USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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 19 GLN : amide:sc= 1.17 K(o=2.2,f=0) USER MOD Set 1.2: A 23 GLN : amide:sc= 1.04 K(o=2.2,f=-0.87) USER MOD Set 2.1: A 11 THR OG1 : rot 44:sc= 0.66 USER MOD Set 2.2: A 16 LYS NZ :NH3+ -168:sc= 0.695 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 140:sc= -0.364 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0473 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 24 SER OG : rot 84:sc= 1.31 USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0239) USER MOD Single : A 28 THR OG1 : rot -75:sc= 0.682 USER MOD Single : A 29 GLN : amide:sc= 1.2 K(o=1.2,f=-0.62) USER MOD Single : A 30 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.324) USER MOD Single : A 34 THR OG1 : rot 81:sc= 0.00694 USER MOD Single : A 35 LYS NZ :NH3+ 139:sc= -0.0182 (180deg=-0.354) USER MOD Single : A 37 ASN : amide:sc= 1.14 K(o=1.1,f=-0.058) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 1.01 K(o=1,f=-0.14) USER MOD Single : A 46 TYR OH : rot 166:sc= 0.0274 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 54 ASN : amide:sc= 0.104 K(o=0.1,f=-6.3!) USER MOD Single : A 55 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.5!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.153) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.759 -21.369 -6.309 1.00 0.00 N ATOM 2 CA GLY A 1 4.018 -20.106 -6.337 1.00 0.00 C ATOM 3 C GLY A 1 2.676 -20.203 -5.637 1.00 0.00 C ATOM 4 O GLY A 1 1.888 -21.103 -5.931 1.00 0.00 O ATOM 0 H1 GLY A 1 5.668 -21.249 -6.800 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.933 -21.648 -5.322 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.203 -22.108 -6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.616 -19.327 -5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.863 -19.803 -7.372 1.00 0.00 H new ATOM 8 N SER A 2 2.388 -19.254 -4.744 1.00 0.00 N ATOM 9 CA SER A 2 1.117 -19.119 -4.040 1.00 0.00 C ATOM 10 C SER A 2 0.751 -17.635 -3.903 1.00 0.00 C ATOM 11 O SER A 2 1.569 -16.748 -4.178 1.00 0.00 O ATOM 12 CB SER A 2 1.218 -19.809 -2.667 1.00 0.00 C ATOM 13 OG SER A 2 1.267 -21.215 -2.823 1.00 0.00 O ATOM 0 H SER A 2 3.061 -18.533 -4.484 1.00 0.00 H new ATOM 0 HA SER A 2 0.323 -19.604 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.110 -19.464 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.361 -19.535 -2.051 1.00 0.00 H new ATOM 0 HG SER A 2 1.333 -21.640 -1.942 1.00 0.00 H new ATOM 19 N SER A 3 -0.482 -17.376 -3.453 1.00 0.00 N ATOM 20 CA SER A 3 -1.090 -16.062 -3.280 1.00 0.00 C ATOM 21 C SER A 3 -0.865 -15.139 -4.481 1.00 0.00 C ATOM 22 O SER A 3 -0.141 -14.148 -4.385 1.00 0.00 O ATOM 23 CB SER A 3 -0.622 -15.446 -1.957 1.00 0.00 C ATOM 24 OG SER A 3 -1.132 -16.198 -0.868 1.00 0.00 O ATOM 0 H SER A 3 -1.117 -18.128 -3.185 1.00 0.00 H new ATOM 0 HA SER A 3 -2.171 -16.191 -3.231 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.467 -15.428 -1.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.961 -14.412 -1.887 1.00 0.00 H new ATOM 0 HG SER A 3 -0.443 -16.279 -0.175 1.00 0.00 H new ATOM 30 N GLY A 4 -1.500 -15.438 -5.612 1.00 0.00 N ATOM 31 CA GLY A 4 -1.491 -14.549 -6.757 1.00 0.00 C ATOM 32 C GLY A 4 -2.609 -14.897 -7.724 1.00 0.00 C ATOM 33 O GLY A 4 -3.291 -15.920 -7.582 1.00 0.00 O ATOM 0 H GLY A 4 -2.030 -16.298 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.603 -13.518 -6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.530 -14.616 -7.267 1.00 0.00 H new ATOM 37 N SER A 5 -2.794 -14.025 -8.704 1.00 0.00 N ATOM 38 CA SER A 5 -3.771 -14.145 -9.770 1.00 0.00 C ATOM 39 C SER A 5 -3.424 -13.148 -10.870 1.00 0.00 C ATOM 40 O SER A 5 -2.710 -12.166 -10.632 1.00 0.00 O ATOM 41 CB SER A 5 -5.198 -13.922 -9.226 1.00 0.00 C ATOM 42 OG SER A 5 -5.256 -13.030 -8.120 1.00 0.00 O ATOM 0 H SER A 5 -2.238 -13.173 -8.779 1.00 0.00 H new ATOM 0 HA SER A 5 -3.744 -15.151 -10.188 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.826 -13.534 -10.028 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.618 -14.883 -8.929 1.00 0.00 H new ATOM 0 HG SER A 5 -6.186 -12.932 -7.827 1.00 0.00 H new ATOM 48 N SER A 6 -3.935 -13.392 -12.073 1.00 0.00 N ATOM 49 CA SER A 6 -3.994 -12.397 -13.129 1.00 0.00 C ATOM 50 C SER A 6 -5.090 -11.370 -12.807 1.00 0.00 C ATOM 51 O SER A 6 -5.979 -11.636 -11.992 1.00 0.00 O ATOM 52 CB SER A 6 -4.217 -13.099 -14.477 1.00 0.00 C ATOM 53 OG SER A 6 -5.107 -14.210 -14.408 1.00 0.00 O ATOM 0 H SER A 6 -4.323 -14.297 -12.341 1.00 0.00 H new ATOM 0 HA SER A 6 -3.053 -11.852 -13.197 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.609 -12.376 -15.192 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.256 -13.439 -14.862 1.00 0.00 H new ATOM 0 HG SER A 6 -5.204 -14.607 -15.299 1.00 0.00 H new ATOM 59 N GLY A 7 -5.042 -10.196 -13.443 1.00 0.00 N ATOM 60 CA GLY A 7 -6.138 -9.241 -13.364 1.00 0.00 C ATOM 61 C GLY A 7 -7.319 -9.763 -14.182 1.00 0.00 C ATOM 62 O GLY A 7 -7.120 -10.459 -15.185 1.00 0.00 O ATOM 0 H GLY A 7 -4.256 -9.890 -14.016 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.435 -9.096 -12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.818 -8.270 -13.743 1.00 0.00 H new ATOM 66 N ASP A 8 -8.537 -9.364 -13.827 1.00 0.00 N ATOM 67 CA ASP A 8 -9.747 -9.657 -14.586 1.00 0.00 C ATOM 68 C ASP A 8 -10.617 -8.408 -14.641 1.00 0.00 C ATOM 69 O ASP A 8 -10.729 -7.685 -13.646 1.00 0.00 O ATOM 70 CB ASP A 8 -10.523 -10.819 -13.953 1.00 0.00 C ATOM 71 CG ASP A 8 -11.710 -11.189 -14.836 1.00 0.00 C ATOM 72 OD1 ASP A 8 -11.491 -11.847 -15.880 1.00 0.00 O ATOM 73 OD2 ASP A 8 -12.849 -10.751 -14.574 1.00 0.00 O ATOM 0 H ASP A 8 -8.713 -8.816 -12.985 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.468 -9.954 -15.597 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.868 -11.681 -13.829 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.871 -10.537 -12.959 1.00 0.00 H new ATOM 78 N ARG A 9 -11.257 -8.177 -15.792 1.00 0.00 N ATOM 79 CA ARG A 9 -12.036 -6.978 -16.087 1.00 0.00 C ATOM 80 C ARG A 9 -11.177 -5.718 -15.922 1.00 0.00 C ATOM 81 O ARG A 9 -9.948 -5.774 -15.962 1.00 0.00 O ATOM 82 CB ARG A 9 -13.364 -6.994 -15.302 1.00 0.00 C ATOM 83 CG ARG A 9 -14.494 -6.337 -16.111 1.00 0.00 C ATOM 84 CD ARG A 9 -15.868 -6.662 -15.534 1.00 0.00 C ATOM 85 NE ARG A 9 -16.191 -5.862 -14.342 1.00 0.00 N ATOM 86 CZ ARG A 9 -16.648 -4.604 -14.342 1.00 0.00 C ATOM 87 NH1 ARG A 9 -16.722 -3.904 -15.471 1.00 0.00 N ATOM 88 NH2 ARG A 9 -17.038 -4.044 -13.208 1.00 0.00 N ATOM 0 H ARG A 9 -11.244 -8.842 -16.565 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.334 -6.965 -17.135 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.635 -8.022 -15.061 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.237 -6.468 -14.356 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.351 -5.256 -16.123 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.445 -6.676 -17.146 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.627 -6.491 -16.297 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.908 -7.721 -15.277 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.054 -6.306 -13.434 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.428 -4.325 -16.352 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.072 -2.946 -15.455 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.990 -4.571 -12.336 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.387 -3.085 -13.206 1.00 0.00 H new ATOM 102 N VAL A 10 -11.820 -4.556 -15.866 1.00 0.00 N ATOM 103 CA VAL A 10 -11.144 -3.272 -15.837 1.00 0.00 C ATOM 104 C VAL A 10 -10.637 -3.044 -14.415 1.00 0.00 C ATOM 105 O VAL A 10 -11.425 -3.029 -13.467 1.00 0.00 O ATOM 106 CB VAL A 10 -12.062 -2.168 -16.408 1.00 0.00 C ATOM 107 CG1 VAL A 10 -12.450 -2.551 -17.846 1.00 0.00 C ATOM 108 CG2 VAL A 10 -13.353 -1.920 -15.610 1.00 0.00 C ATOM 0 H VAL A 10 -12.837 -4.483 -15.839 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.270 -3.247 -16.488 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.488 -1.243 -16.354 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.099 -1.782 -18.265 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.550 -2.638 -18.455 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.977 -3.505 -17.839 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.930 -1.129 -16.088 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.945 -2.835 -15.582 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.100 -1.621 -14.593 1.00 0.00 H new ATOM 118 N THR A 11 -9.322 -2.961 -14.240 1.00 0.00 N ATOM 119 CA THR A 11 -8.703 -2.786 -12.937 1.00 0.00 C ATOM 120 C THR A 11 -8.962 -1.357 -12.433 1.00 0.00 C ATOM 121 O THR A 11 -8.412 -0.400 -12.985 1.00 0.00 O ATOM 122 CB THR A 11 -7.215 -3.177 -13.038 1.00 0.00 C ATOM 123 OG1 THR A 11 -6.590 -2.738 -14.241 1.00 0.00 O ATOM 124 CG2 THR A 11 -7.088 -4.707 -13.040 1.00 0.00 C ATOM 0 H THR A 11 -8.653 -3.014 -15.008 1.00 0.00 H new ATOM 0 HA THR A 11 -9.142 -3.443 -12.186 1.00 0.00 H new ATOM 0 HB THR A 11 -6.730 -2.702 -12.185 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.854 -1.813 -14.428 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.036 -4.985 -13.111 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.507 -5.108 -12.117 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.630 -5.116 -13.893 1.00 0.00 H new ATOM 132 N LEU A 12 -9.835 -1.213 -11.427 1.00 0.00 N ATOM 133 CA LEU A 12 -10.187 0.069 -10.813 1.00 0.00 C ATOM 134 C LEU A 12 -8.930 0.764 -10.306 1.00 0.00 C ATOM 135 O LEU A 12 -7.984 0.096 -9.906 1.00 0.00 O ATOM 136 CB LEU A 12 -11.118 -0.130 -9.596 1.00 0.00 C ATOM 137 CG LEU A 12 -12.589 -0.493 -9.850 1.00 0.00 C ATOM 138 CD1 LEU A 12 -13.258 0.485 -10.821 1.00 0.00 C ATOM 139 CD2 LEU A 12 -12.749 -1.945 -10.300 1.00 0.00 C ATOM 0 H LEU A 12 -10.326 -2.004 -11.010 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.690 0.664 -11.575 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.686 -0.913 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.100 0.789 -9.011 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.109 -0.399 -8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.297 0.193 -10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.222 1.492 -10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.732 0.467 -11.776 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.804 -2.160 -10.468 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.195 -2.102 -11.225 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.362 -2.610 -9.528 1.00 0.00 H new ATOM 151 N GLU A 13 -8.976 2.092 -10.197 1.00 0.00 N ATOM 152 CA GLU A 13 -7.906 2.942 -9.676 1.00 0.00 C ATOM 153 C GLU A 13 -7.289 2.366 -8.399 1.00 0.00 C ATOM 154 O GLU A 13 -6.088 2.101 -8.370 1.00 0.00 O ATOM 155 CB GLU A 13 -8.464 4.356 -9.452 1.00 0.00 C ATOM 156 CG GLU A 13 -8.349 5.230 -10.705 1.00 0.00 C ATOM 157 CD GLU A 13 -9.409 6.329 -10.705 1.00 0.00 C ATOM 158 OE1 GLU A 13 -10.580 5.986 -10.998 1.00 0.00 O ATOM 159 OE2 GLU A 13 -9.100 7.527 -10.486 1.00 0.00 O ATOM 0 H GLU A 13 -9.796 2.628 -10.482 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.097 2.986 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.510 4.289 -9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.928 4.830 -8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.356 5.678 -10.751 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.461 4.612 -11.596 1.00 0.00 H new ATOM 166 N VAL A 14 -8.100 2.147 -7.358 1.00 0.00 N ATOM 167 CA VAL A 14 -7.626 1.627 -6.077 1.00 0.00 C ATOM 168 C VAL A 14 -6.949 0.270 -6.293 1.00 0.00 C ATOM 169 O VAL A 14 -5.773 0.129 -5.962 1.00 0.00 O ATOM 170 CB VAL A 14 -8.780 1.636 -5.045 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.504 0.879 -3.744 1.00 0.00 C ATOM 172 CG2 VAL A 14 -9.046 3.076 -4.594 1.00 0.00 C ATOM 0 H VAL A 14 -9.104 2.326 -7.383 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.857 2.269 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.605 1.154 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.375 0.947 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.300 -0.168 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.641 1.318 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.858 3.085 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.145 3.486 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.324 3.682 -5.456 1.00 0.00 H new ATOM 182 N GLY A 15 -7.644 -0.713 -6.872 1.00 0.00 N ATOM 183 CA GLY A 15 -7.094 -2.047 -7.089 1.00 0.00 C ATOM 184 C GLY A 15 -5.821 -2.043 -7.936 1.00 0.00 C ATOM 185 O GLY A 15 -4.917 -2.846 -7.696 1.00 0.00 O ATOM 0 H GLY A 15 -8.603 -0.603 -7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.879 -2.506 -6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.845 -2.668 -7.577 1.00 0.00 H new ATOM 189 N LYS A 16 -5.729 -1.148 -8.920 1.00 0.00 N ATOM 190 CA LYS A 16 -4.581 -1.026 -9.803 1.00 0.00 C ATOM 191 C LYS A 16 -3.385 -0.509 -9.030 1.00 0.00 C ATOM 192 O LYS A 16 -2.323 -1.124 -9.077 1.00 0.00 O ATOM 193 CB LYS A 16 -4.935 -0.134 -11.006 1.00 0.00 C ATOM 194 CG LYS A 16 -3.868 -0.164 -12.110 1.00 0.00 C ATOM 195 CD LYS A 16 -3.652 -1.595 -12.632 1.00 0.00 C ATOM 196 CE LYS A 16 -3.441 -1.664 -14.145 1.00 0.00 C ATOM 197 NZ LYS A 16 -3.717 -3.025 -14.643 1.00 0.00 N ATOM 0 H LYS A 16 -6.469 -0.476 -9.125 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.311 -2.006 -10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.889 -0.457 -11.422 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.067 0.892 -10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.172 0.484 -12.932 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.929 0.231 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.787 -2.030 -12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.515 -2.205 -12.365 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.096 -0.948 -14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.417 -1.382 -14.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.378 -3.112 -15.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.227 -3.720 -14.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.741 -3.204 -14.614 1.00 0.00 H new ATOM 211 N VAL A 17 -3.541 0.609 -8.323 1.00 0.00 N ATOM 212 CA VAL A 17 -2.466 1.199 -7.539 1.00 0.00 C ATOM 213 C VAL A 17 -2.019 0.222 -6.451 1.00 0.00 C ATOM 214 O VAL A 17 -0.825 0.129 -6.173 1.00 0.00 O ATOM 215 CB VAL A 17 -2.911 2.570 -6.992 1.00 0.00 C ATOM 216 CG1 VAL A 17 -1.893 3.132 -5.992 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.079 3.545 -8.175 1.00 0.00 C ATOM 0 H VAL A 17 -4.418 1.129 -8.280 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.593 1.383 -8.166 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.857 2.447 -6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.238 4.099 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.788 2.443 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.928 3.254 -6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.394 4.519 -7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.129 3.647 -8.700 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.833 3.158 -8.861 1.00 0.00 H new ATOM 227 N ILE A 18 -2.949 -0.531 -5.863 1.00 0.00 N ATOM 228 CA ILE A 18 -2.645 -1.588 -4.915 1.00 0.00 C ATOM 229 C ILE A 18 -1.724 -2.604 -5.585 1.00 0.00 C ATOM 230 O ILE A 18 -0.607 -2.784 -5.100 1.00 0.00 O ATOM 231 CB ILE A 18 -3.953 -2.173 -4.344 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.537 -1.150 -3.350 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.729 -3.529 -3.664 1.00 0.00 C ATOM 234 CD1 ILE A 18 -6.013 -1.350 -3.017 1.00 0.00 C ATOM 0 H ILE A 18 -3.947 -0.417 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.101 -1.208 -4.050 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.652 -2.353 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.961 -1.194 -2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.404 -0.149 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.677 -3.903 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.328 -4.238 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.023 -3.412 -2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.334 -0.584 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.605 -1.274 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.156 -2.335 -2.573 1.00 0.00 H new ATOM 246 N GLN A 19 -2.151 -3.242 -6.683 1.00 0.00 N ATOM 247 CA GLN A 19 -1.348 -4.265 -7.341 1.00 0.00 C ATOM 248 C GLN A 19 0.045 -3.710 -7.660 1.00 0.00 C ATOM 249 O GLN A 19 1.050 -4.303 -7.284 1.00 0.00 O ATOM 250 CB GLN A 19 -2.030 -4.782 -8.620 1.00 0.00 C ATOM 251 CG GLN A 19 -1.489 -6.180 -8.965 1.00 0.00 C ATOM 252 CD GLN A 19 -1.832 -6.632 -10.385 1.00 0.00 C ATOM 253 OE1 GLN A 19 -2.962 -6.995 -10.693 1.00 0.00 O ATOM 254 NE2 GLN A 19 -0.883 -6.639 -11.304 1.00 0.00 N ATOM 0 H GLN A 19 -3.050 -3.063 -7.130 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.249 -5.110 -6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.110 -4.824 -8.477 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.845 -4.095 -9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.406 -6.182 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.891 -6.902 -8.255 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.062 -6.340 -11.063 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.095 -6.943 -12.254 1.00 0.00 H new ATOM 263 N GLN A 20 0.096 -2.543 -8.306 1.00 0.00 N ATOM 264 CA GLN A 20 1.298 -1.852 -8.743 1.00 0.00 C ATOM 265 C GLN A 20 2.263 -1.583 -7.590 1.00 0.00 C ATOM 266 O GLN A 20 3.468 -1.819 -7.715 1.00 0.00 O ATOM 267 CB GLN A 20 0.848 -0.517 -9.355 1.00 0.00 C ATOM 268 CG GLN A 20 0.291 -0.644 -10.774 1.00 0.00 C ATOM 269 CD GLN A 20 1.416 -0.591 -11.798 1.00 0.00 C ATOM 270 OE1 GLN A 20 2.179 -1.536 -11.972 1.00 0.00 O ATOM 271 NE2 GLN A 20 1.553 0.520 -12.503 1.00 0.00 N ATOM 0 H GLN A 20 -0.752 -2.031 -8.549 1.00 0.00 H new ATOM 0 HA GLN A 20 1.831 -2.475 -9.461 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.086 -0.073 -8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.694 0.170 -9.367 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.255 -1.582 -10.874 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.420 0.160 -10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.915 1.301 -12.353 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.297 0.595 -13.197 1.00 0.00 H new ATOM 280 N GLY A 21 1.766 -1.043 -6.480 1.00 0.00 N ATOM 281 CA GLY A 21 2.608 -0.665 -5.364 1.00 0.00 C ATOM 282 C GLY A 21 3.069 -1.885 -4.587 1.00 0.00 C ATOM 283 O GLY A 21 4.223 -1.913 -4.163 1.00 0.00 O ATOM 0 H GLY A 21 0.773 -0.859 -6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.475 -0.114 -5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.060 0.005 -4.702 1.00 0.00 H new ATOM 287 N ARG A 22 2.218 -2.910 -4.439 1.00 0.00 N ATOM 288 CA ARG A 22 2.643 -4.185 -3.899 1.00 0.00 C ATOM 289 C ARG A 22 3.790 -4.741 -4.733 1.00 0.00 C ATOM 290 O ARG A 22 4.856 -5.028 -4.188 1.00 0.00 O ATOM 291 CB ARG A 22 1.484 -5.189 -3.901 1.00 0.00 C ATOM 292 CG ARG A 22 0.457 -4.988 -2.798 1.00 0.00 C ATOM 293 CD ARG A 22 -0.238 -6.303 -2.410 1.00 0.00 C ATOM 294 NE ARG A 22 -0.986 -6.943 -3.509 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.529 -7.805 -4.434 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.715 -8.265 -4.395 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.321 -8.222 -5.409 1.00 0.00 N ATOM 0 H ARG A 22 1.230 -2.869 -4.690 1.00 0.00 H new ATOM 0 HA ARG A 22 2.973 -4.030 -2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.976 -5.133 -4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.895 -6.195 -3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.946 -4.564 -1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.291 -4.266 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.513 -7.002 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.923 -6.108 -1.585 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.975 -6.701 -3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.347 -7.965 -3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.040 -8.918 -5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.284 -7.889 -5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.969 -8.876 -6.108 1.00 0.00 H new ATOM 311 N GLN A 23 3.566 -4.884 -6.039 1.00 0.00 N ATOM 312 CA GLN A 23 4.496 -5.406 -7.014 1.00 0.00 C ATOM 313 C GLN A 23 5.840 -4.705 -6.910 1.00 0.00 C ATOM 314 O GLN A 23 6.871 -5.359 -6.782 1.00 0.00 O ATOM 315 CB GLN A 23 3.879 -5.165 -8.392 1.00 0.00 C ATOM 316 CG GLN A 23 3.064 -6.351 -8.889 1.00 0.00 C ATOM 317 CD GLN A 23 2.712 -6.134 -10.352 1.00 0.00 C ATOM 318 OE1 GLN A 23 1.645 -5.614 -10.677 1.00 0.00 O ATOM 319 NE2 GLN A 23 3.616 -6.458 -11.258 1.00 0.00 N ATOM 0 H GLN A 23 2.675 -4.620 -6.459 1.00 0.00 H new ATOM 0 HA GLN A 23 4.672 -6.468 -6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.240 -4.283 -8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.672 -4.950 -9.108 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.633 -7.274 -8.772 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.156 -6.459 -8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.495 -6.888 -10.970 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.436 -6.278 -12.246 1.00 0.00 H new ATOM 328 N SER A 24 5.816 -3.370 -6.887 1.00 0.00 N ATOM 329 CA SER A 24 7.020 -2.539 -6.904 1.00 0.00 C ATOM 330 C SER A 24 7.894 -2.747 -5.655 1.00 0.00 C ATOM 331 O SER A 24 8.985 -2.182 -5.555 1.00 0.00 O ATOM 332 CB SER A 24 6.643 -1.058 -7.053 1.00 0.00 C ATOM 333 OG SER A 24 5.900 -0.800 -8.240 1.00 0.00 O ATOM 0 H SER A 24 4.951 -2.831 -6.856 1.00 0.00 H new ATOM 0 HA SER A 24 7.613 -2.849 -7.765 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.058 -0.747 -6.188 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.551 -0.454 -7.058 1.00 0.00 H new ATOM 0 HG SER A 24 4.951 -0.982 -8.078 1.00 0.00 H new ATOM 339 N LYS A 25 7.431 -3.529 -4.679 1.00 0.00 N ATOM 340 CA LYS A 25 8.056 -3.770 -3.388 1.00 0.00 C ATOM 341 C LYS A 25 8.120 -5.276 -3.090 1.00 0.00 C ATOM 342 O LYS A 25 8.542 -5.643 -1.993 1.00 0.00 O ATOM 343 CB LYS A 25 7.248 -2.999 -2.335 1.00 0.00 C ATOM 344 CG LYS A 25 7.182 -1.487 -2.620 1.00 0.00 C ATOM 345 CD LYS A 25 6.282 -0.756 -1.627 1.00 0.00 C ATOM 346 CE LYS A 25 6.854 -0.668 -0.209 1.00 0.00 C ATOM 347 NZ LYS A 25 8.065 0.176 -0.129 1.00 0.00 N ATOM 0 H LYS A 25 6.554 -4.041 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 25 9.088 -3.418 -3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.236 -3.401 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.693 -3.160 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.186 -1.066 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.812 -1.325 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.097 0.253 -1.996 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.317 -1.262 -1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.093 -0.267 0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.092 -1.671 0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.349 0.282 0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.836 -0.272 -0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.863 1.113 -0.533 1.00 0.00 H new ATOM 361 N GLY A 26 7.710 -6.135 -4.033 1.00 0.00 N ATOM 362 CA GLY A 26 7.629 -7.582 -3.872 1.00 0.00 C ATOM 363 C GLY A 26 6.602 -8.024 -2.829 1.00 0.00 C ATOM 364 O GLY A 26 6.661 -9.167 -2.377 1.00 0.00 O ATOM 0 H GLY A 26 7.417 -5.824 -4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.377 -8.033 -4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.610 -7.963 -3.589 1.00 0.00 H new ATOM 368 N LEU A 27 5.683 -7.149 -2.411 1.00 0.00 N ATOM 369 CA LEU A 27 4.800 -7.430 -1.279 1.00 0.00 C ATOM 370 C LEU A 27 3.748 -8.448 -1.709 1.00 0.00 C ATOM 371 O LEU A 27 3.048 -8.230 -2.709 1.00 0.00 O ATOM 372 CB LEU A 27 4.130 -6.140 -0.773 1.00 0.00 C ATOM 373 CG LEU A 27 5.127 -5.114 -0.198 1.00 0.00 C ATOM 374 CD1 LEU A 27 4.487 -3.726 -0.110 1.00 0.00 C ATOM 375 CD2 LEU A 27 5.643 -5.494 1.190 1.00 0.00 C ATOM 0 H LEU A 27 5.532 -6.237 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 27 5.389 -7.840 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.580 -5.680 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.401 -6.396 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 27 5.972 -5.105 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.208 -3.018 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.184 -3.401 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.613 -3.769 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.340 -4.733 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.805 -5.564 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.152 -6.456 1.138 1.00 0.00 H new ATOM 387 N THR A 28 3.599 -9.545 -0.967 1.00 0.00 N ATOM 388 CA THR A 28 2.463 -10.432 -1.173 1.00 0.00 C ATOM 389 C THR A 28 1.166 -9.721 -0.758 1.00 0.00 C ATOM 390 O THR A 28 1.181 -8.670 -0.107 1.00 0.00 O ATOM 391 CB THR A 28 2.663 -11.789 -0.464 1.00 0.00 C ATOM 392 OG1 THR A 28 2.510 -11.648 0.928 1.00 0.00 O ATOM 393 CG2 THR A 28 4.019 -12.432 -0.753 1.00 0.00 C ATOM 0 H THR A 28 4.242 -9.835 -0.230 1.00 0.00 H new ATOM 0 HA THR A 28 2.383 -10.667 -2.234 1.00 0.00 H new ATOM 0 HB THR A 28 1.895 -12.449 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.305 -11.214 1.302 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.092 -13.382 -0.223 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.118 -12.606 -1.824 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.816 -11.768 -0.418 1.00 0.00 H new ATOM 401 N GLN A 29 0.015 -10.312 -1.082 1.00 0.00 N ATOM 402 CA GLN A 29 -1.243 -9.869 -0.489 1.00 0.00 C ATOM 403 C GLN A 29 -1.204 -10.060 1.036 1.00 0.00 C ATOM 404 O GLN A 29 -1.750 -9.231 1.764 1.00 0.00 O ATOM 405 CB GLN A 29 -2.430 -10.611 -1.123 1.00 0.00 C ATOM 406 CG GLN A 29 -2.634 -10.210 -2.596 1.00 0.00 C ATOM 407 CD GLN A 29 -3.812 -10.933 -3.249 1.00 0.00 C ATOM 408 OE1 GLN A 29 -4.147 -12.052 -2.878 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.446 -10.332 -4.238 1.00 0.00 N ATOM 0 H GLN A 29 -0.071 -11.086 -1.741 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.377 -8.806 -0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.263 -11.686 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.337 -10.395 -0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.796 -9.134 -2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.725 -10.427 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.157 -9.401 -4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.225 -10.799 -4.703 1.00 0.00 H new ATOM 418 N LYS A 30 -0.541 -11.110 1.547 1.00 0.00 N ATOM 419 CA LYS A 30 -0.405 -11.317 2.983 1.00 0.00 C ATOM 420 C LYS A 30 0.539 -10.295 3.614 1.00 0.00 C ATOM 421 O LYS A 30 0.275 -9.904 4.747 1.00 0.00 O ATOM 422 CB LYS A 30 0.058 -12.745 3.308 1.00 0.00 C ATOM 423 CG LYS A 30 -1.047 -13.819 3.326 1.00 0.00 C ATOM 424 CD LYS A 30 -1.257 -14.515 1.976 1.00 0.00 C ATOM 425 CE LYS A 30 -2.235 -15.696 2.107 1.00 0.00 C ATOM 426 NZ LYS A 30 -3.652 -15.280 2.065 1.00 0.00 N ATOM 0 H LYS A 30 -0.092 -11.827 0.977 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.395 -11.175 3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.812 -13.038 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.546 -12.736 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.799 -14.570 4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.984 -13.357 3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.642 -13.799 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.300 -14.872 1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.047 -16.407 1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.043 -16.217 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.219 -16.024 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.997 -15.125 3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.739 -14.398 1.521 1.00 0.00 H new ATOM 440 N ASP A 31 1.594 -9.855 2.927 1.00 0.00 N ATOM 441 CA ASP A 31 2.504 -8.822 3.424 1.00 0.00 C ATOM 442 C ASP A 31 1.690 -7.583 3.715 1.00 0.00 C ATOM 443 O ASP A 31 1.768 -7.017 4.805 1.00 0.00 O ATOM 444 CB ASP A 31 3.565 -8.420 2.389 1.00 0.00 C ATOM 445 CG ASP A 31 4.888 -9.144 2.527 1.00 0.00 C ATOM 446 OD1 ASP A 31 5.474 -9.094 3.634 1.00 0.00 O ATOM 447 OD2 ASP A 31 5.366 -9.671 1.502 1.00 0.00 O ATOM 0 H ASP A 31 1.843 -10.208 2.003 1.00 0.00 H new ATOM 0 HA ASP A 31 3.007 -9.225 4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.168 -8.604 1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.743 -7.348 2.468 1.00 0.00 H new ATOM 452 N LEU A 32 0.907 -7.169 2.720 1.00 0.00 N ATOM 453 CA LEU A 32 0.098 -5.969 2.775 1.00 0.00 C ATOM 454 C LEU A 32 -0.858 -6.040 3.953 1.00 0.00 C ATOM 455 O LEU A 32 -0.927 -5.119 4.761 1.00 0.00 O ATOM 456 CB LEU A 32 -0.659 -5.823 1.449 1.00 0.00 C ATOM 457 CG LEU A 32 -0.756 -4.373 0.972 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.528 -3.462 1.932 1.00 0.00 C ATOM 459 CD2 LEU A 32 0.647 -3.824 0.687 1.00 0.00 C ATOM 0 H LEU A 32 0.821 -7.674 1.838 1.00 0.00 H new ATOM 0 HA LEU A 32 0.731 -5.093 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.160 -6.418 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.664 -6.230 1.564 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.337 -4.379 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.556 -2.450 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.546 -3.835 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.032 -3.453 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.571 -2.791 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.245 -3.864 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.123 -4.426 -0.087 1.00 0.00 H new ATOM 471 N ALA A 33 -1.540 -7.176 4.068 1.00 0.00 N ATOM 472 CA ALA A 33 -2.465 -7.488 5.136 1.00 0.00 C ATOM 473 C ALA A 33 -1.790 -7.285 6.497 1.00 0.00 C ATOM 474 O ALA A 33 -2.325 -6.576 7.342 1.00 0.00 O ATOM 475 CB ALA A 33 -2.958 -8.919 4.923 1.00 0.00 C ATOM 0 H ALA A 33 -1.455 -7.931 3.388 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.326 -6.819 5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.659 -9.184 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.457 -8.992 3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.110 -9.603 4.945 1.00 0.00 H new ATOM 481 N THR A 34 -0.594 -7.844 6.696 1.00 0.00 N ATOM 482 CA THR A 34 0.208 -7.657 7.902 1.00 0.00 C ATOM 483 C THR A 34 0.565 -6.177 8.107 1.00 0.00 C ATOM 484 O THR A 34 0.412 -5.663 9.217 1.00 0.00 O ATOM 485 CB THR A 34 1.446 -8.566 7.806 1.00 0.00 C ATOM 486 OG1 THR A 34 1.032 -9.921 7.913 1.00 0.00 O ATOM 487 CG2 THR A 34 2.474 -8.300 8.904 1.00 0.00 C ATOM 0 H THR A 34 -0.149 -8.451 6.008 1.00 0.00 H new ATOM 0 HA THR A 34 -0.363 -7.943 8.785 1.00 0.00 H new ATOM 0 HB THR A 34 1.919 -8.355 6.847 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.703 -10.232 7.044 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.322 -8.974 8.779 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.818 -7.268 8.838 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.017 -8.469 9.879 1.00 0.00 H new ATOM 495 N LYS A 35 0.990 -5.457 7.062 1.00 0.00 N ATOM 496 CA LYS A 35 1.278 -4.026 7.107 1.00 0.00 C ATOM 497 C LYS A 35 0.106 -3.218 7.664 1.00 0.00 C ATOM 498 O LYS A 35 0.330 -2.191 8.309 1.00 0.00 O ATOM 499 CB LYS A 35 1.697 -3.554 5.702 1.00 0.00 C ATOM 500 CG LYS A 35 3.166 -3.133 5.695 1.00 0.00 C ATOM 501 CD LYS A 35 3.697 -2.953 4.267 1.00 0.00 C ATOM 502 CE LYS A 35 5.040 -2.213 4.238 1.00 0.00 C ATOM 503 NZ LYS A 35 4.952 -0.774 4.592 1.00 0.00 N ATOM 0 H LYS A 35 1.146 -5.867 6.141 1.00 0.00 H new ATOM 0 HA LYS A 35 2.104 -3.853 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.539 -4.356 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.071 -2.717 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.280 -2.199 6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.762 -3.884 6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.812 -3.930 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.966 -2.400 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.727 -2.704 4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.470 -2.304 3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.756 -0.516 5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.975 -0.201 3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.063 -0.595 5.101 1.00 0.00 H new ATOM 517 N ILE A 36 -1.127 -3.693 7.493 1.00 0.00 N ATOM 518 CA ILE A 36 -2.333 -3.033 7.975 1.00 0.00 C ATOM 519 C ILE A 36 -3.042 -3.815 9.097 1.00 0.00 C ATOM 520 O ILE A 36 -4.115 -3.398 9.529 1.00 0.00 O ATOM 521 CB ILE A 36 -3.227 -2.655 6.782 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.845 -3.858 6.051 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.459 -1.755 5.791 1.00 0.00 C ATOM 524 CD1 ILE A 36 -5.022 -3.368 5.218 1.00 0.00 C ATOM 0 H ILE A 36 -1.316 -4.568 7.004 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.055 -2.101 8.468 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.066 -2.103 7.206 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.102 -4.335 5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.176 -4.608 6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.108 -1.498 4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.143 -0.843 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.583 -2.287 5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.472 -4.211 4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.764 -2.910 5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.673 -2.633 4.493 1.00 0.00 H new ATOM 536 N ASN A 37 -2.436 -4.889 9.617 1.00 0.00 N ATOM 537 CA ASN A 37 -2.947 -5.765 10.678 1.00 0.00 C ATOM 538 C ASN A 37 -4.329 -6.374 10.355 1.00 0.00 C ATOM 539 O ASN A 37 -5.066 -6.776 11.259 1.00 0.00 O ATOM 540 CB ASN A 37 -2.903 -5.023 12.032 1.00 0.00 C ATOM 541 CG ASN A 37 -2.669 -5.929 13.239 1.00 0.00 C ATOM 542 OD1 ASN A 37 -1.760 -5.684 14.029 1.00 0.00 O ATOM 543 ND2 ASN A 37 -3.483 -6.941 13.471 1.00 0.00 N ATOM 0 H ASN A 37 -1.518 -5.188 9.287 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.289 -6.631 10.748 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.112 -4.274 11.997 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.843 -4.489 12.171 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.357 -7.517 14.304 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.239 -7.148 12.818 1.00 0.00 H new ATOM 550 N GLU A 38 -4.709 -6.442 9.080 1.00 0.00 N ATOM 551 CA GLU A 38 -6.034 -6.869 8.631 1.00 0.00 C ATOM 552 C GLU A 38 -5.916 -8.162 7.817 1.00 0.00 C ATOM 553 O GLU A 38 -4.809 -8.640 7.550 1.00 0.00 O ATOM 554 CB GLU A 38 -6.720 -5.720 7.856 1.00 0.00 C ATOM 555 CG GLU A 38 -8.061 -5.286 8.467 1.00 0.00 C ATOM 556 CD GLU A 38 -9.174 -6.327 8.332 1.00 0.00 C ATOM 557 OE1 GLU A 38 -9.044 -7.420 8.923 1.00 0.00 O ATOM 558 OE2 GLU A 38 -10.189 -6.044 7.659 1.00 0.00 O ATOM 0 H GLU A 38 -4.087 -6.195 8.310 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.670 -7.095 9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.049 -4.862 7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.884 -6.034 6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.912 -5.064 9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.383 -4.361 7.989 1.00 0.00 H new ATOM 565 N LYS A 39 -7.049 -8.759 7.451 1.00 0.00 N ATOM 566 CA LYS A 39 -7.115 -10.061 6.797 1.00 0.00 C ATOM 567 C LYS A 39 -6.613 -9.974 5.354 1.00 0.00 C ATOM 568 O LYS A 39 -6.993 -9.069 4.615 1.00 0.00 O ATOM 569 CB LYS A 39 -8.547 -10.588 6.838 1.00 0.00 C ATOM 570 CG LYS A 39 -9.004 -10.839 8.279 1.00 0.00 C ATOM 571 CD LYS A 39 -10.501 -11.115 8.347 1.00 0.00 C ATOM 572 CE LYS A 39 -10.883 -11.483 9.782 1.00 0.00 C ATOM 573 NZ LYS A 39 -12.342 -11.585 9.974 1.00 0.00 N ATOM 0 H LYS A 39 -7.966 -8.340 7.605 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.467 -10.754 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.215 -9.871 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.613 -11.514 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.457 -11.686 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.764 -9.972 8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.059 -10.236 8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.764 -11.927 7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.419 -12.433 10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.482 -10.733 10.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.545 -11.836 10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.786 -10.672 9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.724 -12.319 9.345 1.00 0.00 H new ATOM 587 N PRO A 40 -5.850 -10.962 4.871 1.00 0.00 N ATOM 588 CA PRO A 40 -5.371 -11.008 3.495 1.00 0.00 C ATOM 589 C PRO A 40 -6.474 -11.392 2.507 1.00 0.00 C ATOM 590 O PRO A 40 -6.282 -11.265 1.297 1.00 0.00 O ATOM 591 CB PRO A 40 -4.256 -12.044 3.528 1.00 0.00 C ATOM 592 CG PRO A 40 -4.745 -13.042 4.577 1.00 0.00 C ATOM 593 CD PRO A 40 -5.452 -12.151 5.595 1.00 0.00 C ATOM 0 HA PRO A 40 -5.027 -10.033 3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.115 -12.517 2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.301 -11.600 3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.422 -13.780 4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.919 -13.592 5.027 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.318 -12.657 6.022 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.789 -11.901 6.423 1.00 0.00 H new ATOM 601 N GLN A 41 -7.625 -11.840 3.014 1.00 0.00 N ATOM 602 CA GLN A 41 -8.851 -11.908 2.251 1.00 0.00 C ATOM 603 C GLN A 41 -9.195 -10.505 1.758 1.00 0.00 C ATOM 604 O GLN A 41 -9.310 -10.299 0.555 1.00 0.00 O ATOM 605 CB GLN A 41 -9.963 -12.486 3.138 1.00 0.00 C ATOM 606 CG GLN A 41 -11.276 -12.696 2.371 1.00 0.00 C ATOM 607 CD GLN A 41 -11.130 -13.808 1.338 1.00 0.00 C ATOM 608 OE1 GLN A 41 -10.899 -14.960 1.707 1.00 0.00 O ATOM 609 NE2 GLN A 41 -11.253 -13.509 0.058 1.00 0.00 N ATOM 0 H GLN A 41 -7.722 -12.166 3.976 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.739 -12.561 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.633 -13.438 3.555 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.140 -11.814 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.074 -12.946 3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.565 -11.769 1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.444 -12.548 -0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.157 -14.239 -0.648 1.00 0.00 H new ATOM 618 N VAL A 42 -9.345 -9.539 2.672 1.00 0.00 N ATOM 619 CA VAL A 42 -9.895 -8.244 2.303 1.00 0.00 C ATOM 620 C VAL A 42 -8.944 -7.486 1.373 1.00 0.00 C ATOM 621 O VAL A 42 -9.407 -6.688 0.573 1.00 0.00 O ATOM 622 CB VAL A 42 -10.406 -7.435 3.517 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.222 -8.341 4.459 1.00 0.00 C ATOM 624 CG2 VAL A 42 -9.337 -6.688 4.326 1.00 0.00 C ATOM 0 H VAL A 42 -9.095 -9.633 3.656 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.799 -8.417 1.719 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.027 -6.655 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.575 -7.758 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.076 -8.751 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.593 -9.157 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.811 -6.157 5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.615 -7.402 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.825 -5.974 3.681 1.00 0.00 H new ATOM 634 N ILE A 43 -7.640 -7.778 1.401 1.00 0.00 N ATOM 635 CA ILE A 43 -6.656 -7.262 0.452 1.00 0.00 C ATOM 636 C ILE A 43 -6.949 -7.738 -0.974 1.00 0.00 C ATOM 637 O ILE A 43 -6.884 -6.947 -1.920 1.00 0.00 O ATOM 638 CB ILE A 43 -5.249 -7.711 0.894 1.00 0.00 C ATOM 639 CG1 ILE A 43 -4.851 -7.138 2.263 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.185 -7.367 -0.156 1.00 0.00 C ATOM 641 CD1 ILE A 43 -4.865 -5.609 2.360 1.00 0.00 C ATOM 0 H ILE A 43 -7.232 -8.395 2.103 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.711 -6.173 0.446 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.298 -8.795 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.527 -7.540 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.850 -7.493 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.208 -7.700 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.425 -7.867 -1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.166 -6.289 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.570 -5.305 3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.166 -5.192 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.869 -5.240 2.150 1.00 0.00 H new ATOM 653 N ALA A 44 -7.203 -9.036 -1.140 1.00 0.00 N ATOM 654 CA ALA A 44 -7.560 -9.606 -2.432 1.00 0.00 C ATOM 655 C ALA A 44 -8.906 -9.056 -2.909 1.00 0.00 C ATOM 656 O ALA A 44 -9.088 -8.813 -4.098 1.00 0.00 O ATOM 657 CB ALA A 44 -7.595 -11.132 -2.336 1.00 0.00 C ATOM 0 H ALA A 44 -7.166 -9.718 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.805 -9.322 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.863 -11.552 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.613 -11.501 -2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.334 -11.433 -1.594 1.00 0.00 H new ATOM 663 N ASP A 45 -9.844 -8.840 -1.990 1.00 0.00 N ATOM 664 CA ASP A 45 -11.148 -8.270 -2.300 1.00 0.00 C ATOM 665 C ASP A 45 -11.041 -6.765 -2.624 1.00 0.00 C ATOM 666 O ASP A 45 -11.802 -6.267 -3.457 1.00 0.00 O ATOM 667 CB ASP A 45 -12.113 -8.574 -1.144 1.00 0.00 C ATOM 668 CG ASP A 45 -12.731 -9.970 -1.217 1.00 0.00 C ATOM 669 OD1 ASP A 45 -12.104 -10.985 -0.844 1.00 0.00 O ATOM 670 OD2 ASP A 45 -13.892 -10.062 -1.662 1.00 0.00 O ATOM 0 H ASP A 45 -9.717 -9.058 -1.002 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.550 -8.731 -3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.580 -8.470 -0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.911 -7.832 -1.143 1.00 0.00 H new ATOM 675 N TYR A 46 -10.095 -6.025 -2.024 1.00 0.00 N ATOM 676 CA TYR A 46 -9.754 -4.646 -2.370 1.00 0.00 C ATOM 677 C TYR A 46 -9.315 -4.519 -3.822 1.00 0.00 C ATOM 678 O TYR A 46 -9.632 -3.509 -4.450 1.00 0.00 O ATOM 679 CB TYR A 46 -8.625 -4.125 -1.461 1.00 0.00 C ATOM 680 CG TYR A 46 -9.014 -3.009 -0.516 1.00 0.00 C ATOM 681 CD1 TYR A 46 -8.970 -1.667 -0.939 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.341 -3.308 0.816 1.00 0.00 C ATOM 683 CE1 TYR A 46 -9.219 -0.629 -0.022 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.595 -2.280 1.735 1.00 0.00 C ATOM 685 CZ TYR A 46 -9.527 -0.929 1.323 1.00 0.00 C ATOM 686 OH TYR A 46 -9.726 0.091 2.206 1.00 0.00 O ATOM 0 H TYR A 46 -9.529 -6.389 -1.257 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.655 -4.050 -2.225 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.241 -4.959 -0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.807 -3.776 -2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.745 -1.434 -1.969 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.397 -4.338 1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.174 0.400 -0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.843 -2.520 2.758 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.138 -0.259 3.023 1.00 0.00 H new ATOM 696 N GLU A 47 -8.567 -5.494 -4.343 1.00 0.00 N ATOM 697 CA GLU A 47 -8.112 -5.492 -5.726 1.00 0.00 C ATOM 698 C GLU A 47 -9.307 -5.494 -6.679 1.00 0.00 C ATOM 699 O GLU A 47 -9.462 -4.555 -7.464 1.00 0.00 O ATOM 700 CB GLU A 47 -7.175 -6.679 -5.981 1.00 0.00 C ATOM 701 CG GLU A 47 -5.704 -6.269 -5.869 1.00 0.00 C ATOM 702 CD GLU A 47 -4.806 -7.474 -6.123 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.953 -8.151 -7.164 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.986 -7.779 -5.228 1.00 0.00 O ATOM 0 H GLU A 47 -8.261 -6.309 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.545 -4.580 -5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.388 -7.472 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.365 -7.087 -6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.482 -5.481 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.506 -5.860 -4.878 1.00 0.00 H new ATOM 711 N SER A 48 -10.178 -6.503 -6.597 1.00 0.00 N ATOM 712 CA SER A 48 -11.307 -6.617 -7.515 1.00 0.00 C ATOM 713 C SER A 48 -12.327 -5.494 -7.326 1.00 0.00 C ATOM 714 O SER A 48 -13.035 -5.152 -8.276 1.00 0.00 O ATOM 715 CB SER A 48 -11.992 -7.977 -7.349 1.00 0.00 C ATOM 716 OG SER A 48 -12.020 -8.410 -5.999 1.00 0.00 O ATOM 0 H SER A 48 -10.121 -7.250 -5.905 1.00 0.00 H new ATOM 0 HA SER A 48 -10.907 -6.529 -8.525 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.012 -7.915 -7.729 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.471 -8.719 -7.954 1.00 0.00 H new ATOM 0 HG SER A 48 -12.468 -9.280 -5.944 1.00 0.00 H new ATOM 722 N GLY A 49 -12.419 -4.926 -6.120 1.00 0.00 N ATOM 723 CA GLY A 49 -13.477 -3.993 -5.759 1.00 0.00 C ATOM 724 C GLY A 49 -14.618 -4.674 -5.011 1.00 0.00 C ATOM 725 O GLY A 49 -15.661 -4.054 -4.785 1.00 0.00 O ATOM 0 H GLY A 49 -11.755 -5.105 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.062 -3.199 -5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.867 -3.522 -6.661 1.00 0.00 H new ATOM 729 N ARG A 50 -14.458 -5.946 -4.634 1.00 0.00 N ATOM 730 CA ARG A 50 -15.421 -6.634 -3.786 1.00 0.00 C ATOM 731 C ARG A 50 -15.391 -6.058 -2.372 1.00 0.00 C ATOM 732 O ARG A 50 -16.446 -5.959 -1.746 1.00 0.00 O ATOM 733 CB ARG A 50 -15.130 -8.130 -3.759 1.00 0.00 C ATOM 734 CG ARG A 50 -15.430 -8.777 -5.118 1.00 0.00 C ATOM 735 CD ARG A 50 -15.625 -10.293 -5.041 1.00 0.00 C ATOM 736 NE ARG A 50 -14.750 -10.967 -4.070 1.00 0.00 N ATOM 737 CZ ARG A 50 -14.750 -12.266 -3.766 1.00 0.00 C ATOM 738 NH1 ARG A 50 -15.370 -13.145 -4.546 1.00 0.00 N ATOM 739 NH2 ARG A 50 -14.150 -12.656 -2.646 1.00 0.00 N ATOM 0 H ARG A 50 -13.661 -6.520 -4.909 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.418 -6.483 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.085 -8.295 -3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.732 -8.607 -2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.328 -8.324 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.612 -8.558 -5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.663 -10.501 -4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.450 -10.721 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.074 -10.382 -3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.853 -12.829 -5.387 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.363 -14.136 -4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.703 -11.968 -2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.137 -13.644 -2.392 1.00 0.00 H new ATOM 753 N ALA A 51 -14.213 -5.702 -1.845 1.00 0.00 N ATOM 754 CA ALA A 51 -14.113 -5.093 -0.523 1.00 0.00 C ATOM 755 C ALA A 51 -14.655 -3.675 -0.608 1.00 0.00 C ATOM 756 O ALA A 51 -14.341 -2.931 -1.546 1.00 0.00 O ATOM 757 CB ALA A 51 -12.672 -5.046 -0.001 1.00 0.00 C ATOM 0 H ALA A 51 -13.318 -5.827 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.689 -5.704 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.657 -4.583 0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.277 -6.059 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.056 -4.462 -0.685 1.00 0.00 H new ATOM 763 N ILE A 52 -15.420 -3.278 0.402 1.00 0.00 N ATOM 764 CA ILE A 52 -15.814 -1.891 0.579 1.00 0.00 C ATOM 765 C ILE A 52 -14.582 -1.173 1.146 1.00 0.00 C ATOM 766 O ILE A 52 -14.040 -1.656 2.145 1.00 0.00 O ATOM 767 CB ILE A 52 -17.032 -1.794 1.508 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.139 -2.808 1.153 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.593 -0.366 1.476 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.574 -2.863 -0.316 1.00 0.00 C ATOM 0 H ILE A 52 -15.782 -3.908 1.118 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.122 -1.426 -0.357 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.692 -2.041 2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.797 -3.801 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.016 -2.582 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.458 -0.300 2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.827 0.334 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.894 -0.116 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.356 -3.613 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.956 -1.888 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.719 -3.127 -0.939 1.00 0.00 H new ATOM 782 N PRO A 53 -14.096 -0.076 0.549 1.00 0.00 N ATOM 783 CA PRO A 53 -12.959 0.648 1.093 1.00 0.00 C ATOM 784 C PRO A 53 -13.356 1.329 2.406 1.00 0.00 C ATOM 785 O PRO A 53 -14.540 1.540 2.681 1.00 0.00 O ATOM 786 CB PRO A 53 -12.558 1.645 0.006 1.00 0.00 C ATOM 787 CG PRO A 53 -13.880 1.932 -0.703 1.00 0.00 C ATOM 788 CD PRO A 53 -14.638 0.608 -0.609 1.00 0.00 C ATOM 0 HA PRO A 53 -12.117 0.001 1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.123 2.550 0.430 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.818 1.224 -0.675 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.426 2.741 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.722 2.230 -1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.709 0.778 -0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.502 0.014 -1.513 1.00 0.00 H new ATOM 796 N ASN A 54 -12.380 1.661 3.247 1.00 0.00 N ATOM 797 CA ASN A 54 -12.588 2.465 4.447 1.00 0.00 C ATOM 798 C ASN A 54 -11.459 3.475 4.520 1.00 0.00 C ATOM 799 O ASN A 54 -10.314 3.071 4.328 1.00 0.00 O ATOM 800 CB ASN A 54 -12.571 1.559 5.687 1.00 0.00 C ATOM 801 CG ASN A 54 -13.098 2.271 6.928 1.00 0.00 C ATOM 802 OD1 ASN A 54 -12.727 3.407 7.210 1.00 0.00 O ATOM 803 ND2 ASN A 54 -13.954 1.633 7.704 1.00 0.00 N ATOM 0 H ASN A 54 -11.410 1.375 3.112 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.551 2.974 4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.175 0.672 5.495 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.552 1.217 5.871 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.313 2.083 8.546 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.257 0.690 7.462 1.00 0.00 H new ATOM 810 N ASN A 55 -11.732 4.737 4.857 1.00 0.00 N ATOM 811 CA ASN A 55 -10.732 5.806 4.949 1.00 0.00 C ATOM 812 C ASN A 55 -9.591 5.407 5.884 1.00 0.00 C ATOM 813 O ASN A 55 -8.444 5.797 5.661 1.00 0.00 O ATOM 814 CB ASN A 55 -11.323 7.125 5.492 1.00 0.00 C ATOM 815 CG ASN A 55 -12.583 7.642 4.809 1.00 0.00 C ATOM 816 OD1 ASN A 55 -13.205 6.962 4.000 1.00 0.00 O ATOM 817 ND2 ASN A 55 -13.034 8.820 5.199 1.00 0.00 N ATOM 0 H ASN A 55 -12.676 5.053 5.079 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.373 5.959 3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.541 6.990 6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.556 7.896 5.421 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.913 9.178 4.826 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.503 9.372 5.873 1.00 0.00 H new ATOM 824 N GLN A 56 -9.900 4.650 6.943 1.00 0.00 N ATOM 825 CA GLN A 56 -8.918 4.163 7.896 1.00 0.00 C ATOM 826 C GLN A 56 -7.917 3.253 7.187 1.00 0.00 C ATOM 827 O GLN A 56 -6.714 3.503 7.231 1.00 0.00 O ATOM 828 CB GLN A 56 -9.627 3.431 9.049 1.00 0.00 C ATOM 829 CG GLN A 56 -8.653 3.111 10.193 1.00 0.00 C ATOM 830 CD GLN A 56 -9.228 2.168 11.245 1.00 0.00 C ATOM 831 OE1 GLN A 56 -8.602 1.165 11.581 1.00 0.00 O ATOM 832 NE2 GLN A 56 -10.396 2.440 11.796 1.00 0.00 N ATOM 0 H GLN A 56 -10.854 4.359 7.158 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.368 5.004 8.320 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.443 4.047 9.426 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.070 2.507 8.677 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.750 2.667 9.775 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.356 4.042 10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -10.911 3.274 11.514 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.783 1.817 12.504 1.00 0.00 H new ATOM 841 N VAL A 57 -8.416 2.185 6.565 1.00 0.00 N ATOM 842 CA VAL A 57 -7.623 1.172 5.892 1.00 0.00 C ATOM 843 C VAL A 57 -6.951 1.793 4.667 1.00 0.00 C ATOM 844 O VAL A 57 -5.751 1.615 4.534 1.00 0.00 O ATOM 845 CB VAL A 57 -8.526 -0.029 5.546 1.00 0.00 C ATOM 846 CG1 VAL A 57 -7.748 -1.057 4.723 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.042 -0.691 6.835 1.00 0.00 C ATOM 0 H VAL A 57 -9.418 2.001 6.518 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.828 0.799 6.537 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.372 0.332 4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.397 -1.900 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.400 -0.595 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.891 -1.410 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.679 -1.538 6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.197 -1.039 7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.617 0.034 7.411 1.00 0.00 H new ATOM 857 N LEU A 58 -7.645 2.567 3.823 1.00 0.00 N ATOM 858 CA LEU A 58 -7.029 3.365 2.755 1.00 0.00 C ATOM 859 C LEU A 58 -5.788 4.100 3.269 1.00 0.00 C ATOM 860 O LEU A 58 -4.696 3.882 2.748 1.00 0.00 O ATOM 861 CB LEU A 58 -8.022 4.380 2.158 1.00 0.00 C ATOM 862 CG LEU A 58 -9.108 3.795 1.237 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.074 4.915 0.852 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.544 3.197 -0.056 1.00 0.00 C ATOM 0 H LEU A 58 -8.660 2.658 3.863 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.734 2.671 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.512 4.905 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.458 5.124 1.595 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.598 2.993 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.851 4.517 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.532 5.326 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.529 5.702 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.360 2.802 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.019 3.971 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.851 2.392 0.188 1.00 0.00 H new ATOM 876 N GLY A 59 -5.916 4.909 4.326 1.00 0.00 N ATOM 877 CA GLY A 59 -4.803 5.669 4.893 1.00 0.00 C ATOM 878 C GLY A 59 -3.675 4.795 5.462 1.00 0.00 C ATOM 879 O GLY A 59 -2.585 5.304 5.741 1.00 0.00 O ATOM 0 H GLY A 59 -6.800 5.054 4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.391 6.320 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.183 6.314 5.685 1.00 0.00 H new ATOM 883 N LYS A 60 -3.907 3.493 5.662 1.00 0.00 N ATOM 884 CA LYS A 60 -2.901 2.496 6.019 1.00 0.00 C ATOM 885 C LYS A 60 -2.286 1.889 4.766 1.00 0.00 C ATOM 886 O LYS A 60 -1.065 1.812 4.704 1.00 0.00 O ATOM 887 CB LYS A 60 -3.526 1.392 6.877 1.00 0.00 C ATOM 888 CG LYS A 60 -4.030 1.924 8.223 1.00 0.00 C ATOM 889 CD LYS A 60 -4.969 0.945 8.922 1.00 0.00 C ATOM 890 CE LYS A 60 -4.282 -0.367 9.228 1.00 0.00 C ATOM 891 NZ LYS A 60 -3.581 -0.370 10.526 1.00 0.00 N ATOM 0 H LYS A 60 -4.841 3.092 5.575 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.117 2.990 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.355 0.937 6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.789 0.607 7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.178 2.131 8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.548 2.870 8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.334 1.389 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.839 0.762 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.022 -1.167 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.566 -0.588 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.132 -1.296 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.853 0.373 10.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.263 -0.189 11.290 1.00 0.00 H new ATOM 905 N ILE A 61 -3.093 1.490 3.776 1.00 0.00 N ATOM 906 CA ILE A 61 -2.632 0.976 2.487 1.00 0.00 C ATOM 907 C ILE A 61 -1.665 1.986 1.875 1.00 0.00 C ATOM 908 O ILE A 61 -0.659 1.586 1.301 1.00 0.00 O ATOM 909 CB ILE A 61 -3.802 0.645 1.529 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.653 -0.525 2.072 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.283 0.263 0.128 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.779 -0.933 1.111 1.00 0.00 C ATOM 0 H ILE A 61 -4.110 1.517 3.854 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.115 0.031 2.651 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.417 1.542 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.008 -1.384 2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.085 -0.240 3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.127 0.036 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.716 1.095 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.638 -0.612 0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.345 -1.759 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.443 -0.084 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.350 -1.246 0.159 1.00 0.00 H new ATOM 924 N GLU A 62 -1.914 3.286 2.032 1.00 0.00 N ATOM 925 CA GLU A 62 -0.953 4.268 1.546 1.00 0.00 C ATOM 926 C GLU A 62 0.434 4.033 2.145 1.00 0.00 C ATOM 927 O GLU A 62 1.386 3.841 1.402 1.00 0.00 O ATOM 928 CB GLU A 62 -1.370 5.711 1.848 1.00 0.00 C ATOM 929 CG GLU A 62 -2.638 6.186 1.150 1.00 0.00 C ATOM 930 CD GLU A 62 -2.958 7.652 1.406 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.492 8.226 2.423 1.00 0.00 O ATOM 932 OE2 GLU A 62 -3.737 8.225 0.606 1.00 0.00 O ATOM 0 H GLU A 62 -2.746 3.672 2.478 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.924 4.134 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.508 5.813 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.551 6.374 1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.534 6.027 0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.477 5.575 1.483 1.00 0.00 H new ATOM 939 N ARG A 63 0.564 3.974 3.475 1.00 0.00 N ATOM 940 CA ARG A 63 1.837 3.668 4.143 1.00 0.00 C ATOM 941 C ARG A 63 2.276 2.221 3.941 1.00 0.00 C ATOM 942 O ARG A 63 3.365 1.845 4.376 1.00 0.00 O ATOM 943 CB ARG A 63 1.766 4.011 5.638 1.00 0.00 C ATOM 944 CG ARG A 63 1.474 5.503 5.807 1.00 0.00 C ATOM 945 CD ARG A 63 1.941 6.034 7.163 1.00 0.00 C ATOM 946 NE ARG A 63 0.923 5.908 8.217 1.00 0.00 N ATOM 947 CZ ARG A 63 0.984 6.482 9.426 1.00 0.00 C ATOM 948 NH1 ARG A 63 2.074 7.138 9.823 1.00 0.00 N ATOM 949 NH2 ARG A 63 -0.076 6.381 10.218 1.00 0.00 N ATOM 0 H ARG A 63 -0.209 4.137 4.120 1.00 0.00 H new ATOM 0 HA ARG A 63 2.595 4.295 3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.987 3.420 6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.707 3.757 6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.968 6.060 5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.403 5.676 5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.838 5.495 7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.219 7.083 7.059 1.00 0.00 H new ATOM 0 HE ARG A 63 0.103 5.337 8.011 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.880 7.210 9.203 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.102 7.569 10.747 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.904 5.878 9.900 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.063 6.807 11.145 1.00 0.00 H new ATOM 963 N ALA A 64 1.428 1.388 3.349 1.00 0.00 N ATOM 964 CA ALA A 64 1.734 0.013 3.018 1.00 0.00 C ATOM 965 C ALA A 64 2.529 -0.092 1.708 1.00 0.00 C ATOM 966 O ALA A 64 3.270 -1.060 1.548 1.00 0.00 O ATOM 967 CB ALA A 64 0.440 -0.799 2.935 1.00 0.00 C ATOM 0 H ALA A 64 0.483 1.664 3.081 1.00 0.00 H new ATOM 0 HA ALA A 64 2.363 -0.396 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.675 -1.834 2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.073 -0.765 3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.205 -0.378 2.164 1.00 0.00 H new ATOM 973 N ILE A 65 2.386 0.867 0.782 1.00 0.00 N ATOM 974 CA ILE A 65 3.076 0.866 -0.518 1.00 0.00 C ATOM 975 C ILE A 65 3.825 2.177 -0.799 1.00 0.00 C ATOM 976 O ILE A 65 4.610 2.248 -1.741 1.00 0.00 O ATOM 977 CB ILE A 65 2.095 0.541 -1.663 1.00 0.00 C ATOM 978 CG1 ILE A 65 1.041 1.650 -1.863 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.463 -0.837 -1.431 1.00 0.00 C ATOM 980 CD1 ILE A 65 -0.021 1.322 -2.913 1.00 0.00 C ATOM 0 H ILE A 65 1.780 1.676 0.916 1.00 0.00 H new ATOM 0 HA ILE A 65 3.830 0.080 -0.467 1.00 0.00 H new ATOM 0 HB ILE A 65 2.656 0.503 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.547 1.843 -0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.549 2.571 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.771 -1.061 -2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.245 -1.596 -1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.923 -0.835 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.723 2.152 -2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.459 1.159 -3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.558 0.420 -2.618 1.00 0.00 H new ATOM 992 N GLY A 66 3.596 3.219 -0.008 1.00 0.00 N ATOM 993 CA GLY A 66 4.132 4.560 -0.183 1.00 0.00 C ATOM 994 C GLY A 66 3.594 5.233 -1.436 1.00 0.00 C ATOM 995 O GLY A 66 4.342 5.951 -2.094 1.00 0.00 O ATOM 0 H GLY A 66 2.999 3.145 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.883 5.166 0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.220 4.511 -0.237 1.00 0.00 H new ATOM 999 N LEU A 67 2.308 5.042 -1.748 1.00 0.00 N ATOM 1000 CA LEU A 67 1.594 5.778 -2.791 1.00 0.00 C ATOM 1001 C LEU A 67 0.259 6.276 -2.235 1.00 0.00 C ATOM 1002 O LEU A 67 -0.196 5.796 -1.199 1.00 0.00 O ATOM 1003 CB LEU A 67 1.370 4.915 -4.048 1.00 0.00 C ATOM 1004 CG LEU A 67 2.627 4.314 -4.713 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.200 3.330 -5.808 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.542 5.380 -5.333 1.00 0.00 C ATOM 0 H LEU A 67 1.724 4.356 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 67 2.205 6.629 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.701 4.096 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.851 5.523 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 67 3.193 3.811 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.085 2.904 -6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.604 2.531 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.607 3.854 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.408 4.897 -5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.993 5.931 -6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.875 6.070 -4.557 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.360 7.247 -2.909 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.687 7.783 -2.618 1.00 0.00 C ATOM 1020 C LYS A 68 -2.727 6.767 -3.063 1.00 0.00 C ATOM 1021 O LYS A 68 -2.581 6.205 -4.150 1.00 0.00 O ATOM 1022 CB LYS A 68 -1.887 9.095 -3.397 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.101 10.253 -2.768 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.321 11.563 -3.534 1.00 0.00 C ATOM 1025 CE LYS A 68 -0.457 12.694 -2.958 1.00 0.00 C ATOM 1026 NZ LYS A 68 -0.996 13.254 -1.699 1.00 0.00 N ATOM 0 H LYS A 68 0.074 7.702 -3.712 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.788 7.978 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.568 8.957 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.947 9.346 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.408 10.381 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.038 10.010 -2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.079 11.417 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.373 11.844 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.550 12.318 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.373 13.491 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.370 14.012 -1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.946 13.640 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.051 12.504 -0.981 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.792 6.588 -2.275 1.00 0.00 N ATOM 1041 CA LEU A 69 -4.909 5.682 -2.565 1.00 0.00 C ATOM 1042 C LEU A 69 -6.210 6.487 -2.707 1.00 0.00 C ATOM 1043 O LEU A 69 -7.297 5.910 -2.731 1.00 0.00 O ATOM 1044 CB LEU A 69 -5.015 4.589 -1.482 1.00 0.00 C ATOM 1045 CG LEU A 69 -4.079 3.376 -1.635 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.524 2.434 -2.747 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.607 3.672 -1.897 1.00 0.00 C ATOM 0 H LEU A 69 -3.904 7.084 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.728 5.174 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.821 5.049 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.043 4.226 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.160 2.927 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.830 1.596 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.525 2.061 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.536 2.971 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.057 2.735 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.509 4.238 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.200 4.255 -1.071 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.125 7.822 -2.785 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.260 8.716 -2.962 1.00 0.00 C ATOM 1061 C ARG A 70 -6.879 9.833 -3.921 1.00 0.00 C ATOM 1062 O ARG A 70 -5.691 10.128 -4.075 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.702 9.318 -1.616 1.00 0.00 C ATOM 1064 CG ARG A 70 -7.974 8.277 -0.518 1.00 0.00 C ATOM 1065 CD ARG A 70 -8.850 8.844 0.607 1.00 0.00 C ATOM 1066 NE ARG A 70 -8.120 9.845 1.399 1.00 0.00 N ATOM 1067 CZ ARG A 70 -8.175 11.178 1.296 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -8.995 11.784 0.439 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -7.388 11.922 2.064 1.00 0.00 N ATOM 0 H ARG A 70 -5.235 8.317 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.092 8.143 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.930 10.004 -1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.605 9.907 -1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.464 7.408 -0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.027 7.933 -0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.745 9.297 0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.181 8.034 1.257 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.494 9.478 2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.604 11.230 -0.162 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.014 12.802 0.384 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.750 11.476 2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.421 12.939 1.994 1.00 0.00 H new ATOM 1083 N GLY A 71 -7.892 10.497 -4.474 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.740 11.535 -5.473 1.00 0.00 C ATOM 1085 C GLY A 71 -7.397 10.935 -6.832 1.00 0.00 C ATOM 1086 O GLY A 71 -7.057 9.764 -6.957 1.00 0.00 O ATOM 0 H GLY A 71 -8.865 10.317 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.662 12.111 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.955 12.227 -5.168 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.446 11.766 -7.872 1.00 0.00 N ATOM 1091 CA LYS A 72 -6.963 11.415 -9.208 1.00 0.00 C ATOM 1092 C LYS A 72 -5.441 11.269 -9.230 1.00 0.00 C ATOM 1093 O LYS A 72 -4.901 10.657 -10.145 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.428 12.432 -10.267 1.00 0.00 C ATOM 1095 CG LYS A 72 -7.028 13.898 -10.015 1.00 0.00 C ATOM 1096 CD LYS A 72 -8.050 14.651 -9.155 1.00 0.00 C ATOM 1097 CE LYS A 72 -7.548 16.047 -8.786 1.00 0.00 C ATOM 1098 NZ LYS A 72 -8.464 16.693 -7.827 1.00 0.00 N ATOM 0 H LYS A 72 -7.826 12.711 -7.811 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.399 10.449 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.028 12.128 -11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.514 12.380 -10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.055 13.926 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.917 14.409 -10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.993 14.733 -9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.252 14.083 -8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.550 15.978 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.464 16.658 -9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.106 17.640 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.409 16.777 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.524 16.118 -6.963 1.00 0.00 H new ATOM 1112 N ASP A 73 -4.746 11.803 -8.224 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.308 11.654 -8.017 1.00 0.00 C ATOM 1114 C ASP A 73 -2.983 10.277 -7.416 1.00 0.00 C ATOM 1115 O ASP A 73 -1.886 10.084 -6.892 1.00 0.00 O ATOM 1116 CB ASP A 73 -2.758 12.789 -7.127 1.00 0.00 C ATOM 1117 CG ASP A 73 -3.072 14.181 -7.676 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -4.214 14.665 -7.493 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -2.169 14.794 -8.288 1.00 0.00 O ATOM 0 H ASP A 73 -5.189 12.373 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.818 11.723 -8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.179 12.695 -6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.678 12.677 -7.030 1.00 0.00 H new ATOM 1124 N ILE A 74 -3.912 9.313 -7.441 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.672 7.954 -6.993 1.00 0.00 C ATOM 1126 C ILE A 74 -2.433 7.384 -7.685 1.00 0.00 C ATOM 1127 O ILE A 74 -2.194 7.644 -8.870 1.00 0.00 O ATOM 1128 CB ILE A 74 -4.940 7.107 -7.234 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -5.040 6.043 -6.136 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -5.146 6.675 -8.699 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.275 5.152 -6.231 1.00 0.00 C ATOM 0 H ILE A 74 -4.862 9.467 -7.780 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.466 7.936 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.835 7.719 -7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.150 5.415 -6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.039 6.539 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.059 6.085 -8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.229 7.559 -9.331 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.296 6.075 -9.024 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.265 4.428 -5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.173 5.766 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.270 4.624 -7.185 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.643 6.602 -6.955 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.443 5.999 -7.508 1.00 0.00 C ATOM 1145 C GLY A 75 0.715 6.979 -7.693 1.00 0.00 C ATOM 1146 O GLY A 75 1.777 6.531 -8.122 1.00 0.00 O ATOM 0 H GLY A 75 -1.816 6.373 -5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.120 5.190 -6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.685 5.551 -8.472 1.00 0.00 H new ATOM 1150 N LYS A 76 0.562 8.265 -7.352 1.00 0.00 N ATOM 1151 CA LYS A 76 1.677 9.140 -7.034 1.00 0.00 C ATOM 1152 C LYS A 76 2.136 8.801 -5.617 1.00 0.00 C ATOM 1153 O LYS A 76 1.327 8.323 -4.820 1.00 0.00 O ATOM 1154 CB LYS A 76 1.238 10.608 -7.059 1.00 0.00 C ATOM 1155 CG LYS A 76 0.858 11.097 -8.461 1.00 0.00 C ATOM 1156 CD LYS A 76 2.055 11.785 -9.119 1.00 0.00 C ATOM 1157 CE LYS A 76 1.722 11.997 -10.591 1.00 0.00 C ATOM 1158 NZ LYS A 76 2.842 12.499 -11.408 1.00 0.00 N ATOM 0 H LYS A 76 -0.348 8.722 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 76 2.473 8.999 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.386 10.738 -6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.045 11.229 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.531 10.256 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.019 11.790 -8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.261 12.739 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.951 11.174 -9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.378 11.052 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.892 12.700 -10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.529 12.614 -12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.159 13.417 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.629 11.820 -11.372 1.00 0.00 H new ATOM 1172 N PRO A 77 3.400 9.060 -5.277 1.00 0.00 N ATOM 1173 CA PRO A 77 3.947 8.767 -3.967 1.00 0.00 C ATOM 1174 C PRO A 77 3.390 9.681 -2.872 1.00 0.00 C ATOM 1175 O PRO A 77 2.816 10.742 -3.154 1.00 0.00 O ATOM 1176 CB PRO A 77 5.464 8.829 -4.127 1.00 0.00 C ATOM 1177 CG PRO A 77 5.710 9.580 -5.430 1.00 0.00 C ATOM 1178 CD PRO A 77 4.405 9.496 -6.213 1.00 0.00 C ATOM 0 HA PRO A 77 3.649 7.777 -3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.926 9.344 -3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.895 7.829 -4.164 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.984 10.617 -5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.531 9.132 -5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.145 10.464 -6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.494 8.795 -7.043 1.00 0.00 H new ATOM 1186 N ILE A 78 3.586 9.250 -1.623 1.00 0.00 N ATOM 1187 CA ILE A 78 3.295 9.994 -0.396 1.00 0.00 C ATOM 1188 C ILE A 78 4.619 10.333 0.292 1.00 0.00 C ATOM 1189 O ILE A 78 5.659 9.794 -0.092 1.00 0.00 O ATOM 1190 CB ILE A 78 2.350 9.201 0.542 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.891 7.819 0.966 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.997 8.992 -0.142 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.295 7.322 2.291 1.00 0.00 C ATOM 0 H ILE A 78 3.972 8.325 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 78 2.770 10.916 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 78 2.262 9.805 1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.674 7.094 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.976 7.873 1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.336 8.434 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.550 9.960 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.139 8.433 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.714 6.346 2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.534 8.029 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.213 7.238 2.194 1.00 0.00 H new ATOM 1205 N GLU A 79 4.578 11.182 1.327 1.00 0.00 N ATOM 1206 CA GLU A 79 5.726 11.639 2.124 1.00 0.00 C ATOM 1207 C GLU A 79 6.659 12.515 1.262 1.00 0.00 C ATOM 1208 O GLU A 79 6.567 12.510 0.031 1.00 0.00 O ATOM 1209 CB GLU A 79 6.446 10.448 2.805 1.00 0.00 C ATOM 1210 CG GLU A 79 5.471 9.560 3.605 1.00 0.00 C ATOM 1211 CD GLU A 79 6.124 8.353 4.281 1.00 0.00 C ATOM 1212 OE1 GLU A 79 6.958 7.650 3.660 1.00 0.00 O ATOM 1213 OE2 GLU A 79 5.722 8.012 5.422 1.00 0.00 O ATOM 0 H GLU A 79 3.700 11.590 1.648 1.00 0.00 H new ATOM 0 HA GLU A 79 5.370 12.270 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.945 9.845 2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.221 10.827 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.986 10.170 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.688 9.206 2.934 1.00 0.00 H new ATOM 1220 N LYS A 80 7.537 13.327 1.865 1.00 0.00 N ATOM 1221 CA LYS A 80 8.455 14.164 1.085 1.00 0.00 C ATOM 1222 C LYS A 80 9.662 13.337 0.660 1.00 0.00 C ATOM 1223 O LYS A 80 10.742 13.432 1.249 1.00 0.00 O ATOM 1224 CB LYS A 80 8.843 15.474 1.795 1.00 0.00 C ATOM 1225 CG LYS A 80 7.837 16.601 1.513 1.00 0.00 C ATOM 1226 CD LYS A 80 8.507 17.979 1.403 1.00 0.00 C ATOM 1227 CE LYS A 80 9.114 18.274 0.014 1.00 0.00 C ATOM 1228 NZ LYS A 80 10.557 17.968 -0.124 1.00 0.00 N ATOM 0 H LYS A 80 7.630 13.421 2.876 1.00 0.00 H new ATOM 0 HA LYS A 80 7.930 14.494 0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.901 15.301 2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.836 15.784 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.306 16.385 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.093 16.626 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.772 18.749 1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.294 18.050 2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.565 17.701 -0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.959 19.328 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.921 18.396 -0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.074 18.355 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.691 16.937 -0.161 1.00 0.00 H new ATOM 1242 N GLY A 81 9.485 12.552 -0.390 1.00 0.00 N ATOM 1243 CA GLY A 81 10.560 11.992 -1.179 1.00 0.00 C ATOM 1244 C GLY A 81 10.056 11.870 -2.613 1.00 0.00 C ATOM 1245 O GLY A 81 9.036 11.204 -2.840 1.00 0.00 O ATOM 0 H GLY A 81 8.560 12.281 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.442 12.631 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.853 11.017 -0.791 1.00 0.00 H new ATOM 1249 N PRO A 82 10.697 12.509 -3.602 1.00 0.00 N ATOM 1250 CA PRO A 82 10.360 12.359 -5.012 1.00 0.00 C ATOM 1251 C PRO A 82 10.887 11.017 -5.540 1.00 0.00 C ATOM 1252 O PRO A 82 11.795 10.952 -6.374 1.00 0.00 O ATOM 1253 CB PRO A 82 10.952 13.592 -5.695 1.00 0.00 C ATOM 1254 CG PRO A 82 12.182 13.891 -4.843 1.00 0.00 C ATOM 1255 CD PRO A 82 11.764 13.479 -3.433 1.00 0.00 C ATOM 0 HA PRO A 82 9.289 12.320 -5.209 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.218 13.391 -6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.251 14.427 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.050 13.326 -5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.451 14.946 -4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 82 12.603 13.046 -2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 82 11.422 14.340 -2.860 1.00 0.00 H new ATOM 1263 N ARG A 83 10.309 9.929 -5.034 1.00 0.00 N ATOM 1264 CA ARG A 83 10.427 8.590 -5.597 1.00 0.00 C ATOM 1265 C ARG A 83 9.608 8.539 -6.890 1.00 0.00 C ATOM 1266 O ARG A 83 8.941 9.520 -7.237 1.00 0.00 O ATOM 1267 CB ARG A 83 9.901 7.573 -4.561 1.00 0.00 C ATOM 1268 CG ARG A 83 10.701 7.556 -3.243 1.00 0.00 C ATOM 1269 CD ARG A 83 11.684 6.382 -3.117 1.00 0.00 C ATOM 1270 NE ARG A 83 12.744 6.397 -4.136 1.00 0.00 N ATOM 1271 CZ ARG A 83 13.803 7.214 -4.163 1.00 0.00 C ATOM 1272 NH1 ARG A 83 13.977 8.165 -3.255 1.00 0.00 N ATOM 1273 NH2 ARG A 83 14.682 7.079 -5.141 1.00 0.00 N ATOM 0 H ARG A 83 9.729 9.958 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 83 11.464 8.344 -5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.858 7.801 -4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.923 6.576 -5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.256 8.490 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.002 7.521 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.141 6.405 -2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.132 5.445 -3.192 1.00 0.00 H new ATOM 0 HE ARG A 83 12.664 5.720 -4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 83 13.293 8.289 -2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.795 8.772 -3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 83 14.545 6.363 -5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.497 7.691 -5.182 1.00 0.00 H new ATOM 1287 N ALA A 84 9.648 7.380 -7.558 1.00 0.00 N ATOM 1288 CA ALA A 84 8.738 6.890 -8.592 1.00 0.00 C ATOM 1289 C ALA A 84 7.724 7.934 -9.074 1.00 0.00 C ATOM 1290 O ALA A 84 6.643 8.055 -8.494 1.00 0.00 O ATOM 1291 CB ALA A 84 8.003 5.655 -8.046 1.00 0.00 C ATOM 0 H ALA A 84 10.386 6.702 -7.369 1.00 0.00 H new ATOM 0 HA ALA A 84 9.341 6.642 -9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.318 5.274 -8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.729 4.883 -7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.440 5.931 -7.155 1.00 0.00 H new ATOM 1297 N LYS A 85 8.041 8.684 -10.139 1.00 0.00 N ATOM 1298 CA LYS A 85 7.028 9.486 -10.833 1.00 0.00 C ATOM 1299 C LYS A 85 6.179 8.526 -11.668 1.00 0.00 C ATOM 1300 O LYS A 85 6.254 8.494 -12.898 1.00 0.00 O ATOM 1301 CB LYS A 85 7.623 10.629 -11.677 1.00 0.00 C ATOM 1302 CG LYS A 85 8.101 11.858 -10.880 1.00 0.00 C ATOM 1303 CD LYS A 85 9.461 11.704 -10.181 1.00 0.00 C ATOM 1304 CE LYS A 85 10.555 11.620 -11.247 1.00 0.00 C ATOM 1305 NZ LYS A 85 11.891 11.318 -10.709 1.00 0.00 N ATOM 0 H LYS A 85 8.979 8.751 -10.534 1.00 0.00 H new ATOM 0 HA LYS A 85 6.409 9.999 -10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.465 10.237 -12.247 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.873 10.954 -12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.154 12.710 -11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.350 12.096 -10.127 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.643 12.550 -9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.468 10.807 -9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.284 10.852 -11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.597 12.567 -11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.578 11.277 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.172 12.062 -10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.869 10.401 -10.219 1.00 0.00 H new ATOM 1319 N SER A 86 5.415 7.683 -10.985 1.00 0.00 N ATOM 1320 CA SER A 86 4.231 7.084 -11.546 1.00 0.00 C ATOM 1321 C SER A 86 3.138 8.153 -11.526 1.00 0.00 C ATOM 1322 O SER A 86 3.113 9.032 -10.659 1.00 0.00 O ATOM 1323 CB SER A 86 3.870 5.834 -10.747 1.00 0.00 C ATOM 1324 OG SER A 86 4.955 4.913 -10.767 1.00 0.00 O ATOM 0 H SER A 86 5.608 7.401 -10.024 1.00 0.00 H new ATOM 0 HA SER A 86 4.375 6.755 -12.575 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.632 6.106 -9.719 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.979 5.368 -11.168 1.00 0.00 H new ATOM 0 HG SER A 86 4.716 4.115 -10.251 1.00 0.00 H new ATOM 1330 N GLY A 87 2.233 8.076 -12.490 1.00 0.00 N ATOM 1331 CA GLY A 87 1.184 9.046 -12.698 1.00 0.00 C ATOM 1332 C GLY A 87 0.252 8.482 -13.754 1.00 0.00 C ATOM 1333 O GLY A 87 0.387 8.861 -14.916 1.00 0.00 O ATOM 0 H GLY A 87 2.213 7.312 -13.166 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.644 9.234 -11.770 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.601 9.999 -13.023 1.00 0.00 H new ATOM 1337 N PRO A 88 -0.642 7.548 -13.394 1.00 0.00 N ATOM 1338 CA PRO A 88 -1.591 6.980 -14.341 1.00 0.00 C ATOM 1339 C PRO A 88 -2.532 8.057 -14.896 1.00 0.00 C ATOM 1340 O PRO A 88 -2.585 9.178 -14.379 1.00 0.00 O ATOM 1341 CB PRO A 88 -2.333 5.896 -13.552 1.00 0.00 C ATOM 1342 CG PRO A 88 -2.233 6.366 -12.101 1.00 0.00 C ATOM 1343 CD PRO A 88 -0.846 6.997 -12.062 1.00 0.00 C ATOM 0 HA PRO A 88 -1.103 6.559 -15.220 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.371 5.808 -13.873 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.873 4.917 -13.688 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.014 7.084 -11.851 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.324 5.538 -11.398 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.788 7.775 -11.301 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.083 6.257 -11.820 1.00 0.00 H new ATOM 1351 N SER A 89 -3.313 7.721 -15.918 1.00 0.00 N ATOM 1352 CA SER A 89 -4.329 8.586 -16.496 1.00 0.00 C ATOM 1353 C SER A 89 -5.492 7.715 -16.961 1.00 0.00 C ATOM 1354 O SER A 89 -5.267 6.569 -17.367 1.00 0.00 O ATOM 1355 CB SER A 89 -3.690 9.376 -17.646 1.00 0.00 C ATOM 1356 OG SER A 89 -4.597 10.275 -18.255 1.00 0.00 O ATOM 0 H SER A 89 -3.253 6.813 -16.378 1.00 0.00 H new ATOM 0 HA SER A 89 -4.718 9.303 -15.773 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.832 9.931 -17.268 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.314 8.680 -18.396 1.00 0.00 H new ATOM 0 HG SER A 89 -4.145 10.756 -18.979 1.00 0.00 H new ATOM 1362 N SER A 90 -6.708 8.261 -16.915 1.00 0.00 N ATOM 1363 CA SER A 90 -7.926 7.579 -17.318 1.00 0.00 C ATOM 1364 C SER A 90 -8.900 8.569 -17.966 1.00 0.00 C ATOM 1365 O SER A 90 -8.810 9.777 -17.729 1.00 0.00 O ATOM 1366 CB SER A 90 -8.588 6.935 -16.092 1.00 0.00 C ATOM 1367 OG SER A 90 -7.670 6.270 -15.233 1.00 0.00 O ATOM 0 H SER A 90 -6.871 9.213 -16.588 1.00 0.00 H new ATOM 0 HA SER A 90 -7.672 6.806 -18.044 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.111 7.705 -15.525 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.340 6.221 -16.428 1.00 0.00 H new ATOM 0 HG SER A 90 -8.154 5.884 -14.473 1.00 0.00 H new ATOM 1373 N GLY A 91 -9.848 8.043 -18.744 1.00 0.00 N ATOM 1374 CA GLY A 91 -11.055 8.726 -19.171 1.00 0.00 C ATOM 1375 C GLY A 91 -12.105 8.376 -18.150 1.00 0.00 C ATOM 1376 O GLY A 91 -12.587 7.222 -18.163 1.00 0.00 O ATOM 0 H GLY A 91 -9.786 7.091 -19.104 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.899 9.804 -19.218 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.355 8.403 -20.168 1.00 0.00 H new TER 1380 GLY A 91