7.046 4.326 1.00 0.00 H new ATOM 0 HA GLN A 56 10.773 7.270 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.202 7.625 4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.783 5.988 4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.688 5.911 1.950 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.828 6.883 2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.633 4.499 1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.934 3.315 3.020 1.00 0.00 H new ATOM 706 N ILE A 57 9.084 5.361 1.814 1.00 0.00 N ATOM 707 CA ILE A 57 8.407 4.125 1.405 1.00 0.00 C ATOM 708 C ILE A 57 8.060 4.174 -0.087 1.00 0.00 C ATOM 709 O ILE A 57 8.016 5.251 -0.682 1.00 0.00 O ATOM 710 CB ILE A 57 7.100 3.895 2.211 1.00 0.00 C ATOM 711 CG1 ILE A 57 7.338 4.062 3.720 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.523 2.517 1.917 1.00 0.00 C ATOM 713 CD1 ILE A 57 8.082 2.906 4.359 1.00 0.00 C ATOM 0 H ILE A 57 8.795 6.184 1.285 1.00 0.00 H new ATOM 0 HA ILE A 57 9.094 3.303 1.604 1.00 0.00 H new ATOM 0 HB ILE A 57 6.380 4.651 1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.900 4.980 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.376 4.181 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.608 2.376 2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.300 2.435 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.248 1.752 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.210 3.100 5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.512 1.987 4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.060 2.799 3.890 1.00 0.00 H new ATOM 725 N ARG A 58 7.809 3.008 -0.688 1.00 0.00 N ATOM 726 CA ARG A 58 7.460 2.936 -2.111 1.00 0.00 C ATOM 727 C ARG A 58 6.685 1.655 -2.434 1.00 0.00 C ATOM 728 O ARG A 58 7.002 0.584 -1.918 1.00 0.00 O ATOM 729 CB ARG A 58 8.721 3.026 -2.977 1.00 0.00 C ATOM 730 CG ARG A 58 9.615 1.796 -2.901 1.00 0.00 C ATOM 731 CD ARG A 58 9.643 1.043 -4.223 1.00 0.00 C ATOM 732 NE ARG A 58 11.008 0.759 -4.670 1.00 0.00 N ATOM 733 CZ ARG A 58 11.321 -0.185 -5.563 1.00 0.00 C ATOM 734 NH1 ARG A 58 10.372 -0.940 -6.109 1.00 0.00 N ATOM 735 NH2 ARG A 58 12.589 -0.371 -5.914 1.00 0.00 N ATOM 0 H ARG A 58 7.840 2.105 -0.215 1.00 0.00 H new ATOM 0 HA ARG A 58 6.814 3.784 -2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.426 3.184 -4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.297 3.900 -2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.627 2.097 -2.631 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.258 1.134 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.095 0.107 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.128 1.629 -4.984 1.00 0.00 H new ATOM 0 HE ARG A 58 11.766 1.316 -4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.396 -0.801 -5.847 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.620 -1.658 -6.790 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.322 0.206 -5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.829 -1.091 -6.595 1.00 0.00 H new ATOM 749 N PHE A 59 5.665 1.774 -3.288 1.00 0.00 N ATOM 750 CA PHE A 59 4.844 0.623 -3.676 1.00 0.00 C ATOM 751 C PHE A 59 4.951 0.342 -5.176 1.00 0.00 C ATOM 752 O PHE A 59 5.358 1.209 -5.953 1.00 0.00 O ATOM 753 CB PHE A 59 3.378 0.861 -3.295 1.00 0.00 C ATOM 754 CG PHE A 59 3.131 0.845 -1.810 1.00 0.00 C ATOM 755 CD1 PHE A 59 3.671 1.829 -0.998 1.00 0.00 C ATOM 756 CD2 PHE A 59 2.362 -0.153 -1.226 1.00 0.00 C ATOM 757 CE1 PHE A 59 3.451 1.820 0.365 1.00 0.00 C ATOM 758 CE2 PHE A 59 2.140 -0.166 0.138 1.00 0.00 C ATOM 759 CZ PHE A 59 2.685 0.821 0.934 1.00 0.00 C ATOM 0 H PHE A 59 5.388 2.654 -3.723 1.00 0.00 H new ATOM 0 HA PHE A 59 5.219 -0.248 -3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.058 1.822 -3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.760 0.096 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.271 2.613 -1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.933 -0.927 -1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.878 2.594 0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.541 -0.948 0.581 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.513 0.812 2.000 1.00 0.00 H new ATOM 769 N ARG A 60 4.585 -0.879 -5.572 1.00 0.00 N ATOM 770 CA ARG A 60 4.639 -1.284 -6.976 1.00 0.00 C ATOM 771 C ARG A 60 3.392 -2.073 -7.370 1.00 0.00 C ATOM 772 O ARG A 60 3.042 -3.060 -6.719 1.00 0.00 O ATOM 773 CB ARG A 60 5.885 -2.134 -7.234 1.00 0.00 C ATOM 774 CG ARG A 60 7.177 -1.337 -7.228 1.00 0.00 C ATOM 775 CD ARG A 60 7.623 -0.985 -8.638 1.00 0.00 C ATOM 776 NE ARG A 60 8.792 -0.106 -8.634 1.00 0.00 N ATOM 777 CZ ARG A 60 9.663 -0.006 -9.641 1.00 0.00 C ATOM 778 NH1 ARG A 60 9.488 -0.704 -10.761 1.00 0.00 N ATOM 779 NH2 ARG A 60 10.710 0.803 -9.529 1.00 0.00 N ATOM 0 H ARG A 60 4.248 -1.604 -4.939 1.00 0.00 H new ATOM 0 HA ARG A 60 4.683 -0.380 -7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.946 -2.914 -6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.781 -2.634 -8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.039 -0.423 -6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.958 -1.913 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.857 -1.899 -9.184 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.804 -0.498 -9.168 1.00 0.00 H new ATOM 0 HE ARG A 60 8.953 0.469 -7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.682 -1.323 -10.856 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.159 -0.620 -11.524 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.847 1.345 -8.676 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.378 0.882 -10.296 1.00 0.00 H new ATOM 793 N PHE A 61 2.735 -1.637 -8.444 1.00 0.00 N ATOM 794 CA PHE A 61 1.534 -2.306 -8.936 1.00 0.00 C ATOM 795 C PHE A 61 1.843 -3.088 -10.212 1.00 0.00 C ATOM 796 O PHE A 61 1.770 -2.546 -11.316 1.00 0.00 O ATOM 797 CB PHE A 61 0.417 -1.289 -9.199 1.00 0.00 C ATOM 798 CG PHE A 61 -0.883 -1.916 -9.627 1.00 0.00 C ATOM 799 CD1 PHE A 61 -1.435 -2.966 -8.908 1.00 0.00 C ATOM 800 CD2 PHE A 61 -1.552 -1.453 -10.749 1.00 0.00 C ATOM 801 CE1 PHE A 61 -2.628 -3.540 -9.302 1.00 0.00 C ATOM 802 CE2 PHE A 61 -2.745 -2.024 -11.147 1.00 0.00 C ATOM 803 CZ PHE A 61 -3.284 -3.069 -10.422 1.00 0.00 C ATOM 0 H PHE A 61 3.016 -0.822 -8.990 1.00 0.00 H new ATOM 0 HA PHE A 61 1.195 -3.003 -8.170 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.248 -0.706 -8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.746 -0.593 -9.970 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.927 -3.339 -8.031 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.135 -0.636 -11.319 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.048 -4.357 -8.734 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.256 -1.654 -12.024 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.217 -3.517 -10.731 1.00 0.00 H new ATOM 813 N ASP A 62 2.195 -4.364 -10.047 1.00 0.00 N ATOM 814 CA ASP A 62 2.525 -5.234 -11.178 1.00 0.00 C ATOM 815 C ASP A 62 3.687 -4.662 -11.999 1.00 0.00 C ATOM 816 O ASP A 62 3.708 -4.770 -13.227 1.00 0.00 O ATOM 817 CB ASP A 62 1.293 -5.443 -12.068 1.00 0.00 C ATOM 818 CG ASP A 62 1.026 -6.909 -12.348 1.00 0.00 C ATOM 819 OD1 ASP A 62 0.777 -7.662 -11.382 1.00 0.00 O ATOM 820 OD2 ASP A 62 1.066 -7.305 -13.532 1.00 0.00 O ATOM 0 H ASP A 62 2.259 -4.820 -9.137 1.00 0.00 H new ATOM 0 HA ASP A 62 2.839 -6.199 -10.779 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.420 -5.003 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.435 -4.916 -13.011 1.00 0.00 H new ATOM 825 N GLY A 63 4.653 -4.054 -11.308 1.00 0.00 N ATOM 826 CA GLY A 63 5.804 -3.473 -11.981 1.00 0.00 C ATOM 827 C GLY A 63 5.586 -2.022 -12.388 1.00 0.00 C ATOM 828 O GLY A 63 6.250 -1.524 -13.298 1.00 0.00 O ATOM 0 H GLY A 63 4.657 -3.954 -10.293 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.671 -3.534 -11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.035 -4.063 -12.868 1.00 0.00 H new ATOM 832 N GLN A 64 4.660 -1.341 -11.711 1.00 0.00 N ATOM 833 CA GLN A 64 4.363 0.057 -12.005 1.00 0.00 C ATOM 834 C GLN A 64 4.740 0.943 -10.822 1.00 0.00 C ATOM 835 O GLN A 64 4.027 0.974 -9.816 1.00 0.00 O ATOM 836 CB GLN A 64 2.875 0.230 -12.330 1.00 0.00 C ATOM 837 CG GLN A 64 2.611 0.814 -13.709 1.00 0.00 C ATOM 838 CD GLN A 64 2.148 -0.231 -14.707 1.00 0.00 C ATOM 839 OE1 GLN A 64 2.803 -0.467 -15.722 1.00 0.00 O ATOM 840 NE2 GLN A 64 1.013 -0.862 -14.425 1.00 0.00 N ATOM 0 H GLN A 64 4.103 -1.738 -10.954 1.00 0.00 H new ATOM 0 HA GLN A 64 4.952 0.357 -12.872 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.382 -0.739 -12.256 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.422 0.877 -11.579 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.855 1.595 -13.630 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.521 1.287 -14.079 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.502 -0.635 -13.572 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.653 -1.573 -15.061 1.00 0.00 H new ATOM 849 N PRO A 65 5.873 1.674 -10.922 1.00 0.00 N ATOM 850 CA PRO A 65 6.343 2.564 -9.852 1.00 0.00 C ATOM 851 C PRO A 65 5.262 3.545 -9.403 1.00 0.00 C ATOM 852 O PRO A 65 5.098 4.617 -9.990 1.00 0.00 O ATOM 853 CB PRO A 65 7.514 3.315 -10.497 1.00 0.00 C ATOM 854 CG PRO A 65 8.002 2.406 -11.569 1.00 0.00 C ATOM 855 CD PRO A 65 6.786 1.684 -12.083 1.00 0.00 C ATOM 0 HA PRO A 65 6.620 2.011 -8.954 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.193 4.273 -10.906 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.298 3.526 -9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.488 2.968 -12.366 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.738 1.703 -11.180 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.344 2.199 -12.936 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.028 0.673 -12.411 1.00 0.00 H new ATOM 863 N ILE A 66 4.520 3.166 -8.364 1.00 0.00 N ATOM 864 CA ILE A 66 3.451 4.009 -7.841 1.00 0.00 C ATOM 865 C ILE A 66 3.884 4.712 -6.556 1.00 0.00 C ATOM 866 O ILE A 66 4.487 4.097 -5.674 1.00 0.00 O ATOM 867 CB ILE A 66 2.158 3.203 -7.570 1.00 0.00 C ATOM 868 CG1 ILE A 66 2.460 1.939 -6.755 1.00 0.00 C ATOM 869 CG2 ILE A 66 1.474 2.841 -8.882 1.00 0.00 C ATOM 870 CD1 ILE A 66 1.232 1.307 -6.135 1.00 0.00 C ATOM 0 H ILE A 66 4.640 2.282 -7.870 1.00 0.00 H new ATOM 0 HA ILE A 66 3.240 4.754 -8.608 1.00 0.00 H new ATOM 0 HB ILE A 66 1.483 3.829 -6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.947 1.208 -7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.168 2.188 -5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.566 2.274 -8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.218 3.752 -9.422 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.148 2.237 -9.489 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.524 0.419 -5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.756 2.020 -5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.531 1.026 -6.921 1.00 0.00 H new ATOM 882 N ASN A 67 3.572 6.004 -6.459 1.00 0.00 N ATOM 883 CA ASN A 67 3.926 6.794 -5.279 1.00 0.00 C ATOM 884 C ASN A 67 2.937 6.545 -4.142 1.00 0.00 C ATOM 885 O ASN A 67 1.798 6.125 -4.376 1.00 0.00 O ATOM 886 CB ASN A 67 3.970 8.295 -5.614 1.00 0.00 C ATOM 887 CG ASN A 67 2.708 8.802 -6.299 1.00 0.00 C ATOM 888 OD1 ASN A 67 1.631 8.221 -6.162 1.00 0.00 O ATOM 889 ND2 ASN A 67 2.836 9.898 -7.040 1.00 0.00 N ATOM 0 H ASN A 67 3.076 6.526 -7.182 1.00 0.00 H new ATOM 0 HA ASN A 67 4.919 6.479 -4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.127 8.860 -4.695 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.827 8.490 -6.258 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.024 10.287 -7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.746 10.350 -7.129 1.00 0.00 H new ATOM 896 N GLU A 68 3.369 6.815 -2.909 1.00 0.00 N ATOM 897 CA GLU A 68 2.510 6.627 -1.739 1.00 0.00 C ATOM 898 C GLU A 68 1.479 7.758 -1.627 1.00 0.00 C ATOM 899 O GLU A 68 1.345 8.389 -0.576 1.00 0.00 O ATOM 900 CB GLU A 68 3.352 6.543 -0.456 1.00 0.00 C ATOM 901 CG GLU A 68 4.280 7.733 -0.242 1.00 0.00 C ATOM 902 CD GLU A 68 5.745 7.360 -0.370 1.00 0.00 C ATOM 903 OE1 GLU A 68 6.241 7.286 -1.516 1.00 0.00 O ATOM 904 OE2 GLU A 68 6.396 7.137 0.675 1.00 0.00 O ATOM 0 H GLU A 68 4.304 7.163 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 68 1.973 5.687 -1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.683 6.459 0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.949 5.631 -0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.042 8.510 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.101 8.155 0.747 1.00 0.00 H new ATOM 911 N THR A 69 0.754 8.009 -2.720 1.00 0.00 N ATOM 912 CA THR A 69 -0.265 9.058 -2.751 1.00 0.00 C ATOM 913 C THR A 69 -1.174 8.932 -3.985 1.00 0.00 C ATOM 914 O THR A 69 -1.763 9.922 -4.430 1.00 0.00 O ATOM 915 CB THR A 69 0.402 10.441 -2.712 1.00 0.00 C ATOM 916 OG1 THR A 69 -0.568 11.478 -2.689 1.00 0.00 O ATOM 917 CG2 THR A 69 1.331 10.701 -3.881 1.00 0.00 C ATOM 0 H THR A 69 0.855 7.498 -3.597 1.00 0.00 H new ATOM 0 HA THR A 69 -0.895 8.940 -1.869 1.00 0.00 H new ATOM 0 HB THR A 69 0.994 10.439 -1.797 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.284 11.270 -3.325 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.765 11.696 -3.786 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.127 9.957 -3.886 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.769 10.637 -4.813 1.00 0.00 H new ATOM 925 N ASP A 70 -1.298 7.716 -4.530 1.00 0.00 N ATOM 926 CA ASP A 70 -2.149 7.493 -5.700 1.00 0.00 C ATOM 927 C ASP A 70 -3.627 7.456 -5.302 1.00 0.00 C ATOM 928 O ASP A 70 -3.971 7.697 -4.146 1.00 0.00 O ATOM 929 CB ASP A 70 -1.759 6.199 -6.428 1.00 0.00 C ATOM 930 CG ASP A 70 -1.806 4.976 -5.532 1.00 0.00 C ATOM 931 OD1 ASP A 70 -2.909 4.422 -5.338 1.00 0.00 O ATOM 932 OD2 ASP A 70 -0.738 4.573 -5.023 1.00 0.00 O ATOM 0 H ASP A 70 -0.825 6.882 -4.183 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.997 8.328 -6.384 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.430 6.049 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.753 6.306 -6.834 1.00 0.00 H new ATOM 937 N THR A 71 -4.497 7.159 -6.269 1.00 0.00 N ATOM 938 CA THR A 71 -5.940 7.099 -6.021 1.00 0.00 C ATOM 939 C THR A 71 -6.679 6.454 -7.196 1.00 0.00 C ATOM 940 O THR A 71 -7.370 5.455 -7.013 1.00 0.00 O ATOM 941 CB THR A 71 -6.525 8.497 -5.748 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.552 9.516 -5.934 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.090 8.652 -4.352 1.00 0.00 C ATOM 0 H THR A 71 -4.228 6.956 -7.232 1.00 0.00 H new ATOM 0 HA THR A 71 -6.083 6.483 -5.133 1.00 0.00 H new ATOM 0 HB THR A 71 -7.336 8.601 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.956 10.391 -5.754 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.485 9.661 -4.229 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.891 7.928 -4.201 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.302 8.479 -3.619 1.00 0.00 H new ATOM 951 N PRO A 72 -6.553 7.017 -8.423 1.00 0.00 N ATOM 952 CA PRO A 72 -7.224 6.477 -9.615 1.00 0.00 C ATOM 953 C PRO A 72 -7.093 4.958 -9.740 1.00 0.00 C ATOM 954 O PRO A 72 -8.089 4.257 -9.923 1.00 0.00 O ATOM 955 CB PRO A 72 -6.500 7.172 -10.767 1.00 0.00 C ATOM 956 CG PRO A 72 -6.062 8.477 -10.201 1.00 0.00 C ATOM 957 CD PRO A 72 -5.757 8.222 -8.746 1.00 0.00 C ATOM 0 HA PRO A 72 -8.299 6.658 -9.588 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.650 6.584 -11.113 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.160 7.312 -11.623 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.182 8.852 -10.723 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.843 9.230 -10.309 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.692 8.053 -8.584 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.044 9.069 -8.123 1.00 0.00 H new ATOM 965 N ALA A 73 -5.861 4.456 -9.636 1.00 0.00 N ATOM 966 CA ALA A 73 -5.606 3.018 -9.734 1.00 0.00 C ATOM 967 C ALA A 73 -6.220 2.272 -8.552 1.00 0.00 C ATOM 968 O ALA A 73 -6.928 1.278 -8.732 1.00 0.00 O ATOM 969 CB ALA A 73 -4.109 2.746 -9.808 1.00 0.00 C ATOM 0 H ALA A 73 -5.026 5.022 -9.484 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.075 2.654 -10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.937 1.672 -9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.692 3.240 -10.686 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.624 3.131 -8.911 1.00 0.00 H new ATOM 975 N GLN A 74 -5.947 2.765 -7.344 1.00 0.00 N ATOM 976 CA GLN A 74 -6.473 2.156 -6.124 1.00 0.00 C ATOM 977 C GLN A 74 -8.005 2.168 -6.113 1.00 0.00 C ATOM 978 O GLN A 74 -8.633 1.290 -5.521 1.00 0.00 O ATOM 979 CB GLN A 74 -5.932 2.887 -4.894 1.00 0.00 C ATOM 980 CG GLN A 74 -6.127 2.115 -3.598 1.00 0.00 C ATOM 981 CD GLN A 74 -6.659 2.985 -2.476 1.00 0.00 C ATOM 982 OE1 GLN A 74 -5.989 3.192 -1.464 1.00 0.00 O ATOM 983 NE2 GLN A 74 -7.870 3.500 -2.652 1.00 0.00 N ATOM 0 H GLN A 74 -5.363 3.586 -7.185 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.143 1.117 -6.097 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -4.869 3.083 -5.035 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.426 3.855 -4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.817 1.290 -3.771 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.176 1.677 -3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.389 3.301 -3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.281 4.094 -1.932 1.00 0.00 H new ATOM 992 N LEU A 75 -8.598 3.163 -6.775 1.00 0.00 N ATOM 993 CA LEU A 75 -10.051 3.282 -6.851 1.00 0.00 C ATOM 994 C LEU A 75 -10.611 2.313 -7.889 1.00 0.00 C ATOM 995 O LEU A 75 -11.712 1.783 -7.727 1.00 0.00 O ATOM 996 CB LEU A 75 -10.448 4.718 -7.205 1.00 0.00 C ATOM 997 CG LEU A 75 -11.764 5.202 -6.590 1.00 0.00 C ATOM 998 CD1 LEU A 75 -11.648 6.656 -6.155 1.00 0.00 C ATOM 999 CD2 LEU A 75 -12.912 5.026 -7.577 1.00 0.00 C ATOM 0 H LEU A 75 -8.091 3.899 -7.267 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.470 3.031 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.649 5.388 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.520 4.801 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.975 4.597 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.593 6.982 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.855 6.752 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.413 7.277 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.839 5.375 -7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.709 5.605 -8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.010 3.972 -7.837 1.00 0.00 H new ATOM 1011 N GLU A 76 -9.841 2.084 -8.956 1.00 0.00 N ATOM 1012 CA GLU A 76 -10.252 1.176 -10.025 1.00 0.00 C ATOM 1013 C GLU A 76 -10.510 -0.228 -9.479 1.00 0.00 C ATOM 1014 O GLU A 76 -11.560 -0.819 -9.737 1.00 0.00 O ATOM 1015 CB GLU A 76 -9.183 1.123 -11.122 1.00 0.00 C ATOM 1016 CG GLU A 76 -9.756 1.079 -12.530 1.00 0.00 C ATOM 1017 CD GLU A 76 -8.845 0.370 -13.515 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -7.664 0.762 -13.623 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -9.314 -0.577 -14.182 1.00 0.00 O ATOM 0 H GLU A 76 -8.929 2.517 -9.101 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.180 1.556 -10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.536 1.995 -11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.558 0.244 -10.966 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.722 0.575 -12.508 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.935 2.097 -12.876 1.00 0.00 H new ATOM 1026 N MET A 77 -9.549 -0.751 -8.716 1.00 0.00 N ATOM 1027 CA MET A 77 -9.678 -2.079 -8.126 1.00 0.00 C ATOM 1028 C MET A 77 -10.448 -2.008 -6.812 1.00 0.00 C ATOM 1029 O MET A 77 -10.383 -1.006 -6.096 1.00 0.00 O ATOM 1030 CB MET A 77 -8.298 -2.704 -7.903 1.00 0.00 C ATOM 1031 CG MET A 77 -7.859 -3.616 -9.036 1.00 0.00 C ATOM 1032 SD MET A 77 -8.182 -5.356 -8.689 1.00 0.00 S ATOM 1033 CE MET A 77 -8.611 -5.954 -10.320 1.00 0.00 C ATOM 0 H MET A 77 -8.675 -0.274 -8.494 1.00 0.00 H new ATOM 0 HA MET A 77 -10.235 -2.710 -8.819 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.563 -1.909 -7.781 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.311 -3.272 -6.973 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.378 -3.329 -9.951 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.793 -3.477 -9.217 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.838 -7.019 -10.269 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.484 -5.414 -10.688 1.00 0.00 H new ATOM 0 HE3 MET A 77 -7.773 -5.794 -10.998 1.00 0.00 H new ATOM 1043 N GLU A 78 -11.188 -3.072 -6.506 1.00 0.00 N ATOM 1044 CA GLU A 78 -11.985 -3.124 -5.283 1.00 0.00 C ATOM 1045 C GLU A 78 -12.430 -4.553 -4.979 1.00 0.00 C ATOM 1046 O GLU A 78 -13.627 -4.847 -4.928 1.00 0.00 O ATOM 1047 CB GLU A 78 -13.204 -2.200 -5.411 1.00 0.00 C ATOM 1048 CG GLU A 78 -14.056 -2.109 -4.146 1.00 0.00 C ATOM 1049 CD GLU A 78 -15.545 -2.041 -4.439 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -16.076 -2.987 -5.060 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -16.183 -1.041 -4.043 1.00 0.00 O ATOM 0 H GLU A 78 -11.252 -3.908 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.365 -2.782 -4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.862 -1.200 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.829 -2.553 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.854 -2.975 -3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.762 -1.226 -3.579 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.456 -5.437 -4.772 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.740 -6.839 -4.466 1.00 0.00 C ATOM 1060 C ASP A 79 -10.450 -7.639 -4.255 1.00 0.00 C ATOM 1061 O ASP A 79 -10.233 -8.201 -3.180 1.00 0.00 O ATOM 1062 CB ASP A 79 -12.597 -7.491 -5.567 1.00 0.00 C ATOM 1063 CG ASP A 79 -12.255 -7.036 -6.981 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -11.121 -6.563 -7.212 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -13.128 -7.162 -7.864 1.00 0.00 O ATOM 0 H ASP A 79 -10.463 -5.208 -4.810 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.307 -6.854 -3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.481 -8.573 -5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.647 -7.272 -5.371 1.00 0.00 H new ATOM 1070 N GLU A 80 -9.602 -7.694 -5.284 1.00 0.00 N ATOM 1071 CA GLU A 80 -8.342 -8.432 -5.206 1.00 0.00 C ATOM 1072 C GLU A 80 -7.231 -7.690 -5.944 1.00 0.00 C ATOM 1073 O GLU A 80 -7.098 -7.806 -7.164 1.00 0.00 O ATOM 1074 CB GLU A 80 -8.516 -9.837 -5.787 1.00 0.00 C ATOM 1075 CG GLU A 80 -9.596 -10.649 -5.094 1.00 0.00 C ATOM 1076 CD GLU A 80 -9.730 -12.046 -5.665 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -10.475 -12.214 -6.653 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -9.087 -12.970 -5.126 1.00 0.00 O ATOM 0 H GLU A 80 -9.766 -7.236 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.059 -8.515 -4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.757 -9.756 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.569 -10.371 -5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.369 -10.715 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.550 -10.130 -5.185 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.435 -6.927 -5.196 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.337 -6.160 -5.775 1.00 0.00 C ATOM 1087 C ASP A 81 -4.027 -6.450 -5.040 1.00 0.00 C ATOM 1088 O ASP A 81 -3.881 -6.122 -3.860 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.667 -4.662 -5.727 1.00 0.00 C ATOM 1090 CG ASP A 81 -4.654 -3.807 -6.468 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -3.471 -3.793 -6.063 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -5.044 -3.145 -7.452 1.00 0.00 O ATOM 0 H ASP A 81 -6.532 -6.825 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.210 -6.459 -6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.655 -4.499 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.715 -4.339 -4.687 1.00 0.00 H new ATOM 1097 N THR A 82 -3.079 -7.068 -5.750 1.00 0.00 N ATOM 1098 CA THR A 82 -1.777 -7.407 -5.174 1.00 0.00 C ATOM 1099 C THR A 82 -0.772 -6.283 -5.403 1.00 0.00 C ATOM 1100 O THR A 82 -0.627 -5.786 -6.522 1.00 0.00 O ATOM 1101 CB THR A 82 -1.233 -8.713 -5.772 1.00 0.00 C ATOM 1102 OG1 THR A 82 -1.831 -8.995 -7.030 1.00 0.00 O ATOM 1103 CG2 THR A 82 -1.443 -9.915 -4.873 1.00 0.00 C ATOM 0 H THR A 82 -3.190 -7.344 -6.726 1.00 0.00 H new ATOM 0 HA THR A 82 -1.919 -7.543 -4.102 1.00 0.00 H new ATOM 0 HB THR A 82 -0.162 -8.547 -5.886 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.464 -9.831 -7.387 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.036 -10.805 -5.354 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.935 -9.752 -3.923 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.509 -10.054 -4.695 1.00 0.00 H new ATOM 1111 N ILE A 83 -0.076 -5.890 -4.338 1.00 0.00 N ATOM 1112 CA ILE A 83 0.920 -4.823 -4.418 1.00 0.00 C ATOM 1113 C ILE A 83 2.243 -5.257 -3.788 1.00 0.00 C ATOM 1114 O ILE A 83 2.308 -6.267 -3.084 1.00 0.00 O ATOM 1115 CB ILE A 83 0.431 -3.530 -3.721 1.00 0.00 C ATOM 1116 CG1 ILE A 83 -1.102 -3.457 -3.713 1.00 0.00 C ATOM 1117 CG2 ILE A 83 1.015 -2.298 -4.401 1.00 0.00 C ATOM 1118 CD1 ILE A 83 -1.733 -4.021 -2.458 1.00 0.00 C ATOM 0 H ILE A 83 -0.184 -6.295 -3.408 1.00 0.00 H new ATOM 0 HA ILE A 83 1.072 -4.617 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 83 0.778 -3.554 -2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.408 -2.417 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.487 -3.998 -4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.659 -1.400 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.103 -2.336 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.701 -2.275 -5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.817 -3.935 -2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.458 -5.071 -2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.378 -3.464 -1.591 1.00 0.00 H new ATOM 1130 N ASP A 84 3.294 -4.479 -4.045 1.00 0.00 N ATOM 1131 CA ASP A 84 4.622 -4.765 -3.510 1.00 0.00 C ATOM 1132 C ASP A 84 5.253 -3.502 -2.932 1.00 0.00 C ATOM 1133 O ASP A 84 5.688 -2.619 -3.675 1.00 0.00 O ATOM 1134 CB ASP A 84 5.525 -5.337 -4.606 1.00 0.00 C ATOM 1135 CG ASP A 84 5.343 -6.830 -4.790 1.00 0.00 C ATOM 1136 OD1 ASP A 84 6.011 -7.602 -4.071 1.00 0.00 O ATOM 1137 OD2 ASP A 84 4.535 -7.227 -5.655 1.00 0.00 O ATOM 0 H ASP A 84 3.249 -3.641 -4.624 1.00 0.00 H new ATOM 0 HA ASP A 84 4.516 -5.501 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.313 -4.830 -5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.566 -5.129 -4.359 1.00 0.00 H new ATOM 1142 N VAL A 85 5.300 -3.421 -1.604 1.00 0.00 N ATOM 1143 CA VAL A 85 5.878 -2.264 -0.930 1.00 0.00 C ATOM 1144 C VAL A 85 7.359 -2.485 -0.617 1.00 0.00 C ATOM 1145 O VAL A 85 7.718 -3.335 0.201 1.00 0.00 O ATOM 1146 CB VAL A 85 5.110 -1.920 0.367 1.00 0.00 C ATOM 1147 CG1 VAL A 85 5.153 -3.076 1.357 1.00 0.00 C ATOM 1148 CG2 VAL A 85 5.661 -0.646 0.993 1.00 0.00 C ATOM 0 H VAL A 85 4.945 -4.142 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 85 5.790 -1.421 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 85 4.066 -1.749 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.604 -2.804 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.697 -3.958 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.189 -3.296 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.108 -0.420 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.715 -0.785 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.555 0.180 0.290 1.00 0.00 H new ATOM 1158 N PHE A 86 8.211 -1.709 -1.282 1.00 0.00 N ATOM 1159 CA PHE A 86 9.655 -1.802 -1.090 1.00 0.00 C ATOM 1160 C PHE A 86 10.170 -0.620 -0.269 1.00 0.00 C ATOM 1161 O PHE A 86 9.463 0.371 -0.079 1.00 0.00 O ATOM 1162 CB PHE A 86 10.369 -1.834 -2.444 1.00 0.00 C ATOM 1163 CG PHE A 86 9.995 -3.006 -3.307 1.00 0.00 C ATOM 1164 CD1 PHE A 86 8.921 -2.928 -4.180 1.00 0.00 C ATOM 1165 CD2 PHE A 86 10.722 -4.184 -3.251 1.00 0.00 C ATOM 1166 CE1 PHE A 86 8.580 -4.003 -4.978 1.00 0.00 C ATOM 1167 CE2 PHE A 86 10.386 -5.262 -4.047 1.00 0.00 C ATOM 1168 CZ PHE A 86 9.313 -5.171 -4.911 1.00 0.00 C ATOM 0 H PHE A 86 7.924 -1.005 -1.962 1.00 0.00 H new ATOM 0 HA PHE A 86 9.865 -2.725 -0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.145 -0.913 -2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.446 -1.850 -2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.344 -2.017 -4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 86 11.562 -4.261 -2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.741 -3.930 -5.654 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.962 -6.174 -3.993 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.047 -6.012 -5.534 1.00 0.00 H new ATOM 1178 N GLN A 87 11.410 -0.729 0.209 1.00 0.00 N ATOM 1179 CA GLN A 87 12.022 0.334 1.005 1.00 0.00 C ATOM 1180 C GLN A 87 13.526 0.110 1.163 1.00 0.00 C ATOM 1181 O GLN A 87 14.006 -1.021 1.065 1.00 0.00 O ATOM 1182 CB GLN A 87 11.359 0.421 2.386 1.00 0.00 C ATOM 1183 CG GLN A 87 11.430 -0.874 3.189 1.00 0.00 C ATOM 1184 CD GLN A 87 10.104 -1.615 3.243 1.00 0.00 C ATOM 1185 OE1 GLN A 87 9.163 -1.290 2.518 1.00 0.00 O ATOM 1186 NE2 GLN A 87 10.023 -2.622 4.108 1.00 0.00 N ATOM 0 H GLN A 87 12.009 -1.541 0.059 1.00 0.00 H new ATOM 0 HA GLN A 87 11.869 1.275 0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.835 1.218 2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.313 0.701 2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 87 12.186 -1.525 2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.755 -0.648 4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.826 -2.860 4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.158 -3.157 4.189 1.00 0.00 H new