USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 564 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 73 HIS : no HD1:sc= -1.91 K(o=-3.3,f=-4.9!) USER MOD Set 1.2: A 99 SER OG : rot -45:sc= -1.4 USER MOD Set 2.1: A 95 CYS SG : rot 157:sc= -0.576 USER MOD Set 2.2: A 98 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 102 HIS : no HE2:sc= -0.913 X(o=-1.5,f=-1.6) USER MOD Set 2.4: A 114 CYS SG : rot 180:sc= 0.0195 USER MOD Set 3.1: A 54 CYS SG : rot 160:sc= -0.573 USER MOD Set 3.2: A 59 CYS SG : rot -160:sc= 0.0735 USER MOD Set 3.3: A 76 CYS SG : rot 180:sc= -0.976 USER MOD Set 3.4: A 79 HIS : no HD1:sc= -3.32 K(o=-4.8,f=-3.3) USER MOD Single : A 55 GLN : amide:sc= 0.0662 X(o=0.066,f=0) USER MOD Single : A 60 THR OG1 : rot -49:sc= 1.22 USER MOD Single : A 63 MET CE :methyl -109:sc= -0.689 (180deg=-3.08!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.013) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 50:sc= 0.354 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 92 GLN : amide:sc= -0.0669 K(o=-0.067,f=-0.76) USER MOD Single : A 96 GLN : amide:sc= -0.0606 K(o=-0.061,f=-1.6!) USER MOD Single : A 97 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.0037) USER MOD Single : A 105 GLN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 68:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 51 -9.488 25.053 2.678 1.00 0.00 N ATOM 2 CA LEU A 51 -9.036 24.940 1.266 1.00 0.00 C ATOM 3 C LEU A 51 -9.208 23.518 0.744 1.00 0.00 C ATOM 4 O LEU A 51 -8.614 22.576 1.270 1.00 0.00 O ATOM 5 CB LEU A 51 -7.565 25.357 1.191 1.00 0.00 C ATOM 6 CG LEU A 51 -7.326 26.819 0.799 1.00 0.00 C ATOM 7 CD1 LEU A 51 -6.538 27.543 1.880 1.00 0.00 C ATOM 8 CD2 LEU A 51 -6.603 26.904 -0.538 1.00 0.00 C ATOM 0 HA LEU A 51 -9.645 25.594 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.102 25.176 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.057 24.716 0.471 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.295 27.308 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.379 28.579 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.095 27.516 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.574 27.053 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.443 27.950 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.641 26.397 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.207 26.426 -1.309 1.00 0.00 H new ATOM 20 N ARG A 52 -10.022 23.368 -0.295 1.00 0.00 N ATOM 21 CA ARG A 52 -10.271 22.060 -0.891 1.00 0.00 C ATOM 22 C ARG A 52 -9.046 21.570 -1.654 1.00 0.00 C ATOM 23 O ARG A 52 -8.880 21.866 -2.837 1.00 0.00 O ATOM 24 CB ARG A 52 -11.482 22.126 -1.825 1.00 0.00 C ATOM 25 CG ARG A 52 -12.672 21.315 -1.335 1.00 0.00 C ATOM 26 CD ARG A 52 -13.550 22.126 -0.396 1.00 0.00 C ATOM 27 NE ARG A 52 -13.130 21.994 0.998 1.00 0.00 N ATOM 28 CZ ARG A 52 -13.907 22.290 2.036 1.00 0.00 C ATOM 29 NH1 ARG A 52 -15.141 22.739 1.846 1.00 0.00 N ATOM 30 NH2 ARG A 52 -13.448 22.140 3.272 1.00 0.00 N ATOM 0 H ARG A 52 -10.521 24.137 -0.743 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.481 21.353 -0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.785 23.167 -1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.190 21.767 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.262 20.981 -2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.318 20.421 -0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.518 23.176 -0.686 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.585 21.799 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.186 21.655 1.185 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.500 22.859 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.731 22.964 2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.500 21.798 3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.044 22.367 4.068 1.00 0.00 H new ATOM 44 N LEU A 53 -8.187 20.820 -0.968 1.00 0.00 N ATOM 45 CA LEU A 53 -6.976 20.290 -1.581 1.00 0.00 C ATOM 46 C LEU A 53 -7.024 18.767 -1.667 1.00 0.00 C ATOM 47 O LEU A 53 -6.497 18.172 -2.608 1.00 0.00 O ATOM 48 CB LEU A 53 -5.745 20.730 -0.786 1.00 0.00 C ATOM 49 CG LEU A 53 -5.626 22.237 -0.555 1.00 0.00 C ATOM 50 CD1 LEU A 53 -4.416 22.551 0.310 1.00 0.00 C ATOM 51 CD2 LEU A 53 -5.542 22.974 -1.883 1.00 0.00 C ATOM 0 H LEU A 53 -8.309 20.567 0.013 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.910 20.687 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.759 20.230 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.852 20.387 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.519 22.577 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.348 23.628 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.519 22.053 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.512 22.197 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.458 24.045 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.667 22.630 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.441 22.775 -2.467 1.00 0.00 H new ATOM 63 N CYS A 54 -7.659 18.141 -0.680 1.00 0.00 N ATOM 64 CA CYS A 54 -7.775 16.686 -0.647 1.00 0.00 C ATOM 65 C CYS A 54 -8.450 16.163 -1.911 1.00 0.00 C ATOM 66 O CYS A 54 -9.389 16.774 -2.423 1.00 0.00 O ATOM 67 CB CYS A 54 -8.566 16.246 0.587 1.00 0.00 C ATOM 68 SG CYS A 54 -8.156 14.586 1.174 1.00 0.00 S ATOM 0 H CYS A 54 -8.101 18.617 0.106 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.770 16.268 -0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.388 16.959 1.392 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.630 16.285 0.356 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.528 14.460 2.413 1.00 0.00 H new ATOM 73 N GLN A 55 -7.968 15.030 -2.409 1.00 0.00 N ATOM 74 CA GLN A 55 -8.525 14.425 -3.613 1.00 0.00 C ATOM 75 C GLN A 55 -9.754 13.585 -3.283 1.00 0.00 C ATOM 76 O GLN A 55 -10.669 13.459 -4.097 1.00 0.00 O ATOM 77 CB GLN A 55 -7.472 13.560 -4.311 1.00 0.00 C ATOM 78 CG GLN A 55 -6.936 12.435 -3.441 1.00 0.00 C ATOM 79 CD GLN A 55 -5.990 11.519 -4.193 1.00 0.00 C ATOM 80 OE1 GLN A 55 -6.420 10.587 -4.873 1.00 0.00 O ATOM 81 NE2 GLN A 55 -4.694 11.780 -4.074 1.00 0.00 N ATOM 0 H GLN A 55 -7.192 14.512 -1.997 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.827 15.228 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.905 13.134 -5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.642 14.194 -4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.418 12.860 -2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.771 11.851 -3.053 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.382 12.563 -3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.010 11.197 -4.557 1.00 0.00 H new ATOM 90 N VAL A 56 -9.768 13.009 -2.085 1.00 0.00 N ATOM 91 CA VAL A 56 -10.885 12.180 -1.650 1.00 0.00 C ATOM 92 C VAL A 56 -12.181 12.984 -1.608 1.00 0.00 C ATOM 93 O VAL A 56 -12.174 14.174 -1.294 1.00 0.00 O ATOM 94 CB VAL A 56 -10.632 11.570 -0.256 1.00 0.00 C ATOM 95 CG1 VAL A 56 -11.634 10.463 0.034 1.00 0.00 C ATOM 96 CG2 VAL A 56 -9.206 11.049 -0.148 1.00 0.00 C ATOM 0 H VAL A 56 -9.019 13.101 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.978 11.374 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.765 12.354 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.439 10.045 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.645 10.870 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.537 9.679 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.048 10.623 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.041 10.281 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.506 11.869 -0.306 1.00 0.00 H new ATOM 106 N ASP A 57 -13.290 12.324 -1.924 1.00 0.00 N ATOM 107 CA ASP A 57 -14.593 12.978 -1.920 1.00 0.00 C ATOM 108 C ASP A 57 -15.244 12.883 -0.546 1.00 0.00 C ATOM 109 O ASP A 57 -14.864 12.052 0.278 1.00 0.00 O ATOM 110 CB ASP A 57 -15.505 12.349 -2.975 1.00 0.00 C ATOM 111 CG ASP A 57 -15.429 13.067 -4.308 1.00 0.00 C ATOM 112 OD1 ASP A 57 -15.963 14.191 -4.408 1.00 0.00 O ATOM 113 OD2 ASP A 57 -14.836 12.504 -5.252 1.00 0.00 O ATOM 0 H ASP A 57 -13.313 11.338 -2.186 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.445 14.031 -2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.229 11.303 -3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -16.534 12.363 -2.616 1.00 0.00 H new ATOM 118 N ARG A 58 -16.230 13.741 -0.307 1.00 0.00 N ATOM 119 CA ARG A 58 -16.941 13.760 0.968 1.00 0.00 C ATOM 120 C ARG A 58 -16.023 14.198 2.108 1.00 0.00 C ATOM 121 O ARG A 58 -16.327 13.971 3.279 1.00 0.00 O ATOM 122 CB ARG A 58 -17.528 12.377 1.268 1.00 0.00 C ATOM 123 CG ARG A 58 -19.050 12.356 1.322 1.00 0.00 C ATOM 124 CD ARG A 58 -19.591 13.309 2.377 1.00 0.00 C ATOM 125 NE ARG A 58 -21.030 13.521 2.232 1.00 0.00 N ATOM 126 CZ ARG A 58 -21.584 14.185 1.221 1.00 0.00 C ATOM 127 NH1 ARG A 58 -20.826 14.706 0.264 1.00 0.00 N ATOM 128 NH2 ARG A 58 -22.902 14.328 1.165 1.00 0.00 N ATOM 0 H ARG A 58 -16.556 14.434 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.752 14.484 0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -17.191 11.676 0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -17.135 12.024 2.221 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -19.452 12.628 0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.392 11.344 1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -19.381 12.910 3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -19.074 14.265 2.302 1.00 0.00 H new ATOM 0 HE ARG A 58 -21.646 13.137 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.812 14.598 0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.257 15.214 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -23.490 13.929 1.897 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -23.327 14.837 0.390 1.00 0.00 H new ATOM 142 N CYS A 59 -14.902 14.826 1.763 1.00 0.00 N ATOM 143 CA CYS A 59 -13.950 15.293 2.765 1.00 0.00 C ATOM 144 C CYS A 59 -14.387 16.634 3.345 1.00 0.00 C ATOM 145 O CYS A 59 -14.745 17.553 2.609 1.00 0.00 O ATOM 146 CB CYS A 59 -12.552 15.417 2.159 1.00 0.00 C ATOM 147 SG CYS A 59 -11.262 15.823 3.358 1.00 0.00 S ATOM 0 H CYS A 59 -14.632 15.023 0.799 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.922 14.559 3.570 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.295 14.478 1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.569 16.185 1.386 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.231 16.313 2.737 1.00 0.00 H new ATOM 152 N THR A 60 -14.354 16.739 4.670 1.00 0.00 N ATOM 153 CA THR A 60 -14.746 17.970 5.347 1.00 0.00 C ATOM 154 C THR A 60 -13.659 18.440 6.312 1.00 0.00 C ATOM 155 O THR A 60 -13.939 19.158 7.272 1.00 0.00 O ATOM 156 CB THR A 60 -16.062 17.787 6.126 1.00 0.00 C ATOM 157 OG1 THR A 60 -16.417 19.009 6.784 1.00 0.00 O ATOM 158 CG2 THR A 60 -15.933 16.673 7.153 1.00 0.00 C ATOM 0 H THR A 60 -14.060 15.988 5.295 1.00 0.00 H new ATOM 0 HA THR A 60 -14.891 18.723 4.573 1.00 0.00 H new ATOM 0 HB THR A 60 -16.843 17.517 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 60 -15.643 19.350 7.279 1.00 0.00 H new ATOM 0 HG21 THR A 60 -16.875 16.563 7.690 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.692 15.738 6.647 1.00 0.00 H new ATOM 0 HG23 THR A 60 -15.139 16.919 7.859 1.00 0.00 H new ATOM 166 N ALA A 61 -12.423 18.030 6.051 1.00 0.00 N ATOM 167 CA ALA A 61 -11.298 18.411 6.897 1.00 0.00 C ATOM 168 C ALA A 61 -10.661 19.708 6.411 1.00 0.00 C ATOM 169 O ALA A 61 -10.910 20.153 5.290 1.00 0.00 O ATOM 170 CB ALA A 61 -10.265 17.295 6.935 1.00 0.00 C ATOM 0 H ALA A 61 -12.175 17.434 5.261 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.674 18.578 7.906 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.431 17.593 7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.721 16.390 7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.902 17.101 5.926 1.00 0.00 H new ATOM 176 N ASP A 62 -9.835 20.312 7.260 1.00 0.00 N ATOM 177 CA ASP A 62 -9.162 21.558 6.915 1.00 0.00 C ATOM 178 C ASP A 62 -7.759 21.287 6.381 1.00 0.00 C ATOM 179 O ASP A 62 -7.069 20.383 6.850 1.00 0.00 O ATOM 180 CB ASP A 62 -9.087 22.476 8.135 1.00 0.00 C ATOM 181 CG ASP A 62 -8.731 23.903 7.764 1.00 0.00 C ATOM 182 OD1 ASP A 62 -7.526 24.192 7.607 1.00 0.00 O ATOM 183 OD2 ASP A 62 -9.657 24.730 7.631 1.00 0.00 O ATOM 0 H ASP A 62 -9.616 19.958 8.191 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.741 22.051 6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.046 22.467 8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.344 22.089 8.833 1.00 0.00 H new ATOM 188 N MET A 63 -7.342 22.077 5.396 1.00 0.00 N ATOM 189 CA MET A 63 -6.022 21.921 4.798 1.00 0.00 C ATOM 190 C MET A 63 -5.386 23.279 4.521 1.00 0.00 C ATOM 191 O MET A 63 -4.662 23.448 3.541 1.00 0.00 O ATOM 192 CB MET A 63 -6.118 21.116 3.501 1.00 0.00 C ATOM 193 CG MET A 63 -6.045 19.613 3.713 1.00 0.00 C ATOM 194 SD MET A 63 -5.241 18.756 2.346 1.00 0.00 S ATOM 195 CE MET A 63 -3.697 18.269 3.111 1.00 0.00 C ATOM 0 H MET A 63 -7.900 22.831 4.996 1.00 0.00 H new ATOM 0 HA MET A 63 -5.392 21.382 5.506 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.055 21.359 3.000 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.312 21.420 2.833 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.502 19.406 4.635 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.053 19.219 3.841 1.00 0.00 H new ATOM 0 HE1 MET A 63 -2.882 18.861 2.695 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.755 18.437 4.186 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.513 17.212 2.918 1.00 0.00 H new ATOM 205 N LYS A 64 -5.659 24.245 5.393 1.00 0.00 N ATOM 206 CA LYS A 64 -5.111 25.587 5.243 1.00 0.00 C ATOM 207 C LYS A 64 -3.598 25.580 5.427 1.00 0.00 C ATOM 208 O LYS A 64 -2.875 26.316 4.755 1.00 0.00 O ATOM 209 CB LYS A 64 -5.757 26.540 6.251 1.00 0.00 C ATOM 210 CG LYS A 64 -6.047 27.921 5.684 1.00 0.00 C ATOM 211 CD LYS A 64 -4.793 28.564 5.116 1.00 0.00 C ATOM 212 CE LYS A 64 -5.091 29.925 4.508 1.00 0.00 C ATOM 213 NZ LYS A 64 -3.847 30.666 4.163 1.00 0.00 N ATOM 0 H LYS A 64 -6.257 24.122 6.211 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.333 25.933 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.688 26.100 6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.100 26.642 7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.803 27.843 4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.461 28.557 6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.049 28.672 5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.360 27.912 4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.697 29.797 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.681 30.514 5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.095 31.588 3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.280 30.812 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.295 30.116 3.474 1.00 0.00 H new ATOM 227 N GLU A 65 -3.124 24.742 6.344 1.00 0.00 N ATOM 228 CA GLU A 65 -1.696 24.638 6.618 1.00 0.00 C ATOM 229 C GLU A 65 -1.295 23.186 6.864 1.00 0.00 C ATOM 230 O GLU A 65 -1.080 22.775 8.004 1.00 0.00 O ATOM 231 CB GLU A 65 -1.322 25.495 7.828 1.00 0.00 C ATOM 232 CG GLU A 65 -1.511 26.986 7.599 1.00 0.00 C ATOM 233 CD GLU A 65 -0.291 27.639 6.982 1.00 0.00 C ATOM 234 OE1 GLU A 65 0.839 27.282 7.378 1.00 0.00 O ATOM 235 OE2 GLU A 65 -0.464 28.510 6.102 1.00 0.00 O ATOM 0 H GLU A 65 -3.708 24.126 6.909 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.156 25.003 5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.926 25.187 8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.281 25.305 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.371 27.144 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.737 27.470 8.549 1.00 0.00 H new ATOM 242 N ALA A 66 -1.199 22.414 5.786 1.00 0.00 N ATOM 243 CA ALA A 66 -0.825 21.009 5.882 1.00 0.00 C ATOM 244 C ALA A 66 0.682 20.829 5.734 1.00 0.00 C ATOM 245 O ALA A 66 1.430 21.805 5.666 1.00 0.00 O ATOM 246 CB ALA A 66 -1.561 20.194 4.830 1.00 0.00 C ATOM 0 H ALA A 66 -1.375 22.739 4.835 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.111 20.650 6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.272 19.146 4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.636 20.287 4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.303 20.564 3.837 1.00 0.00 H new ATOM 252 N LYS A 67 1.120 19.575 5.683 1.00 0.00 N ATOM 253 CA LYS A 67 2.539 19.268 5.543 1.00 0.00 C ATOM 254 C LYS A 67 2.889 18.962 4.090 1.00 0.00 C ATOM 255 O LYS A 67 2.012 18.658 3.281 1.00 0.00 O ATOM 256 CB LYS A 67 2.916 18.081 6.433 1.00 0.00 C ATOM 257 CG LYS A 67 4.372 18.085 6.867 1.00 0.00 C ATOM 258 CD LYS A 67 4.506 18.167 8.380 1.00 0.00 C ATOM 259 CE LYS A 67 5.873 17.689 8.849 1.00 0.00 C ATOM 260 NZ LYS A 67 6.696 18.805 9.391 1.00 0.00 N ATOM 0 H LYS A 67 0.514 18.756 5.736 1.00 0.00 H new ATOM 0 HA LYS A 67 3.107 20.143 5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.281 18.086 7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.708 17.155 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.862 17.181 6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.886 18.930 6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.349 19.196 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.729 17.563 8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.747 16.925 9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.399 17.221 8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.619 18.438 9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.838 19.522 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.206 19.236 10.201 1.00 0.00 H new ATOM 274 N LEU A 68 4.175 19.046 3.767 1.00 0.00 N ATOM 275 CA LEU A 68 4.642 18.777 2.411 1.00 0.00 C ATOM 276 C LEU A 68 4.286 17.358 1.977 1.00 0.00 C ATOM 277 O LEU A 68 4.185 17.072 0.784 1.00 0.00 O ATOM 278 CB LEU A 68 6.155 18.985 2.321 1.00 0.00 C ATOM 279 CG LEU A 68 6.646 20.366 2.761 1.00 0.00 C ATOM 280 CD1 LEU A 68 8.006 20.260 3.432 1.00 0.00 C ATOM 281 CD2 LEU A 68 6.708 21.312 1.571 1.00 0.00 C ATOM 0 H LEU A 68 4.913 19.298 4.425 1.00 0.00 H new ATOM 0 HA LEU A 68 4.143 19.476 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.647 18.229 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.469 18.816 1.291 1.00 0.00 H new ATOM 0 HG LEU A 68 5.938 20.770 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.339 21.252 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.930 19.616 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.725 19.836 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.059 22.290 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.395 20.913 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.715 21.412 1.134 1.00 0.00 H new ATOM 293 N TYR A 69 4.097 16.472 2.950 1.00 0.00 N ATOM 294 CA TYR A 69 3.754 15.084 2.663 1.00 0.00 C ATOM 295 C TYR A 69 2.268 14.945 2.346 1.00 0.00 C ATOM 296 O TYR A 69 1.875 14.132 1.509 1.00 0.00 O ATOM 297 CB TYR A 69 4.120 14.192 3.850 1.00 0.00 C ATOM 298 CG TYR A 69 3.826 12.727 3.620 1.00 0.00 C ATOM 299 CD1 TYR A 69 4.510 12.004 2.650 1.00 0.00 C ATOM 300 CD2 TYR A 69 2.864 12.067 4.373 1.00 0.00 C ATOM 301 CE1 TYR A 69 4.243 10.664 2.438 1.00 0.00 C ATOM 302 CE2 TYR A 69 2.592 10.727 4.168 1.00 0.00 C ATOM 303 CZ TYR A 69 3.284 10.031 3.198 1.00 0.00 C ATOM 304 OH TYR A 69 3.015 8.697 2.990 1.00 0.00 O ATOM 0 H TYR A 69 4.176 16.691 3.943 1.00 0.00 H new ATOM 0 HA TYR A 69 4.324 14.767 1.790 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.181 14.311 4.069 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.573 14.530 4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.262 12.497 2.052 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.319 12.609 5.131 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.784 10.116 1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.842 10.228 4.764 1.00 0.00 H new ATOM 0 HH TYR A 69 2.314 8.404 3.609 1.00 0.00 H new ATOM 314 N HIS A 70 1.446 15.740 3.022 1.00 0.00 N ATOM 315 CA HIS A 70 0.003 15.706 2.812 1.00 0.00 C ATOM 316 C HIS A 70 -0.402 16.601 1.645 1.00 0.00 C ATOM 317 O HIS A 70 -1.404 16.350 0.976 1.00 0.00 O ATOM 318 CB HIS A 70 -0.730 16.140 4.082 1.00 0.00 C ATOM 319 CG HIS A 70 -0.851 15.053 5.105 1.00 0.00 C ATOM 320 ND1 HIS A 70 -0.833 15.291 6.464 1.00 0.00 N ATOM 321 CD2 HIS A 70 -0.995 13.713 4.962 1.00 0.00 C ATOM 322 CE1 HIS A 70 -0.957 14.146 7.110 1.00 0.00 C ATOM 323 NE2 HIS A 70 -1.058 13.174 6.222 1.00 0.00 N ATOM 0 H HIS A 70 1.754 16.416 3.721 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.278 14.680 2.572 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.204 16.986 4.524 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.728 16.489 3.815 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.050 13.171 4.030 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.973 14.025 8.183 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.165 12.183 6.438 1.00 0.00 H new ATOM 331 N ARG A 71 0.384 17.647 1.406 1.00 0.00 N ATOM 332 CA ARG A 71 0.105 18.580 0.321 1.00 0.00 C ATOM 333 C ARG A 71 0.576 18.014 -1.015 1.00 0.00 C ATOM 334 O ARG A 71 -0.012 18.292 -2.061 1.00 0.00 O ATOM 335 CB ARG A 71 0.783 19.926 0.591 1.00 0.00 C ATOM 336 CG ARG A 71 -0.199 21.057 0.855 1.00 0.00 C ATOM 337 CD ARG A 71 -0.075 22.160 -0.184 1.00 0.00 C ATOM 338 NE ARG A 71 1.260 22.749 -0.204 1.00 0.00 N ATOM 339 CZ ARG A 71 1.745 23.459 -1.220 1.00 0.00 C ATOM 340 NH1 ARG A 71 1.005 23.670 -2.302 1.00 0.00 N ATOM 341 NH2 ARG A 71 2.970 23.959 -1.154 1.00 0.00 N ATOM 0 H ARG A 71 1.218 17.869 1.949 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.973 18.731 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.447 19.824 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.406 20.188 -0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.216 20.665 0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.021 21.470 1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.307 21.757 -1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.810 22.937 0.024 1.00 0.00 H new ATOM 0 HE ARG A 71 1.858 22.608 0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.061 23.287 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.380 24.215 -3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.542 23.800 -0.324 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.341 24.503 -1.933 1.00 0.00 H new ATOM 355 N ARG A 72 1.642 17.221 -0.975 1.00 0.00 N ATOM 356 CA ARG A 72 2.192 16.617 -2.182 1.00 0.00 C ATOM 357 C ARG A 72 1.311 15.469 -2.667 1.00 0.00 C ATOM 358 O ARG A 72 1.128 15.278 -3.869 1.00 0.00 O ATOM 359 CB ARG A 72 3.613 16.112 -1.922 1.00 0.00 C ATOM 360 CG ARG A 72 4.269 15.488 -3.144 1.00 0.00 C ATOM 361 CD ARG A 72 5.672 14.987 -2.831 1.00 0.00 C ATOM 362 NE ARG A 72 6.687 15.670 -3.628 1.00 0.00 N ATOM 363 CZ ARG A 72 7.919 15.204 -3.816 1.00 0.00 C ATOM 364 NH1 ARG A 72 8.293 14.055 -3.266 1.00 0.00 N ATOM 365 NH2 ARG A 72 8.781 15.888 -4.556 1.00 0.00 N ATOM 0 H ARG A 72 2.142 16.982 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 72 2.222 17.380 -2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.227 16.943 -1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.587 15.376 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.658 14.660 -3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.315 16.222 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.882 15.136 -1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.724 13.915 -3.019 1.00 0.00 H new ATOM 0 HE ARG A 72 6.437 16.556 -4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.635 13.524 -2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.239 13.703 -3.414 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.500 16.771 -4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.725 15.531 -4.700 1.00 0.00 H new ATOM 379 N HIS A 73 0.770 14.708 -1.723 1.00 0.00 N ATOM 380 CA HIS A 73 -0.091 13.577 -2.052 1.00 0.00 C ATOM 381 C HIS A 73 -1.545 14.017 -2.227 1.00 0.00 C ATOM 382 O HIS A 73 -2.375 13.254 -2.720 1.00 0.00 O ATOM 383 CB HIS A 73 0.001 12.507 -0.963 1.00 0.00 C ATOM 384 CG HIS A 73 1.332 11.824 -0.906 1.00 0.00 C ATOM 385 ND1 HIS A 73 2.209 11.793 -1.970 1.00 0.00 N ATOM 386 CD2 HIS A 73 1.938 11.145 0.098 1.00 0.00 C ATOM 387 CE1 HIS A 73 3.294 11.124 -1.624 1.00 0.00 C ATOM 388 NE2 HIS A 73 3.155 10.721 -0.375 1.00 0.00 N ATOM 0 H HIS A 73 0.912 14.853 -0.723 1.00 0.00 H new ATOM 0 HA HIS A 73 0.254 13.159 -2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.204 12.966 0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.775 11.760 -1.133 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.538 10.970 1.086 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.150 10.938 -2.256 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.841 10.182 0.153 1.00 0.00 H new ATOM 396 N LYS A 74 -1.848 15.249 -1.821 1.00 0.00 N ATOM 397 CA LYS A 74 -3.202 15.780 -1.937 1.00 0.00 C ATOM 398 C LYS A 74 -4.172 14.986 -1.068 1.00 0.00 C ATOM 399 O LYS A 74 -5.330 14.785 -1.434 1.00 0.00 O ATOM 400 CB LYS A 74 -3.660 15.756 -3.397 1.00 0.00 C ATOM 401 CG LYS A 74 -3.453 17.078 -4.120 1.00 0.00 C ATOM 402 CD LYS A 74 -3.316 16.875 -5.620 1.00 0.00 C ATOM 403 CE LYS A 74 -3.980 18.001 -6.398 1.00 0.00 C ATOM 404 NZ LYS A 74 -4.158 17.654 -7.833 1.00 0.00 N ATOM 0 H LYS A 74 -1.175 15.896 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.194 16.812 -1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.118 14.973 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.717 15.493 -3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.294 17.741 -3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.559 17.569 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.260 16.821 -5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.765 15.923 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.951 18.225 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.376 18.905 -6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.614 18.447 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.230 17.465 -8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.755 16.807 -7.914 1.00 0.00 H new ATOM 418 N VAL A 75 -3.691 14.536 0.087 1.00 0.00 N ATOM 419 CA VAL A 75 -4.512 13.765 1.010 1.00 0.00 C ATOM 420 C VAL A 75 -4.283 14.216 2.450 1.00 0.00 C ATOM 421 O VAL A 75 -3.166 14.564 2.830 1.00 0.00 O ATOM 422 CB VAL A 75 -4.219 12.255 0.898 1.00 0.00 C ATOM 423 CG1 VAL A 75 -2.768 11.962 1.249 1.00 0.00 C ATOM 424 CG2 VAL A 75 -5.163 11.458 1.786 1.00 0.00 C ATOM 0 H VAL A 75 -2.735 14.693 0.405 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.552 13.942 0.737 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.386 11.949 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.582 10.891 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.112 12.500 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.569 12.285 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.940 10.395 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.034 11.766 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.193 11.641 1.479 1.00 0.00 H new ATOM 434 N CYS A 76 -5.347 14.210 3.246 1.00 0.00 N ATOM 435 CA CYS A 76 -5.258 14.621 4.641 1.00 0.00 C ATOM 436 C CYS A 76 -5.055 13.413 5.554 1.00 0.00 C ATOM 437 O CYS A 76 -5.103 12.268 5.104 1.00 0.00 O ATOM 438 CB CYS A 76 -6.515 15.394 5.051 1.00 0.00 C ATOM 439 SG CYS A 76 -7.992 14.371 5.261 1.00 0.00 S ATOM 0 H CYS A 76 -6.280 13.925 2.949 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.394 15.277 4.747 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.315 15.917 5.986 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.720 16.155 4.298 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.994 15.122 5.609 1.00 0.00 H new ATOM 444 N GLU A 77 -4.825 13.678 6.836 1.00 0.00 N ATOM 445 CA GLU A 77 -4.611 12.614 7.812 1.00 0.00 C ATOM 446 C GLU A 77 -5.886 11.807 8.034 1.00 0.00 C ATOM 447 O GLU A 77 -5.837 10.594 8.236 1.00 0.00 O ATOM 448 CB GLU A 77 -4.127 13.200 9.139 1.00 0.00 C ATOM 449 CG GLU A 77 -3.156 12.299 9.884 1.00 0.00 C ATOM 450 CD GLU A 77 -2.884 12.777 11.297 1.00 0.00 C ATOM 451 OE1 GLU A 77 -2.657 13.991 11.478 1.00 0.00 O ATOM 452 OE2 GLU A 77 -2.897 11.936 12.220 1.00 0.00 O ATOM 0 H GLU A 77 -4.782 14.620 7.224 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.847 11.945 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.646 14.160 8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.989 13.396 9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.559 11.287 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.216 12.250 9.334 1.00 0.00 H new ATOM 459 N VAL A 78 -7.029 12.488 8.000 1.00 0.00 N ATOM 460 CA VAL A 78 -8.316 11.831 8.202 1.00 0.00 C ATOM 461 C VAL A 78 -8.523 10.699 7.199 1.00 0.00 C ATOM 462 O VAL A 78 -9.199 9.713 7.493 1.00 0.00 O ATOM 463 CB VAL A 78 -9.483 12.829 8.077 1.00 0.00 C ATOM 464 CG1 VAL A 78 -10.802 12.161 8.436 1.00 0.00 C ATOM 465 CG2 VAL A 78 -9.239 14.049 8.952 1.00 0.00 C ATOM 0 H VAL A 78 -7.089 13.493 7.835 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.303 11.420 9.212 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.542 13.160 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.613 12.883 8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.981 11.323 7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.758 11.797 9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.074 14.742 8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.150 13.738 9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.318 14.542 8.641 1.00 0.00 H new ATOM 475 N HIS A 79 -7.940 10.848 6.015 1.00 0.00 N ATOM 476 CA HIS A 79 -8.063 9.838 4.971 1.00 0.00 C ATOM 477 C HIS A 79 -6.786 9.012 4.857 1.00 0.00 C ATOM 478 O HIS A 79 -6.821 7.849 4.452 1.00 0.00 O ATOM 479 CB HIS A 79 -8.382 10.498 3.629 1.00 0.00 C ATOM 480 CG HIS A 79 -9.818 10.901 3.490 1.00 0.00 C ATOM 481 ND1 HIS A 79 -10.224 12.211 3.352 1.00 0.00 N ATOM 482 CD2 HIS A 79 -10.948 10.157 3.471 1.00 0.00 C ATOM 483 CE1 HIS A 79 -11.540 12.257 3.255 1.00 0.00 C ATOM 484 NE2 HIS A 79 -12.005 11.024 3.323 1.00 0.00 N ATOM 0 H HIS A 79 -7.378 11.658 5.754 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.880 9.170 5.242 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.752 11.379 3.507 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.126 9.809 2.824 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.009 9.082 3.556 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.134 13.151 3.140 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.988 10.757 3.274 1.00 0.00 H new ATOM 491 N ALA A 80 -5.659 9.616 5.218 1.00 0.00 N ATOM 492 CA ALA A 80 -4.373 8.932 5.156 1.00 0.00 C ATOM 493 C ALA A 80 -4.356 7.715 6.076 1.00 0.00 C ATOM 494 O ALA A 80 -3.676 6.726 5.802 1.00 0.00 O ATOM 495 CB ALA A 80 -3.248 9.889 5.523 1.00 0.00 C ATOM 0 H ALA A 80 -5.610 10.577 5.556 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.221 8.586 4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.294 9.365 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.240 10.726 4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.404 10.263 6.535 1.00 0.00 H new ATOM 501 N LYS A 81 -5.110 7.794 7.168 1.00 0.00 N ATOM 502 CA LYS A 81 -5.183 6.700 8.129 1.00 0.00 C ATOM 503 C LYS A 81 -6.567 6.061 8.121 1.00 0.00 C ATOM 504 O LYS A 81 -7.036 5.557 9.142 1.00 0.00 O ATOM 505 CB LYS A 81 -4.849 7.206 9.535 1.00 0.00 C ATOM 506 CG LYS A 81 -3.373 7.107 9.882 1.00 0.00 C ATOM 507 CD LYS A 81 -3.164 6.930 11.378 1.00 0.00 C ATOM 508 CE LYS A 81 -1.689 6.974 11.744 1.00 0.00 C ATOM 509 NZ LYS A 81 -1.485 7.106 13.213 1.00 0.00 N ATOM 0 H LYS A 81 -5.679 8.605 7.409 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.453 5.945 7.839 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.165 8.245 9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.424 6.635 10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.928 6.266 9.349 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.858 8.006 9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.697 7.714 11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.591 5.979 11.696 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.200 6.067 11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.213 7.812 11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.466 7.132 13.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.930 7.985 13.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.916 6.293 13.698 1.00 0.00 H new ATOM 523 N ALA A 82 -7.220 6.085 6.964 1.00 0.00 N ATOM 524 CA ALA A 82 -8.551 5.507 6.825 1.00 0.00 C ATOM 525 C ALA A 82 -8.474 4.040 6.420 1.00 0.00 C ATOM 526 O ALA A 82 -7.762 3.680 5.483 1.00 0.00 O ATOM 527 CB ALA A 82 -9.364 6.294 5.807 1.00 0.00 C ATOM 0 H ALA A 82 -6.849 6.499 6.109 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.047 5.564 7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.356 5.852 5.713 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.458 7.328 6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.861 6.266 4.840 1.00 0.00 H new ATOM 533 N SER A 83 -9.212 3.194 7.133 1.00 0.00 N ATOM 534 CA SER A 83 -9.228 1.765 6.847 1.00 0.00 C ATOM 535 C SER A 83 -9.970 1.479 5.546 1.00 0.00 C ATOM 536 O SER A 83 -9.646 0.531 4.831 1.00 0.00 O ATOM 537 CB SER A 83 -9.882 1.000 7.999 1.00 0.00 C ATOM 538 OG SER A 83 -9.315 1.370 9.245 1.00 0.00 O ATOM 0 H SER A 83 -9.807 3.474 7.913 1.00 0.00 H new ATOM 0 HA SER A 83 -8.196 1.431 6.737 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.954 1.200 8.010 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.759 -0.072 7.844 1.00 0.00 H new ATOM 0 HG SER A 83 -9.751 0.868 9.965 1.00 0.00 H new ATOM 544 N SER A 84 -10.965 2.305 5.244 1.00 0.00 N ATOM 545 CA SER A 84 -11.754 2.142 4.028 1.00 0.00 C ATOM 546 C SER A 84 -12.441 3.448 3.645 1.00 0.00 C ATOM 547 O SER A 84 -13.471 3.810 4.214 1.00 0.00 O ATOM 548 CB SER A 84 -12.798 1.040 4.217 1.00 0.00 C ATOM 549 OG SER A 84 -13.557 1.252 5.396 1.00 0.00 O ATOM 0 H SER A 84 -11.245 3.095 5.825 1.00 0.00 H new ATOM 0 HA SER A 84 -11.078 1.859 3.222 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.462 1.012 3.353 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.302 0.071 4.269 1.00 0.00 H new ATOM 0 HG SER A 84 -13.885 2.175 5.412 1.00 0.00 H new ATOM 555 N VAL A 85 -11.863 4.155 2.678 1.00 0.00 N ATOM 556 CA VAL A 85 -12.420 5.420 2.219 1.00 0.00 C ATOM 557 C VAL A 85 -13.519 5.193 1.187 1.00 0.00 C ATOM 558 O VAL A 85 -13.570 4.146 0.541 1.00 0.00 O ATOM 559 CB VAL A 85 -11.335 6.328 1.604 1.00 0.00 C ATOM 560 CG1 VAL A 85 -11.851 7.750 1.451 1.00 0.00 C ATOM 561 CG2 VAL A 85 -10.069 6.300 2.446 1.00 0.00 C ATOM 0 H VAL A 85 -11.009 3.872 2.198 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.840 5.914 3.095 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.090 5.946 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.071 8.375 1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.724 7.752 0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.128 8.144 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.317 6.947 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.294 6.653 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.687 5.280 2.496 1.00 0.00 H new ATOM 571 N PHE A 86 -14.397 6.181 1.036 1.00 0.00 N ATOM 572 CA PHE A 86 -15.496 6.087 0.082 1.00 0.00 C ATOM 573 C PHE A 86 -15.240 6.975 -1.131 1.00 0.00 C ATOM 574 O PHE A 86 -15.686 8.120 -1.180 1.00 0.00 O ATOM 575 CB PHE A 86 -16.814 6.482 0.751 1.00 0.00 C ATOM 576 CG PHE A 86 -17.979 5.628 0.335 1.00 0.00 C ATOM 577 CD1 PHE A 86 -17.909 4.247 0.426 1.00 0.00 C ATOM 578 CD2 PHE A 86 -19.141 6.205 -0.147 1.00 0.00 C ATOM 579 CE1 PHE A 86 -18.976 3.458 0.044 1.00 0.00 C ATOM 580 CE2 PHE A 86 -20.213 5.423 -0.529 1.00 0.00 C ATOM 581 CZ PHE A 86 -20.131 4.047 -0.433 1.00 0.00 C ATOM 0 H PHE A 86 -14.368 7.055 1.562 1.00 0.00 H new ATOM 0 HA PHE A 86 -15.565 5.053 -0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -16.696 6.419 1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -17.034 7.523 0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -17.009 3.782 0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -19.210 7.280 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -18.908 2.383 0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -21.114 5.886 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 86 -20.968 3.433 -0.730 1.00 0.00 H new ATOM 591 N LEU A 87 -14.516 6.438 -2.109 1.00 0.00 N ATOM 592 CA LEU A 87 -14.200 7.182 -3.322 1.00 0.00 C ATOM 593 C LEU A 87 -15.126 6.778 -4.465 1.00 0.00 C ATOM 594 O LEU A 87 -15.120 5.628 -4.905 1.00 0.00 O ATOM 595 CB LEU A 87 -12.739 6.950 -3.720 1.00 0.00 C ATOM 596 CG LEU A 87 -11.805 8.136 -3.474 1.00 0.00 C ATOM 597 CD1 LEU A 87 -10.364 7.666 -3.371 1.00 0.00 C ATOM 598 CD2 LEU A 87 -11.954 9.170 -4.580 1.00 0.00 C ATOM 0 H LEU A 87 -14.138 5.491 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.349 8.243 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.361 6.089 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.703 6.692 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.082 8.603 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.713 8.523 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.269 6.963 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.074 7.174 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.282 10.007 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.704 8.716 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.983 9.529 -4.606 1.00 0.00 H new ATOM 610 N SER A 88 -15.920 7.730 -4.942 1.00 0.00 N ATOM 611 CA SER A 88 -16.852 7.474 -6.033 1.00 0.00 C ATOM 612 C SER A 88 -17.844 6.377 -5.657 1.00 0.00 C ATOM 613 O SER A 88 -18.296 5.615 -6.511 1.00 0.00 O ATOM 614 CB SER A 88 -16.090 7.076 -7.299 1.00 0.00 C ATOM 615 OG SER A 88 -15.800 8.211 -8.098 1.00 0.00 O ATOM 0 H SER A 88 -15.937 8.687 -4.590 1.00 0.00 H new ATOM 0 HA SER A 88 -17.409 8.391 -6.224 1.00 0.00 H new ATOM 0 HB2 SER A 88 -15.162 6.573 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 88 -16.681 6.364 -7.874 1.00 0.00 H new ATOM 0 HG SER A 88 -15.311 7.930 -8.900 1.00 0.00 H new ATOM 621 N GLY A 89 -18.178 6.305 -4.372 1.00 0.00 N ATOM 622 CA GLY A 89 -19.112 5.299 -3.904 1.00 0.00 C ATOM 623 C GLY A 89 -18.530 3.900 -3.950 1.00 0.00 C ATOM 624 O GLY A 89 -19.264 2.920 -4.077 1.00 0.00 O ATOM 0 H GLY A 89 -17.818 6.926 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -19.409 5.532 -2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -20.014 5.334 -4.514 1.00 0.00 H new ATOM 628 N LEU A 90 -17.209 3.805 -3.843 1.00 0.00 N ATOM 629 CA LEU A 90 -16.529 2.517 -3.872 1.00 0.00 C ATOM 630 C LEU A 90 -15.545 2.396 -2.713 1.00 0.00 C ATOM 631 O LEU A 90 -14.986 3.393 -2.253 1.00 0.00 O ATOM 632 CB LEU A 90 -15.794 2.335 -5.201 1.00 0.00 C ATOM 633 CG LEU A 90 -15.182 0.950 -5.416 1.00 0.00 C ATOM 634 CD1 LEU A 90 -16.198 0.010 -6.045 1.00 0.00 C ATOM 635 CD2 LEU A 90 -13.934 1.046 -6.281 1.00 0.00 C ATOM 0 H LEU A 90 -16.588 4.607 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 90 -17.281 1.734 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -16.490 2.539 -6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -15.001 3.080 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 90 -14.896 0.546 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -15.745 -0.971 -6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -17.063 -0.084 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -16.516 0.409 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -13.512 0.051 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -14.195 1.471 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -13.199 1.685 -5.790 1.00 0.00 H new ATOM 647 N ASN A 91 -15.335 1.170 -2.246 1.00 0.00 N ATOM 648 CA ASN A 91 -14.414 0.919 -1.144 1.00 0.00 C ATOM 649 C ASN A 91 -12.971 0.901 -1.633 1.00 0.00 C ATOM 650 O ASN A 91 -12.586 0.045 -2.429 1.00 0.00 O ATOM 651 CB ASN A 91 -14.751 -0.409 -0.462 1.00 0.00 C ATOM 652 CG ASN A 91 -15.865 -0.271 0.556 1.00 0.00 C ATOM 653 OD1 ASN A 91 -15.666 0.273 1.643 1.00 0.00 O ATOM 654 ND2 ASN A 91 -17.049 -0.763 0.210 1.00 0.00 N ATOM 0 H ASN A 91 -15.790 0.335 -2.614 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.523 1.728 -0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -15.042 -1.139 -1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.859 -0.798 0.030 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.837 -0.698 0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -17.171 -1.206 -0.701 1.00 0.00 H new ATOM 661 N GLN A 92 -12.176 1.853 -1.153 1.00 0.00 N ATOM 662 CA GLN A 92 -10.775 1.947 -1.543 1.00 0.00 C ATOM 663 C GLN A 92 -9.884 2.166 -0.326 1.00 0.00 C ATOM 664 O GLN A 92 -10.352 2.593 0.730 1.00 0.00 O ATOM 665 CB GLN A 92 -10.579 3.084 -2.546 1.00 0.00 C ATOM 666 CG GLN A 92 -10.721 2.650 -3.995 1.00 0.00 C ATOM 667 CD GLN A 92 -10.123 3.650 -4.967 1.00 0.00 C ATOM 668 OE1 GLN A 92 -8.945 3.565 -5.315 1.00 0.00 O ATOM 669 NE2 GLN A 92 -10.932 4.605 -5.406 1.00 0.00 N ATOM 0 H GLN A 92 -12.479 2.570 -0.493 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.491 1.005 -2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.306 3.870 -2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.590 3.518 -2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.235 1.683 -4.130 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.777 2.511 -4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.902 4.637 -5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.585 5.308 -6.059 1.00 0.00 H new ATOM 678 N ARG A 93 -8.596 1.876 -0.482 1.00 0.00 N ATOM 679 CA ARG A 93 -7.637 2.044 0.606 1.00 0.00 C ATOM 680 C ARG A 93 -6.383 2.760 0.117 1.00 0.00 C ATOM 681 O ARG A 93 -6.034 2.691 -1.061 1.00 0.00 O ATOM 682 CB ARG A 93 -7.267 0.683 1.202 1.00 0.00 C ATOM 683 CG ARG A 93 -7.778 0.481 2.619 1.00 0.00 C ATOM 684 CD ARG A 93 -6.730 0.868 3.649 1.00 0.00 C ATOM 685 NE ARG A 93 -5.500 0.094 3.497 1.00 0.00 N ATOM 686 CZ ARG A 93 -4.328 0.456 4.012 1.00 0.00 C ATOM 687 NH1 ARG A 93 -4.221 1.577 4.713 1.00 0.00 N ATOM 688 NH2 ARG A 93 -3.259 -0.308 3.828 1.00 0.00 N ATOM 0 H ARG A 93 -8.192 1.524 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.103 2.655 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.668 -0.105 0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.182 0.576 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.677 1.078 2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.060 -0.562 2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.504 1.930 3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.133 0.716 4.650 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.542 -0.775 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.040 2.167 4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.320 1.849 5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.336 -1.172 3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.360 -0.031 4.223 1.00 0.00 H new ATOM 702 N PHE A 94 -5.709 3.451 1.030 1.00 0.00 N ATOM 703 CA PHE A 94 -4.493 4.182 0.694 1.00 0.00 C ATOM 704 C PHE A 94 -3.289 3.247 0.657 1.00 0.00 C ATOM 705 O PHE A 94 -2.898 2.680 1.677 1.00 0.00 O ATOM 706 CB PHE A 94 -4.252 5.303 1.704 1.00 0.00 C ATOM 707 CG PHE A 94 -3.102 6.200 1.345 1.00 0.00 C ATOM 708 CD1 PHE A 94 -3.188 7.060 0.263 1.00 0.00 C ATOM 709 CD2 PHE A 94 -1.933 6.183 2.091 1.00 0.00 C ATOM 710 CE1 PHE A 94 -2.130 7.885 -0.071 1.00 0.00 C ATOM 711 CE2 PHE A 94 -0.873 7.006 1.764 1.00 0.00 C ATOM 712 CZ PHE A 94 -0.972 7.859 0.682 1.00 0.00 C ATOM 0 H PHE A 94 -5.985 3.520 2.010 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.622 4.617 -0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.157 5.904 1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.067 4.864 2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.092 7.087 -0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.850 5.518 2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.209 8.549 -0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.032 6.983 2.353 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.145 8.505 0.425 1.00 0.00 H new ATOM 722 N CYS A 95 -2.703 3.090 -0.527 1.00 0.00 N ATOM 723 CA CYS A 95 -1.542 2.224 -0.697 1.00 0.00 C ATOM 724 C CYS A 95 -0.249 3.000 -0.472 1.00 0.00 C ATOM 725 O CYS A 95 0.249 3.669 -1.376 1.00 0.00 O ATOM 726 CB CYS A 95 -1.542 1.608 -2.097 1.00 0.00 C ATOM 727 SG CYS A 95 -0.133 0.521 -2.426 1.00 0.00 S ATOM 0 H CYS A 95 -3.014 3.551 -1.382 1.00 0.00 H new ATOM 0 HA CYS A 95 -1.601 1.427 0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.463 1.042 -2.233 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.549 2.410 -2.835 1.00 0.00 H new ATOM 0 HG CYS A 95 -0.439 -0.309 -3.379 1.00 0.00 H new ATOM 732 N GLN A 96 0.289 2.907 0.739 1.00 0.00 N ATOM 733 CA GLN A 96 1.525 3.601 1.081 1.00 0.00 C ATOM 734 C GLN A 96 2.672 3.164 0.173 1.00 0.00 C ATOM 735 O GLN A 96 3.634 3.906 -0.027 1.00 0.00 O ATOM 736 CB GLN A 96 1.891 3.339 2.544 1.00 0.00 C ATOM 737 CG GLN A 96 0.859 3.859 3.532 1.00 0.00 C ATOM 738 CD GLN A 96 0.933 3.157 4.873 1.00 0.00 C ATOM 739 OE1 GLN A 96 1.762 2.272 5.080 1.00 0.00 O ATOM 740 NE2 GLN A 96 0.061 3.552 5.797 1.00 0.00 N ATOM 0 H GLN A 96 -0.111 2.358 1.500 1.00 0.00 H new ATOM 0 HA GLN A 96 1.362 4.669 0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.015 2.266 2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.853 3.804 2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.007 4.929 3.677 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.139 3.729 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.610 4.290 5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.063 3.117 6.720 1.00 0.00 H new ATOM 749 N GLN A 97 2.566 1.955 -0.373 1.00 0.00 N ATOM 750 CA GLN A 97 3.598 1.422 -1.255 1.00 0.00 C ATOM 751 C GLN A 97 3.812 2.329 -2.465 1.00 0.00 C ATOM 752 O GLN A 97 4.944 2.683 -2.793 1.00 0.00 O ATOM 753 CB GLN A 97 3.223 0.011 -1.715 1.00 0.00 C ATOM 754 CG GLN A 97 4.317 -1.015 -1.476 1.00 0.00 C ATOM 755 CD GLN A 97 5.182 -1.241 -2.701 1.00 0.00 C ATOM 756 OE1 GLN A 97 6.394 -1.024 -2.667 1.00 0.00 O ATOM 757 NE2 GLN A 97 4.564 -1.680 -3.791 1.00 0.00 N ATOM 0 H GLN A 97 1.777 1.328 -0.220 1.00 0.00 H new ATOM 0 HA GLN A 97 4.532 1.379 -0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.320 -0.305 -1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.985 0.035 -2.778 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.945 -0.685 -0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.864 -1.960 -1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.558 -1.847 -3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.095 -1.851 -4.645 1.00 0.00 H new ATOM 766 N CYS A 98 2.720 2.701 -3.126 1.00 0.00 N ATOM 767 CA CYS A 98 2.797 3.567 -4.300 1.00 0.00 C ATOM 768 C CYS A 98 2.260 4.965 -3.999 1.00 0.00 C ATOM 769 O CYS A 98 2.301 5.849 -4.854 1.00 0.00 O ATOM 770 CB CYS A 98 2.013 2.958 -5.466 1.00 0.00 C ATOM 771 SG CYS A 98 2.199 1.168 -5.637 1.00 0.00 S ATOM 0 H CYS A 98 1.774 2.418 -2.871 1.00 0.00 H new ATOM 0 HA CYS A 98 3.848 3.653 -4.575 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.956 3.191 -5.338 1.00 0.00 H new ATOM 0 HB3 CYS A 98 2.334 3.435 -6.392 1.00 0.00 H new ATOM 0 HG CYS A 98 1.496 0.753 -6.649 1.00 0.00 H new ATOM 776 N SER A 99 1.748 5.164 -2.786 1.00 0.00 N ATOM 777 CA SER A 99 1.199 6.459 -2.385 1.00 0.00 C ATOM 778 C SER A 99 -0.124 6.756 -3.094 1.00 0.00 C ATOM 779 O SER A 99 -0.755 7.782 -2.835 1.00 0.00 O ATOM 780 CB SER A 99 2.204 7.577 -2.671 1.00 0.00 C ATOM 781 OG SER A 99 1.963 8.706 -1.850 1.00 0.00 O ATOM 0 H SER A 99 1.702 4.446 -2.063 1.00 0.00 H new ATOM 0 HA SER A 99 1.005 6.413 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.217 7.211 -2.502 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.141 7.867 -3.720 1.00 0.00 H new ATOM 0 HG SER A 99 1.002 8.898 -1.831 1.00 0.00 H new ATOM 787 N ARG A 100 -0.547 5.862 -3.988 1.00 0.00 N ATOM 788 CA ARG A 100 -1.794 6.044 -4.722 1.00 0.00 C ATOM 789 C ARG A 100 -2.948 5.340 -4.017 1.00 0.00 C ATOM 790 O ARG A 100 -2.789 4.809 -2.918 1.00 0.00 O ATOM 791 CB ARG A 100 -1.657 5.512 -6.149 1.00 0.00 C ATOM 792 CG ARG A 100 -0.341 5.881 -6.816 1.00 0.00 C ATOM 793 CD ARG A 100 -0.056 4.989 -8.015 1.00 0.00 C ATOM 794 NE ARG A 100 1.364 4.974 -8.363 1.00 0.00 N ATOM 795 CZ ARG A 100 2.002 6.004 -8.913 1.00 0.00 C ATOM 796 NH1 ARG A 100 1.353 7.130 -9.181 1.00 0.00 N ATOM 797 NH2 ARG A 100 3.294 5.906 -9.199 1.00 0.00 N ATOM 0 H ARG A 100 -0.043 5.006 -4.219 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.009 7.112 -4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.754 4.426 -6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.480 5.897 -6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.373 6.923 -7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.471 5.793 -6.094 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.386 3.973 -7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.635 5.336 -8.871 1.00 0.00 H new ATOM 0 HE ARG A 100 1.896 4.125 -8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.359 7.210 -8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.848 7.916 -9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.797 5.042 -8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.784 6.695 -9.621 1.00 0.00 H new ATOM 811 N PHE A 101 -4.112 5.335 -4.662 1.00 0.00 N ATOM 812 CA PHE A 101 -5.296 4.692 -4.102 1.00 0.00 C ATOM 813 C PHE A 101 -5.710 3.493 -4.948 1.00 0.00 C ATOM 814 O PHE A 101 -5.955 3.623 -6.148 1.00 0.00 O ATOM 815 CB PHE A 101 -6.449 5.693 -4.012 1.00 0.00 C ATOM 816 CG PHE A 101 -6.584 6.333 -2.659 1.00 0.00 C ATOM 817 CD1 PHE A 101 -7.248 5.682 -1.633 1.00 0.00 C ATOM 818 CD2 PHE A 101 -6.046 7.586 -2.416 1.00 0.00 C ATOM 819 CE1 PHE A 101 -7.374 6.269 -0.389 1.00 0.00 C ATOM 820 CE2 PHE A 101 -6.169 8.179 -1.174 1.00 0.00 C ATOM 821 CZ PHE A 101 -6.833 7.519 -0.158 1.00 0.00 C ATOM 0 H PHE A 101 -4.260 5.769 -5.573 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.052 4.340 -3.100 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -6.303 6.472 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.381 5.185 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -7.672 4.704 -1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.524 8.105 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.895 5.751 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.747 9.157 -0.998 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.929 7.979 0.814 1.00 0.00 H new ATOM 831 N HIS A 102 -5.786 2.327 -4.317 1.00 0.00 N ATOM 832 CA HIS A 102 -6.171 1.103 -5.013 1.00 0.00 C ATOM 833 C HIS A 102 -7.443 0.511 -4.416 1.00 0.00 C ATOM 834 O HIS A 102 -7.840 0.861 -3.305 1.00 0.00 O ATOM 835 CB HIS A 102 -5.034 0.081 -4.952 1.00 0.00 C ATOM 836 CG HIS A 102 -3.717 0.627 -5.408 1.00 0.00 C ATOM 837 ND1 HIS A 102 -3.604 1.648 -6.329 1.00 0.00 N ATOM 838 CD2 HIS A 102 -2.449 0.294 -5.063 1.00 0.00 C ATOM 839 CE1 HIS A 102 -2.327 1.920 -6.530 1.00 0.00 C ATOM 840 NE2 HIS A 102 -1.606 1.112 -5.774 1.00 0.00 N ATOM 0 H HIS A 102 -5.586 2.202 -3.325 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.369 1.353 -6.055 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -4.934 -0.279 -3.928 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.295 -0.779 -5.569 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.385 2.120 -6.784 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -2.156 -0.472 -4.360 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -1.939 2.674 -7.198 1.00 0.00 H new ATOM 848 N ASP A 103 -8.079 -0.386 -5.164 1.00 0.00 N ATOM 849 CA ASP A 103 -9.309 -1.027 -4.713 1.00 0.00 C ATOM 850 C ASP A 103 -9.096 -1.750 -3.386 1.00 0.00 C ATOM 851 O ASP A 103 -7.962 -2.018 -2.988 1.00 0.00 O ATOM 852 CB ASP A 103 -9.810 -2.014 -5.768 1.00 0.00 C ATOM 853 CG ASP A 103 -11.243 -2.444 -5.523 1.00 0.00 C ATOM 854 OD1 ASP A 103 -12.163 -1.689 -5.906 1.00 0.00 O ATOM 855 OD2 ASP A 103 -11.447 -3.534 -4.949 1.00 0.00 O ATOM 0 H ASP A 103 -7.762 -0.685 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.058 -0.250 -4.565 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.734 -1.557 -6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.166 -2.893 -5.774 1.00 0.00 H new ATOM 860 N LEU A 104 -10.194 -2.063 -2.706 1.00 0.00 N ATOM 861 CA LEU A 104 -10.132 -2.756 -1.425 1.00 0.00 C ATOM 862 C LEU A 104 -9.815 -4.236 -1.621 1.00 0.00 C ATOM 863 O LEU A 104 -9.219 -4.873 -0.753 1.00 0.00 O ATOM 864 CB LEU A 104 -11.455 -2.601 -0.673 1.00 0.00 C ATOM 865 CG LEU A 104 -11.442 -3.100 0.772 1.00 0.00 C ATOM 866 CD1 LEU A 104 -10.958 -2.005 1.711 1.00 0.00 C ATOM 867 CD2 LEU A 104 -12.826 -3.581 1.180 1.00 0.00 C ATOM 0 H LEU A 104 -11.139 -1.847 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.332 -2.307 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -11.735 -1.548 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.231 -3.138 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.751 -3.940 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.956 -2.379 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.948 -1.706 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.624 -1.145 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.800 -3.933 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -13.537 -2.759 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -13.135 -4.397 0.526 1.00 0.00 H new ATOM 879 N GLN A 105 -10.215 -4.777 -2.769 1.00 0.00 N ATOM 880 CA GLN A 105 -9.973 -6.181 -3.079 1.00 0.00 C ATOM 881 C GLN A 105 -8.479 -6.503 -3.042 1.00 0.00 C ATOM 882 O GLN A 105 -8.090 -7.660 -2.888 1.00 0.00 O ATOM 883 CB GLN A 105 -10.548 -6.527 -4.455 1.00 0.00 C ATOM 884 CG GLN A 105 -11.945 -7.125 -4.396 1.00 0.00 C ATOM 885 CD GLN A 105 -12.091 -8.354 -5.273 1.00 0.00 C ATOM 886 OE1 GLN A 105 -12.509 -9.414 -4.810 1.00 0.00 O ATOM 887 NE2 GLN A 105 -11.746 -8.215 -6.547 1.00 0.00 N ATOM 0 H GLN A 105 -10.708 -4.263 -3.499 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.472 -6.784 -2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -10.573 -5.625 -5.067 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.881 -7.231 -4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -12.180 -7.389 -3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -12.671 -6.374 -4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.404 -7.316 -6.888 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.823 -9.007 -7.185 1.00 0.00 H new ATOM 896 N GLU A 106 -7.648 -5.474 -3.186 1.00 0.00 N ATOM 897 CA GLU A 106 -6.201 -5.654 -3.168 1.00 0.00 C ATOM 898 C GLU A 106 -5.685 -5.779 -1.738 1.00 0.00 C ATOM 899 O GLU A 106 -4.661 -6.416 -1.491 1.00 0.00 O ATOM 900 CB GLU A 106 -5.515 -4.479 -3.868 1.00 0.00 C ATOM 901 CG GLU A 106 -6.158 -4.099 -5.192 1.00 0.00 C ATOM 902 CD GLU A 106 -5.139 -3.709 -6.245 1.00 0.00 C ATOM 903 OE1 GLU A 106 -4.327 -2.798 -5.977 1.00 0.00 O ATOM 904 OE2 GLU A 106 -5.154 -4.313 -7.338 1.00 0.00 O ATOM 0 H GLU A 106 -7.952 -4.509 -3.316 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.967 -6.576 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.529 -3.614 -3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.469 -4.731 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.750 -4.938 -5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.846 -3.269 -5.032 1.00 0.00 H new ATOM 911 N PHE A 107 -6.402 -5.169 -0.798 1.00 0.00 N ATOM 912 CA PHE A 107 -6.016 -5.215 0.608 1.00 0.00 C ATOM 913 C PHE A 107 -6.887 -6.204 1.378 1.00 0.00 C ATOM 914 O PHE A 107 -7.336 -5.918 2.488 1.00 0.00 O ATOM 915 CB PHE A 107 -6.125 -3.823 1.233 1.00 0.00 C ATOM 916 CG PHE A 107 -5.139 -2.836 0.674 1.00 0.00 C ATOM 917 CD1 PHE A 107 -3.779 -3.008 0.875 1.00 0.00 C ATOM 918 CD2 PHE A 107 -5.572 -1.738 -0.050 1.00 0.00 C ATOM 919 CE1 PHE A 107 -2.869 -2.101 0.363 1.00 0.00 C ATOM 920 CE2 PHE A 107 -4.668 -0.828 -0.564 1.00 0.00 C ATOM 921 CZ PHE A 107 -3.314 -1.011 -0.358 1.00 0.00 C ATOM 0 H PHE A 107 -7.252 -4.638 -0.985 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.980 -5.550 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -7.135 -3.442 1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.975 -3.904 2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.426 -3.860 1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.629 -1.591 -0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.811 -2.245 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -5.019 0.025 -1.126 1.00 0.00 H new ATOM 0 HZ PHE A 107 -2.605 -0.303 -0.760 1.00 0.00 H new ATOM 931 N ASP A 108 -7.122 -7.368 0.780 1.00 0.00 N ATOM 932 CA ASP A 108 -7.937 -8.400 1.410 1.00 0.00 C ATOM 933 C ASP A 108 -7.216 -9.745 1.396 1.00 0.00 C ATOM 934 O ASP A 108 -7.839 -10.793 1.234 1.00 0.00 O ATOM 935 CB ASP A 108 -9.284 -8.523 0.694 1.00 0.00 C ATOM 936 CG ASP A 108 -10.429 -8.772 1.655 1.00 0.00 C ATOM 937 OD1 ASP A 108 -10.218 -9.486 2.658 1.00 0.00 O ATOM 938 OD2 ASP A 108 -11.537 -8.251 1.406 1.00 0.00 O ATOM 0 H ASP A 108 -6.760 -7.620 -0.140 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.109 -8.110 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.478 -7.610 0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.235 -9.338 -0.028 1.00 0.00 H new ATOM 943 N GLU A 109 -5.899 -9.702 1.566 1.00 0.00 N ATOM 944 CA GLU A 109 -5.087 -10.913 1.572 1.00 0.00 C ATOM 945 C GLU A 109 -3.915 -10.768 2.542 1.00 0.00 C ATOM 946 O GLU A 109 -3.965 -9.960 3.469 1.00 0.00 O ATOM 947 CB GLU A 109 -4.580 -11.211 0.158 1.00 0.00 C ATOM 948 CG GLU A 109 -4.767 -12.659 -0.264 1.00 0.00 C ATOM 949 CD GLU A 109 -5.229 -12.793 -1.702 1.00 0.00 C ATOM 950 OE1 GLU A 109 -6.433 -12.580 -1.959 1.00 0.00 O ATOM 951 OE2 GLU A 109 -4.388 -13.110 -2.569 1.00 0.00 O ATOM 0 H GLU A 109 -5.371 -8.840 1.702 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.704 -11.747 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.101 -10.565 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.521 -10.958 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.826 -13.195 -0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.495 -13.134 0.393 1.00 0.00 H new ATOM 958 N ALA A 110 -2.861 -11.552 2.327 1.00 0.00 N ATOM 959 CA ALA A 110 -1.683 -11.500 3.187 1.00 0.00 C ATOM 960 C ALA A 110 -0.655 -10.502 2.657 1.00 0.00 C ATOM 961 O ALA A 110 0.549 -10.744 2.720 1.00 0.00 O ATOM 962 CB ALA A 110 -1.061 -12.883 3.314 1.00 0.00 C ATOM 0 H ALA A 110 -2.799 -12.229 1.566 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.001 -11.163 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -0.183 -12.829 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.788 -13.570 3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.766 -13.241 2.328 1.00 0.00 H new ATOM 968 N LYS A 111 -1.141 -9.379 2.135 1.00 0.00 N ATOM 969 CA LYS A 111 -0.270 -8.343 1.596 1.00 0.00 C ATOM 970 C LYS A 111 -0.919 -6.971 1.726 1.00 0.00 C ATOM 971 O LYS A 111 -1.597 -6.505 0.810 1.00 0.00 O ATOM 972 CB LYS A 111 0.051 -8.629 0.127 1.00 0.00 C ATOM 973 CG LYS A 111 0.952 -9.837 -0.077 1.00 0.00 C ATOM 974 CD LYS A 111 1.045 -10.218 -1.545 1.00 0.00 C ATOM 975 CE LYS A 111 1.555 -11.640 -1.720 1.00 0.00 C ATOM 976 NZ LYS A 111 1.175 -12.210 -3.043 1.00 0.00 N ATOM 0 H LYS A 111 -2.136 -9.165 2.075 1.00 0.00 H new ATOM 0 HA LYS A 111 0.657 -8.346 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.881 -8.786 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.530 -7.752 -0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.948 -9.619 0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.567 -10.681 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.064 -10.122 -2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.711 -9.526 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.640 -11.651 -1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.154 -12.269 -0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.542 -13.180 -3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 0.139 -12.224 -3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.579 -11.625 -3.802 1.00 0.00 H new ATOM 990 N ARG A 112 -0.714 -6.329 2.871 1.00 0.00 N ATOM 991 CA ARG A 112 -1.286 -5.012 3.122 1.00 0.00 C ATOM 992 C ARG A 112 -0.377 -3.908 2.581 1.00 0.00 C ATOM 993 O ARG A 112 0.010 -2.993 3.308 1.00 0.00 O ATOM 994 CB ARG A 112 -1.527 -4.819 4.622 1.00 0.00 C ATOM 995 CG ARG A 112 -2.987 -4.583 4.976 1.00 0.00 C ATOM 996 CD ARG A 112 -3.356 -5.248 6.292 1.00 0.00 C ATOM 997 NE ARG A 112 -4.346 -4.475 7.039 1.00 0.00 N ATOM 998 CZ ARG A 112 -4.577 -4.625 8.340 1.00 0.00 C ATOM 999 NH1 ARG A 112 -3.894 -5.521 9.043 1.00 0.00 N ATOM 1000 NH2 ARG A 112 -5.493 -3.879 8.942 1.00 0.00 N ATOM 0 H ARG A 112 -0.156 -6.700 3.640 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.241 -4.948 2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.170 -5.700 5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.935 -3.973 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -3.178 -3.512 5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.623 -4.971 4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.748 -6.246 6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.459 -5.372 6.899 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.893 -3.779 6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.188 -6.098 8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -4.075 -5.632 10.041 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -6.021 -3.189 8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -5.670 -3.995 9.940 1.00 0.00 H new ATOM 1014 N SER A 113 -0.043 -3.999 1.297 1.00 0.00 N ATOM 1015 CA SER A 113 0.816 -3.008 0.657 1.00 0.00 C ATOM 1016 C SER A 113 1.047 -3.354 -0.812 1.00 0.00 C ATOM 1017 O SER A 113 2.186 -3.447 -1.267 1.00 0.00 O ATOM 1018 CB SER A 113 2.158 -2.912 1.387 1.00 0.00 C ATOM 1019 OG SER A 113 2.100 -1.963 2.437 1.00 0.00 O ATOM 0 H SER A 113 -0.354 -4.749 0.679 1.00 0.00 H new ATOM 0 HA SER A 113 0.313 -2.043 0.710 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.427 -3.888 1.790 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.940 -2.631 0.682 1.00 0.00 H new ATOM 0 HG SER A 113 1.502 -2.290 3.141 1.00 0.00 H new ATOM 1025 N CYS A 114 -0.044 -3.540 -1.549 1.00 0.00 N ATOM 1026 CA CYS A 114 0.040 -3.872 -2.968 1.00 0.00 C ATOM 1027 C CYS A 114 0.710 -5.227 -3.173 1.00 0.00 C ATOM 1028 O CYS A 114 1.012 -5.933 -2.212 1.00 0.00 O ATOM 1029 CB CYS A 114 0.815 -2.786 -3.718 1.00 0.00 C ATOM 1030 SG CYS A 114 0.028 -2.236 -5.249 1.00 0.00 S ATOM 0 H CYS A 114 -0.995 -3.467 -1.188 1.00 0.00 H new ATOM 0 HA CYS A 114 -0.974 -3.928 -3.365 1.00 0.00 H new ATOM 0 HB2 CYS A 114 0.943 -1.927 -3.060 1.00 0.00 H new ATOM 0 HB3 CYS A 114 1.812 -3.161 -3.950 1.00 0.00 H new ATOM 0 HG CYS A 114 0.759 -1.317 -5.807 1.00 0.00 H new ATOM 1035 N ARG A 115 0.940 -5.582 -4.433 1.00 0.00 N ATOM 1036 CA ARG A 115 1.575 -6.852 -4.766 1.00 0.00 C ATOM 1037 C ARG A 115 2.998 -6.631 -5.269 1.00 0.00 C ATOM 1038 O ARG A 115 3.887 -7.447 -5.025 1.00 0.00 O ATOM 1039 CB ARG A 115 0.758 -7.595 -5.824 1.00 0.00 C ATOM 1040 CG ARG A 115 -0.343 -8.466 -5.240 1.00 0.00 C ATOM 1041 CD ARG A 115 -1.718 -8.024 -5.710 1.00 0.00 C ATOM 1042 NE ARG A 115 -2.709 -9.089 -5.586 1.00 0.00 N ATOM 1043 CZ ARG A 115 -2.808 -10.112 -6.433 1.00 0.00 C ATOM 1044 NH1 ARG A 115 -1.980 -10.210 -7.465 1.00 0.00 N ATOM 1045 NH2 ARG A 115 -3.737 -11.040 -6.246 1.00 0.00 N ATOM 0 H ARG A 115 0.696 -5.008 -5.240 1.00 0.00 H new ATOM 0 HA ARG A 115 1.617 -7.457 -3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.313 -6.869 -6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 115 1.427 -8.218 -6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.177 -9.504 -5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.300 -8.426 -4.152 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.040 -7.161 -5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.659 -7.703 -6.750 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.364 -9.047 -4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.263 -9.500 -7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.060 -10.996 -8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.375 -10.970 -5.454 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.813 -11.824 -6.895 1.00 0.00 H new ATOM 1059 N ARG A 116 3.204 -5.523 -5.971 1.00 0.00 N ATOM 1060 CA ARG A 116 4.515 -5.189 -6.509 1.00 0.00 C ATOM 1061 C ARG A 116 5.542 -5.061 -5.392 1.00 0.00 C ATOM 1062 O ARG A 116 5.313 -4.371 -4.399 1.00 0.00 O ATOM 1063 CB ARG A 116 4.447 -3.887 -7.309 1.00 0.00 C ATOM 1064 CG ARG A 116 5.539 -3.758 -8.357 1.00 0.00 C ATOM 1065 CD ARG A 116 5.332 -2.529 -9.228 1.00 0.00 C ATOM 1066 NE ARG A 116 4.412 -2.788 -10.332 1.00 0.00 N ATOM 1067 CZ ARG A 116 3.853 -1.833 -11.071 1.00 0.00 C ATOM 1068 NH1 ARG A 116 4.118 -0.553 -10.828 1.00 0.00 N ATOM 1069 NH2 ARG A 116 3.026 -2.155 -12.056 1.00 0.00 N ATOM 0 H ARG A 116 2.477 -4.839 -6.181 1.00 0.00 H new ATOM 0 HA ARG A 116 4.824 -5.996 -7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 116 3.476 -3.822 -7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 116 4.514 -3.044 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 116 6.511 -3.698 -7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 116 5.552 -4.651 -8.982 1.00 0.00 H new ATOM 0 HD2 ARG A 116 4.945 -1.713 -8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 116 6.292 -2.201 -9.626 1.00 0.00 H new ATOM 0 HE ARG A 116 4.184 -3.758 -10.550 1.00 0.00 H new ATOM 0 HH11 ARG A 116 4.753 -0.298 -10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 116 3.686 0.174 -11.398 1.00 0.00 H new ATOM 0 HH21 ARG A 116 2.818 -3.135 -12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 116 2.598 -1.423 -12.622 1.00 0.00 H new ATOM 1083 N ARG A 117 6.675 -5.734 -5.567 1.00 0.00 N ATOM 1084 CA ARG A 117 7.759 -5.710 -4.584 1.00 0.00 C ATOM 1085 C ARG A 117 7.358 -6.428 -3.300 1.00 0.00 C ATOM 1086 O ARG A 117 7.960 -7.437 -2.927 1.00 0.00 O ATOM 1087 CB ARG A 117 8.178 -4.270 -4.274 1.00 0.00 C ATOM 1088 CG ARG A 117 9.075 -3.657 -5.335 1.00 0.00 C ATOM 1089 CD ARG A 117 10.548 -3.849 -5.004 1.00 0.00 C ATOM 1090 NE ARG A 117 11.185 -2.599 -4.597 1.00 0.00 N ATOM 1091 CZ ARG A 117 12.472 -2.494 -4.275 1.00 0.00 C ATOM 1092 NH1 ARG A 117 13.262 -3.562 -4.312 1.00 0.00 N ATOM 1093 NH2 ARG A 117 12.971 -1.321 -3.915 1.00 0.00 N ATOM 0 H ARG A 117 6.869 -6.308 -6.387 1.00 0.00 H new ATOM 0 HA ARG A 117 8.609 -6.237 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.284 -3.655 -4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.696 -4.249 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.857 -4.110 -6.302 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.858 -2.593 -5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.647 -4.583 -4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 117 11.065 -4.253 -5.874 1.00 0.00 H new ATOM 0 HE ARG A 117 10.610 -1.758 -4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.883 -4.468 -4.588 1.00 0.00 H new ATOM 0 HH12 ARG A 117 14.248 -3.476 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 117 12.369 -0.498 -3.885 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.957 -1.240 -3.668 1.00 0.00 H new ATOM 1107 N LEU A 118 6.344 -5.902 -2.626 1.00 0.00 N ATOM 1108 CA LEU A 118 5.860 -6.486 -1.375 1.00 0.00 C ATOM 1109 C LEU A 118 5.695 -8.001 -1.499 1.00 0.00 C ATOM 1110 O LEU A 118 6.076 -8.750 -0.600 1.00 0.00 O ATOM 1111 CB LEU A 118 4.528 -5.850 -0.974 1.00 0.00 C ATOM 1112 CG LEU A 118 4.320 -5.682 0.531 1.00 0.00 C ATOM 1113 CD1 LEU A 118 4.390 -7.030 1.233 1.00 0.00 C ATOM 1114 CD2 LEU A 118 5.352 -4.724 1.108 1.00 0.00 C ATOM 0 H LEU A 118 5.837 -5.069 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 118 6.602 -6.285 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.453 -4.871 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.717 -6.460 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 118 3.329 -5.260 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.240 -6.891 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.613 -7.686 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.367 -7.480 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 118 5.189 -4.616 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.353 -5.118 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.254 -3.751 0.627 1.00 0.00 H new ATOM 1126 N ALA A 119 5.124 -8.443 -2.616 1.00 0.00 N ATOM 1127 CA ALA A 119 4.913 -9.864 -2.851 1.00 0.00 C ATOM 1128 C ALA A 119 6.230 -10.575 -3.137 1.00 0.00 C ATOM 1129 O ALA A 119 6.887 -10.305 -4.142 1.00 0.00 O ATOM 1130 CB ALA A 119 3.939 -10.071 -4.001 1.00 0.00 C ATOM 0 H ALA A 119 4.800 -7.837 -3.370 1.00 0.00 H new ATOM 0 HA ALA A 119 4.486 -10.296 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.791 -11.138 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 119 2.984 -9.606 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.343 -9.617 -4.906 1.00 0.00 H new