USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 677 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 84 HIS : no HD1:sc= -1.54 K(o=-2.8,f=-5.5!) USER MOD Set 1.2: A 86 THR OG1 : rot 90:sc= -1.3 USER MOD Set 2.1: A 20 SER OG : rot -34:sc= 1.11 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.945 USER MOD Single : A 4 THR OG1 : rot 0:sc= 0.684 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot -118:sc= 0.269 USER MOD Single : A 11 SER OG : rot -99:sc= 0.832 USER MOD Single : A 13 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.16) USER MOD Single : A 17 ASN : amide:sc= -3.76! C(o=-3.8!,f=-7.2!) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= -0.131 (180deg=-0.673) USER MOD Single : A 21 ASN : amide:sc= 0.199 K(o=0.2,f=-2.9!) USER MOD Single : A 24 ASN : amide:sc= -2.22! C(o=-2.2!,f=-3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0916 USER MOD Single : A 31 HIS : no HD1:sc= -0.095 X(o=-0.095,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -138:sc= 0.192 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.417 X(o=-0.42,f=0.0057) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0625 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 28:sc= 1.3 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 68:sc= 0.271 USER MOD Single : A 73 THR OG1 : rot -72:sc= 1.51 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -159:sc= 0.0964 USER MOD Single : A 83 ASN : amide:sc= -0.238 K(o=-0.24,f=-2.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= 0.0554! (180deg=-0.438!) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -16.973 -5.301 -4.660 1.00 0.00 N ATOM 37 CA ARG A 3 -16.018 -4.942 -5.694 1.00 0.00 C ATOM 38 C ARG A 3 -14.619 -5.182 -5.171 1.00 0.00 C ATOM 39 O ARG A 3 -14.330 -4.867 -4.017 1.00 0.00 O ATOM 40 CB ARG A 3 -16.154 -3.480 -6.102 1.00 0.00 C ATOM 41 CG ARG A 3 -14.944 -3.001 -6.918 1.00 0.00 C ATOM 42 CD ARG A 3 -15.300 -2.361 -8.270 1.00 0.00 C ATOM 43 NE ARG A 3 -15.706 -3.373 -9.240 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.471 -3.131 -10.299 1.00 0.00 C ATOM 45 NH1 ARG A 3 -16.932 -1.907 -10.531 1.00 0.00 N ATOM 46 NH2 ARG A 3 -16.766 -4.118 -11.135 1.00 0.00 N ATOM 0 HA ARG A 3 -16.216 -5.557 -6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.063 -3.349 -6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.259 -2.862 -5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.384 -2.278 -6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.282 -3.849 -7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -16.106 -1.640 -8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.441 -1.810 -8.653 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.381 -4.329 -9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.699 -1.145 -9.894 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.519 -1.729 -11.346 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.406 -5.057 -10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.353 -3.938 -11.950 1.00 0.00 H new ATOM 60 N THR A 4 -13.758 -5.737 -6.006 1.00 0.00 N ATOM 61 CA THR A 4 -12.419 -6.065 -5.577 1.00 0.00 C ATOM 62 C THR A 4 -11.571 -4.800 -5.440 1.00 0.00 C ATOM 63 O THR A 4 -11.391 -4.062 -6.416 1.00 0.00 O ATOM 64 CB THR A 4 -11.730 -7.054 -6.551 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.347 -6.380 -7.757 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.650 -8.210 -6.911 1.00 0.00 C ATOM 0 H THR A 4 -13.965 -5.967 -6.978 1.00 0.00 H new ATOM 0 HA THR A 4 -12.503 -6.549 -4.604 1.00 0.00 H new ATOM 0 HB THR A 4 -10.848 -7.446 -6.044 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.604 -5.436 -7.700 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.136 -8.885 -7.595 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.925 -8.752 -6.006 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.550 -7.824 -7.390 1.00 0.00 H new ATOM 74 N PRO A 5 -11.055 -4.515 -4.230 1.00 0.00 N ATOM 75 CA PRO A 5 -10.157 -3.389 -4.018 1.00 0.00 C ATOM 76 C PRO A 5 -8.832 -3.642 -4.715 1.00 0.00 C ATOM 77 O PRO A 5 -8.185 -4.666 -4.487 1.00 0.00 O ATOM 78 CB PRO A 5 -9.956 -3.320 -2.501 1.00 0.00 C ATOM 79 CG PRO A 5 -10.927 -4.288 -1.906 1.00 0.00 C ATOM 80 CD PRO A 5 -11.287 -5.270 -2.991 1.00 0.00 C ATOM 0 HA PRO A 5 -10.559 -2.459 -4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.932 -3.581 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.136 -2.311 -2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.486 -4.801 -1.051 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.815 -3.770 -1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.666 -6.165 -2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.324 -5.597 -2.909 1.00 0.00 H new ATOM 88 N LYS A 6 -8.436 -2.721 -5.566 1.00 0.00 N ATOM 89 CA LYS A 6 -7.265 -2.921 -6.392 1.00 0.00 C ATOM 90 C LYS A 6 -6.038 -2.348 -5.700 1.00 0.00 C ATOM 91 O LYS A 6 -6.136 -1.371 -4.951 1.00 0.00 O ATOM 92 CB LYS A 6 -7.489 -2.267 -7.759 1.00 0.00 C ATOM 93 CG LYS A 6 -6.422 -2.580 -8.792 1.00 0.00 C ATOM 94 CD LYS A 6 -6.798 -2.004 -10.146 1.00 0.00 C ATOM 95 CE LYS A 6 -5.774 -2.351 -11.212 1.00 0.00 C ATOM 96 NZ LYS A 6 -6.194 -1.861 -12.551 1.00 0.00 N ATOM 0 H LYS A 6 -8.907 -1.827 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.097 -3.987 -6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.456 -2.588 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.541 -1.186 -7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.465 -2.169 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.294 -3.659 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.775 -2.384 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.888 -0.921 -10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.811 -1.913 -10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.635 -3.432 -11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.472 -2.115 -13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.101 -2.298 -12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.303 -0.827 -12.524 1.00 0.00 H new ATOM 110 N ILE A 7 -4.889 -2.956 -5.949 1.00 0.00 N ATOM 111 CA ILE A 7 -3.682 -2.615 -5.221 1.00 0.00 C ATOM 112 C ILE A 7 -2.913 -1.522 -5.933 1.00 0.00 C ATOM 113 O ILE A 7 -2.465 -1.698 -7.069 1.00 0.00 O ATOM 114 CB ILE A 7 -2.743 -3.827 -5.062 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.545 -5.110 -4.842 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.776 -3.598 -3.908 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.491 -5.042 -3.668 1.00 0.00 C ATOM 0 H ILE A 7 -4.769 -3.687 -6.650 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.005 -2.276 -4.237 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.169 -3.939 -5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.115 -5.330 -5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.853 -5.939 -4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.119 -4.462 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.178 -2.708 -4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.338 -3.460 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.024 -5.988 -3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.925 -4.853 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.207 -4.235 -3.824 1.00 0.00 H new ATOM 129 N GLN A 8 -2.764 -0.400 -5.265 1.00 0.00 N ATOM 130 CA GLN A 8 -1.925 0.666 -5.759 1.00 0.00 C ATOM 131 C GLN A 8 -0.820 0.936 -4.749 1.00 0.00 C ATOM 132 O GLN A 8 -1.087 1.323 -3.615 1.00 0.00 O ATOM 133 CB GLN A 8 -2.764 1.924 -5.982 1.00 0.00 C ATOM 134 CG GLN A 8 -3.810 1.781 -7.076 1.00 0.00 C ATOM 135 CD GLN A 8 -4.843 2.892 -7.037 1.00 0.00 C ATOM 136 OE1 GLN A 8 -5.889 2.769 -6.397 1.00 0.00 O ATOM 137 NE2 GLN A 8 -4.560 3.990 -7.720 1.00 0.00 N ATOM 0 H GLN A 8 -3.217 -0.203 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.479 0.376 -6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.262 2.187 -5.049 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.101 2.752 -6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.317 1.781 -8.048 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.311 0.819 -6.972 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.684 4.057 -8.238 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.218 4.770 -7.728 1.00 0.00 H new ATOM 146 N VAL A 9 0.416 0.717 -5.158 1.00 0.00 N ATOM 147 CA VAL A 9 1.557 0.949 -4.286 1.00 0.00 C ATOM 148 C VAL A 9 2.690 1.603 -5.062 1.00 0.00 C ATOM 149 O VAL A 9 3.096 1.125 -6.124 1.00 0.00 O ATOM 150 CB VAL A 9 2.038 -0.360 -3.585 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.036 -1.542 -4.538 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.425 -0.181 -2.975 1.00 0.00 C ATOM 0 H VAL A 9 0.658 0.378 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 9 1.236 1.628 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 9 1.329 -0.570 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.377 -2.434 -4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.026 -1.706 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.704 -1.336 -5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.733 -1.109 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.137 0.075 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.397 0.619 -2.235 1.00 0.00 H new ATOM 162 N TYR A 10 3.177 2.709 -4.529 1.00 0.00 N ATOM 163 CA TYR A 10 4.211 3.494 -5.174 1.00 0.00 C ATOM 164 C TYR A 10 4.890 4.367 -4.129 1.00 0.00 C ATOM 165 O TYR A 10 4.444 4.429 -2.986 1.00 0.00 O ATOM 166 CB TYR A 10 3.617 4.343 -6.314 1.00 0.00 C ATOM 167 CG TYR A 10 2.523 5.301 -5.887 1.00 0.00 C ATOM 168 CD1 TYR A 10 2.826 6.573 -5.419 1.00 0.00 C ATOM 169 CD2 TYR A 10 1.186 4.935 -5.965 1.00 0.00 C ATOM 170 CE1 TYR A 10 1.830 7.450 -5.037 1.00 0.00 C ATOM 171 CE2 TYR A 10 0.184 5.806 -5.585 1.00 0.00 C ATOM 172 CZ TYR A 10 0.511 7.061 -5.122 1.00 0.00 C ATOM 173 OH TYR A 10 -0.485 7.927 -4.737 1.00 0.00 O ATOM 0 H TYR A 10 2.865 3.088 -3.635 1.00 0.00 H new ATOM 0 HA TYR A 10 4.953 2.831 -5.619 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.420 4.914 -6.779 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.218 3.674 -7.077 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.859 6.882 -5.353 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.925 3.952 -6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.083 8.435 -4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.851 5.504 -5.651 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.986 7.538 -3.990 1.00 0.00 H new ATOM 183 N SER A 11 5.976 5.010 -4.505 1.00 0.00 N ATOM 184 CA SER A 11 6.695 5.864 -3.582 1.00 0.00 C ATOM 185 C SER A 11 6.048 7.241 -3.549 1.00 0.00 C ATOM 186 O SER A 11 5.628 7.756 -4.585 1.00 0.00 O ATOM 187 CB SER A 11 8.156 5.965 -4.001 1.00 0.00 C ATOM 188 OG SER A 11 8.931 6.632 -3.023 1.00 0.00 O ATOM 0 H SER A 11 6.379 4.958 -5.440 1.00 0.00 H new ATOM 0 HA SER A 11 6.653 5.435 -2.581 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.558 4.965 -4.166 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.228 6.498 -4.949 1.00 0.00 H new ATOM 0 HG SER A 11 9.054 7.568 -3.285 1.00 0.00 H new ATOM 194 N ARG A 12 5.957 7.820 -2.353 1.00 0.00 N ATOM 195 CA ARG A 12 5.306 9.123 -2.178 1.00 0.00 C ATOM 196 C ARG A 12 6.008 10.177 -3.033 1.00 0.00 C ATOM 197 O ARG A 12 5.360 11.000 -3.674 1.00 0.00 O ATOM 198 CB ARG A 12 5.323 9.516 -0.678 1.00 0.00 C ATOM 199 CG ARG A 12 4.448 10.712 -0.277 1.00 0.00 C ATOM 200 CD ARG A 12 5.027 12.035 -0.750 1.00 0.00 C ATOM 201 NE ARG A 12 6.332 12.314 -0.148 1.00 0.00 N ATOM 202 CZ ARG A 12 6.534 13.211 0.819 1.00 0.00 C ATOM 203 NH1 ARG A 12 5.518 13.915 1.304 1.00 0.00 N ATOM 204 NH2 ARG A 12 7.759 13.416 1.294 1.00 0.00 N ATOM 0 H ARG A 12 6.323 7.412 -1.493 1.00 0.00 H new ATOM 0 HA ARG A 12 4.268 9.061 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.008 8.651 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.352 9.735 -0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.449 10.585 -0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.339 10.732 0.807 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.125 12.019 -1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.336 12.841 -0.504 1.00 0.00 H new ATOM 0 HE ARG A 12 7.138 11.790 -0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.577 13.771 0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.678 14.599 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.546 12.887 0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.911 14.102 2.033 1.00 0.00 H new ATOM 218 N HIS A 13 7.332 10.142 -3.028 1.00 0.00 N ATOM 219 CA HIS A 13 8.137 11.029 -3.863 1.00 0.00 C ATOM 220 C HIS A 13 9.269 10.218 -4.517 1.00 0.00 C ATOM 221 O HIS A 13 9.342 9.013 -4.272 1.00 0.00 O ATOM 222 CB HIS A 13 8.686 12.197 -3.025 1.00 0.00 C ATOM 223 CG HIS A 13 7.805 13.414 -3.022 1.00 0.00 C ATOM 224 ND1 HIS A 13 8.080 14.489 -2.212 1.00 0.00 N ATOM 225 CD2 HIS A 13 6.682 13.678 -3.737 1.00 0.00 C ATOM 226 CE1 HIS A 13 7.129 15.376 -2.449 1.00 0.00 C ATOM 227 NE2 HIS A 13 6.261 14.928 -3.364 1.00 0.00 N ATOM 0 H HIS A 13 7.878 9.503 -2.450 1.00 0.00 H new ATOM 0 HA HIS A 13 7.519 11.458 -4.652 1.00 0.00 H new ATOM 0 HB2 HIS A 13 8.826 11.860 -1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 13 9.669 12.474 -3.406 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.211 13.029 -4.460 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.061 16.340 -1.966 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.442 15.423 -3.717 1.00 0.00 H new ATOM 235 N PRO A 14 10.157 10.825 -5.360 1.00 0.00 N ATOM 236 CA PRO A 14 11.244 10.089 -6.031 1.00 0.00 C ATOM 237 C PRO A 14 11.996 9.145 -5.088 1.00 0.00 C ATOM 238 O PRO A 14 12.635 9.580 -4.127 1.00 0.00 O ATOM 239 CB PRO A 14 12.191 11.187 -6.547 1.00 0.00 C ATOM 240 CG PRO A 14 11.631 12.500 -6.052 1.00 0.00 C ATOM 241 CD PRO A 14 10.174 12.249 -5.749 1.00 0.00 C ATOM 0 HA PRO A 14 10.848 9.449 -6.820 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.204 11.032 -6.176 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.245 11.173 -7.636 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.161 12.838 -5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.743 13.280 -6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.812 12.891 -4.946 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.543 12.438 -6.617 1.00 0.00 H new ATOM 249 N ALA A 15 11.907 7.854 -5.377 1.00 0.00 N ATOM 250 CA ALA A 15 12.488 6.829 -4.537 1.00 0.00 C ATOM 251 C ALA A 15 13.929 6.547 -4.930 1.00 0.00 C ATOM 252 O ALA A 15 14.249 6.417 -6.113 1.00 0.00 O ATOM 253 CB ALA A 15 11.664 5.562 -4.637 1.00 0.00 C ATOM 0 H ALA A 15 11.428 7.493 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 15 12.485 7.186 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.103 4.791 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.645 5.764 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.650 5.218 -5.671 1.00 0.00 H new ATOM 259 N GLU A 16 14.779 6.423 -3.930 1.00 0.00 N ATOM 260 CA GLU A 16 16.197 6.235 -4.148 1.00 0.00 C ATOM 261 C GLU A 16 16.714 5.056 -3.322 1.00 0.00 C ATOM 262 O GLU A 16 16.407 4.939 -2.137 1.00 0.00 O ATOM 263 CB GLU A 16 16.937 7.513 -3.764 1.00 0.00 C ATOM 264 CG GLU A 16 18.323 7.610 -4.365 1.00 0.00 C ATOM 265 CD GLU A 16 18.286 7.860 -5.857 1.00 0.00 C ATOM 266 OE1 GLU A 16 18.148 9.036 -6.263 1.00 0.00 O ATOM 267 OE2 GLU A 16 18.397 6.890 -6.633 1.00 0.00 O ATOM 0 H GLU A 16 14.506 6.450 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 16 16.373 6.015 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.350 8.374 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.016 7.566 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.872 8.415 -3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.868 6.687 -4.167 1.00 0.00 H new ATOM 274 N ASN A 17 17.490 4.188 -3.956 1.00 0.00 N ATOM 275 CA ASN A 17 18.082 3.035 -3.279 1.00 0.00 C ATOM 276 C ASN A 17 19.329 3.464 -2.518 1.00 0.00 C ATOM 277 O ASN A 17 20.178 4.184 -3.047 1.00 0.00 O ATOM 278 CB ASN A 17 18.394 1.922 -4.297 1.00 0.00 C ATOM 279 CG ASN A 17 19.566 1.026 -3.909 1.00 0.00 C ATOM 280 OD1 ASN A 17 19.741 0.658 -2.749 1.00 0.00 O ATOM 281 ND2 ASN A 17 20.389 0.673 -4.887 1.00 0.00 N ATOM 0 H ASN A 17 17.727 4.259 -4.945 1.00 0.00 H new ATOM 0 HA ASN A 17 17.370 2.633 -2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 17 17.506 1.303 -4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 17 18.606 2.379 -5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 17 21.194 0.080 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.217 0.995 -5.840 1.00 0.00 H new ATOM 288 N GLY A 18 19.420 3.024 -1.272 1.00 0.00 N ATOM 289 CA GLY A 18 20.485 3.460 -0.402 1.00 0.00 C ATOM 290 C GLY A 18 20.148 4.800 0.185 1.00 0.00 C ATOM 291 O GLY A 18 21.025 5.570 0.574 1.00 0.00 O ATOM 0 H GLY A 18 18.766 2.366 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.637 2.732 0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.420 3.522 -0.959 1.00 0.00 H new ATOM 295 N LYS A 19 18.853 5.061 0.264 1.00 0.00 N ATOM 296 CA LYS A 19 18.355 6.357 0.660 1.00 0.00 C ATOM 297 C LYS A 19 16.990 6.211 1.297 1.00 0.00 C ATOM 298 O LYS A 19 16.219 5.322 0.937 1.00 0.00 O ATOM 299 CB LYS A 19 18.277 7.252 -0.568 1.00 0.00 C ATOM 300 CG LYS A 19 18.152 8.730 -0.254 1.00 0.00 C ATOM 301 CD LYS A 19 19.294 9.224 0.605 1.00 0.00 C ATOM 302 CE LYS A 19 19.433 10.742 0.560 1.00 0.00 C ATOM 303 NZ LYS A 19 19.708 11.234 -0.817 1.00 0.00 N ATOM 0 H LYS A 19 18.124 4.379 0.055 1.00 0.00 H new ATOM 0 HA LYS A 19 19.028 6.806 1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.169 7.095 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.423 6.947 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.126 9.298 -1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.207 8.913 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.136 8.906 1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.224 8.765 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.518 11.201 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.240 11.052 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.185 12.157 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.319 10.554 -1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.812 11.336 -1.335 1.00 0.00 H new ATOM 317 N SER A 20 16.704 7.072 2.247 1.00 0.00 N ATOM 318 CA SER A 20 15.455 7.008 2.971 1.00 0.00 C ATOM 319 C SER A 20 14.360 7.756 2.222 1.00 0.00 C ATOM 320 O SER A 20 14.596 8.816 1.642 1.00 0.00 O ATOM 321 CB SER A 20 15.641 7.581 4.367 1.00 0.00 C ATOM 322 OG SER A 20 16.533 6.781 5.130 1.00 0.00 O ATOM 0 H SER A 20 17.323 7.829 2.537 1.00 0.00 H new ATOM 0 HA SER A 20 15.149 5.965 3.056 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.027 8.598 4.298 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.677 7.639 4.872 1.00 0.00 H new ATOM 0 HG SER A 20 16.418 5.839 4.886 1.00 0.00 H new ATOM 328 N ASN A 21 13.168 7.191 2.225 1.00 0.00 N ATOM 329 CA ASN A 21 12.031 7.791 1.537 1.00 0.00 C ATOM 330 C ASN A 21 10.741 7.416 2.250 1.00 0.00 C ATOM 331 O ASN A 21 10.779 6.842 3.343 1.00 0.00 O ATOM 332 CB ASN A 21 11.979 7.309 0.083 1.00 0.00 C ATOM 333 CG ASN A 21 11.379 8.362 -0.846 1.00 0.00 C ATOM 334 OD1 ASN A 21 10.182 8.338 -1.117 1.00 0.00 O ATOM 335 ND2 ASN A 21 12.173 9.335 -1.292 1.00 0.00 N ATOM 0 H ASN A 21 12.957 6.312 2.698 1.00 0.00 H new ATOM 0 HA ASN A 21 12.145 8.875 1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.986 7.060 -0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.388 6.395 0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.789 10.081 -1.872 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.165 9.334 -1.054 1.00 0.00 H new ATOM 342 N PHE A 22 9.598 7.713 1.635 1.00 0.00 N ATOM 343 CA PHE A 22 8.310 7.439 2.247 1.00 0.00 C ATOM 344 C PHE A 22 7.462 6.594 1.300 1.00 0.00 C ATOM 345 O PHE A 22 7.208 6.994 0.163 1.00 0.00 O ATOM 346 CB PHE A 22 7.578 8.747 2.570 1.00 0.00 C ATOM 347 CG PHE A 22 8.148 9.524 3.726 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.384 9.745 4.858 1.00 0.00 C ATOM 349 CD2 PHE A 22 9.435 10.037 3.682 1.00 0.00 C ATOM 350 CE1 PHE A 22 7.888 10.460 5.925 1.00 0.00 C ATOM 351 CE2 PHE A 22 9.947 10.753 4.747 1.00 0.00 C ATOM 352 CZ PHE A 22 9.171 10.964 5.871 1.00 0.00 C ATOM 0 H PHE A 22 9.543 8.144 0.712 1.00 0.00 H new ATOM 0 HA PHE A 22 8.473 6.893 3.176 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.590 9.381 1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.534 8.519 2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.379 9.352 4.907 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.044 9.875 2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.279 10.625 6.801 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.952 11.147 4.701 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.568 11.522 6.706 1.00 0.00 H new ATOM 362 N LEU A 23 7.034 5.429 1.767 1.00 0.00 N ATOM 363 CA LEU A 23 6.230 4.526 0.951 1.00 0.00 C ATOM 364 C LEU A 23 4.792 5.003 0.921 1.00 0.00 C ATOM 365 O LEU A 23 4.372 5.784 1.774 1.00 0.00 O ATOM 366 CB LEU A 23 6.272 3.112 1.531 1.00 0.00 C ATOM 367 CG LEU A 23 6.601 1.961 0.556 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.534 0.629 1.290 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.667 1.933 -0.653 1.00 0.00 C ATOM 0 H LEU A 23 7.230 5.086 2.707 1.00 0.00 H new ATOM 0 HA LEU A 23 6.637 4.516 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.010 3.097 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.303 2.904 1.985 1.00 0.00 H new ATOM 0 HG LEU A 23 7.610 2.133 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.767 -0.180 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.256 0.627 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.531 0.485 1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.942 1.105 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.639 1.803 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.753 2.871 -1.201 1.00 0.00 H new ATOM 381 N ASN A 24 4.051 4.548 -0.062 1.00 0.00 N ATOM 382 CA ASN A 24 2.637 4.837 -0.143 1.00 0.00 C ATOM 383 C ASN A 24 1.881 3.629 -0.672 1.00 0.00 C ATOM 384 O ASN A 24 2.216 3.081 -1.724 1.00 0.00 O ATOM 385 CB ASN A 24 2.390 6.059 -1.031 1.00 0.00 C ATOM 386 CG ASN A 24 0.922 6.309 -1.292 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.346 5.780 -2.240 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.313 7.134 -0.457 1.00 0.00 N ATOM 0 H ASN A 24 4.407 3.971 -0.824 1.00 0.00 H new ATOM 0 HA ASN A 24 2.270 5.062 0.858 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.825 6.939 -0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.905 5.921 -1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.675 7.354 -0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.831 7.550 0.317 1.00 0.00 H new ATOM 395 N CYS A 25 0.878 3.209 0.071 1.00 0.00 N ATOM 396 CA CYS A 25 0.018 2.126 -0.355 1.00 0.00 C ATOM 397 C CYS A 25 -1.416 2.626 -0.315 1.00 0.00 C ATOM 398 O CYS A 25 -1.923 3.023 0.738 1.00 0.00 O ATOM 399 CB CYS A 25 0.216 0.907 0.547 1.00 0.00 C ATOM 400 SG CYS A 25 -0.204 -0.685 -0.239 1.00 0.00 S ATOM 0 H CYS A 25 0.638 3.605 0.980 1.00 0.00 H new ATOM 0 HA CYS A 25 0.263 1.813 -1.370 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.256 0.875 0.872 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.394 1.029 1.442 1.00 0.00 H new ATOM 405 N TYR A 26 -2.054 2.618 -1.470 1.00 0.00 N ATOM 406 CA TYR A 26 -3.381 3.173 -1.629 1.00 0.00 C ATOM 407 C TYR A 26 -4.294 2.080 -2.120 1.00 0.00 C ATOM 408 O TYR A 26 -4.290 1.744 -3.302 1.00 0.00 O ATOM 409 CB TYR A 26 -3.377 4.308 -2.662 1.00 0.00 C ATOM 410 CG TYR A 26 -3.494 5.721 -2.116 1.00 0.00 C ATOM 411 CD1 TYR A 26 -4.655 6.167 -1.490 1.00 0.00 C ATOM 412 CD2 TYR A 26 -2.461 6.632 -2.288 1.00 0.00 C ATOM 413 CE1 TYR A 26 -4.773 7.474 -1.052 1.00 0.00 C ATOM 414 CE2 TYR A 26 -2.569 7.934 -1.842 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.726 8.351 -1.228 1.00 0.00 C ATOM 416 OH TYR A 26 -3.838 9.652 -0.796 1.00 0.00 O ATOM 0 H TYR A 26 -1.664 2.225 -2.326 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.718 3.571 -0.672 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.455 4.241 -3.240 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.201 4.141 -3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.477 5.482 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.554 6.316 -2.781 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.683 7.805 -0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.748 8.622 -1.975 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.010 10.136 -0.996 1.00 0.00 H new ATOM 426 N VAL A 27 -5.066 1.511 -1.232 1.00 0.00 N ATOM 427 CA VAL A 27 -5.990 0.486 -1.642 1.00 0.00 C ATOM 428 C VAL A 27 -7.368 1.100 -1.791 1.00 0.00 C ATOM 429 O VAL A 27 -7.957 1.566 -0.816 1.00 0.00 O ATOM 430 CB VAL A 27 -6.031 -0.695 -0.658 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.627 -1.906 -1.345 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.644 -1.015 -0.121 1.00 0.00 C ATOM 0 H VAL A 27 -5.075 1.734 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.651 0.083 -2.596 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.656 -0.418 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.656 -2.743 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.639 -1.675 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.015 -2.173 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.707 -1.854 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.985 -1.276 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.245 -0.144 0.399 1.00 0.00 H new ATOM 442 N SER A 28 -7.864 1.129 -3.017 1.00 0.00 N ATOM 443 CA SER A 28 -9.111 1.800 -3.317 1.00 0.00 C ATOM 444 C SER A 28 -9.823 1.062 -4.444 1.00 0.00 C ATOM 445 O SER A 28 -9.332 0.043 -4.938 1.00 0.00 O ATOM 446 CB SER A 28 -8.848 3.262 -3.703 1.00 0.00 C ATOM 447 OG SER A 28 -10.054 4.013 -3.752 1.00 0.00 O ATOM 0 H SER A 28 -7.416 0.692 -3.823 1.00 0.00 H new ATOM 0 HA SER A 28 -9.749 1.795 -2.433 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.166 3.713 -2.982 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.355 3.300 -4.674 1.00 0.00 H new ATOM 0 HG SER A 28 -9.852 4.940 -3.999 1.00 0.00 H new ATOM 453 N GLY A 29 -10.974 1.571 -4.849 1.00 0.00 N ATOM 454 CA GLY A 29 -11.784 0.879 -5.823 1.00 0.00 C ATOM 455 C GLY A 29 -12.867 0.085 -5.142 1.00 0.00 C ATOM 456 O GLY A 29 -13.464 -0.806 -5.729 1.00 0.00 O ATOM 0 H GLY A 29 -11.362 2.455 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.230 1.598 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.158 0.215 -6.419 1.00 0.00 H new ATOM 460 N PHE A 30 -13.112 0.427 -3.890 1.00 0.00 N ATOM 461 CA PHE A 30 -14.117 -0.236 -3.079 1.00 0.00 C ATOM 462 C PHE A 30 -14.816 0.828 -2.240 1.00 0.00 C ATOM 463 O PHE A 30 -14.292 1.936 -2.110 1.00 0.00 O ATOM 464 CB PHE A 30 -13.466 -1.282 -2.161 1.00 0.00 C ATOM 465 CG PHE A 30 -12.683 -0.669 -1.034 1.00 0.00 C ATOM 466 CD1 PHE A 30 -13.148 -0.744 0.268 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.498 0.001 -1.278 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.446 -0.158 1.302 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.791 0.583 -0.248 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.265 0.509 1.044 1.00 0.00 C ATOM 0 H PHE A 30 -12.617 1.176 -3.405 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.832 -0.751 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.241 -1.928 -1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.805 -1.915 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.070 -1.267 0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.122 0.069 -2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.821 -0.221 2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.864 1.098 -0.454 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.715 0.971 1.851 1.00 0.00 H new ATOM 480 N HIS A 31 -15.975 0.526 -1.677 1.00 0.00 N ATOM 481 CA HIS A 31 -16.668 1.497 -0.845 1.00 0.00 C ATOM 482 C HIS A 31 -17.702 0.811 0.044 1.00 0.00 C ATOM 483 O HIS A 31 -18.027 -0.360 -0.179 1.00 0.00 O ATOM 484 CB HIS A 31 -17.329 2.583 -1.715 1.00 0.00 C ATOM 485 CG HIS A 31 -18.270 2.056 -2.761 1.00 0.00 C ATOM 486 ND1 HIS A 31 -17.943 2.088 -4.097 1.00 0.00 N ATOM 487 CD2 HIS A 31 -19.508 1.524 -2.621 1.00 0.00 C ATOM 488 CE1 HIS A 31 -18.985 1.579 -4.734 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.954 1.223 -3.881 1.00 0.00 N ATOM 0 H HIS A 31 -16.451 -0.371 -1.778 1.00 0.00 H new ATOM 0 HA HIS A 31 -15.934 1.977 -0.199 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -17.874 3.268 -1.066 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -16.547 3.163 -2.206 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.041 1.367 -1.695 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.046 1.465 -5.806 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -20.853 0.807 -4.123 1.00 0.00 H new ATOM 497 N PRO A 32 -18.237 1.506 1.071 1.00 0.00 N ATOM 498 CA PRO A 32 -17.796 2.860 1.484 1.00 0.00 C ATOM 499 C PRO A 32 -16.337 2.908 1.976 1.00 0.00 C ATOM 500 O PRO A 32 -15.477 3.515 1.343 1.00 0.00 O ATOM 501 CB PRO A 32 -18.743 3.210 2.640 1.00 0.00 C ATOM 502 CG PRO A 32 -19.914 2.303 2.478 1.00 0.00 C ATOM 503 CD PRO A 32 -19.378 1.036 1.876 1.00 0.00 C ATOM 0 HA PRO A 32 -17.831 3.553 0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.259 3.058 3.605 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.047 4.256 2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -20.391 2.107 3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -20.669 2.752 1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -19.066 0.326 2.642 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.125 0.534 1.262 1.00 0.00 H new ATOM 511 N SER A 33 -16.076 2.247 3.095 1.00 0.00 N ATOM 512 CA SER A 33 -14.763 2.268 3.730 1.00 0.00 C ATOM 513 C SER A 33 -14.332 0.837 4.039 1.00 0.00 C ATOM 514 O SER A 33 -14.927 -0.107 3.508 1.00 0.00 O ATOM 515 CB SER A 33 -14.832 3.089 5.017 1.00 0.00 C ATOM 516 OG SER A 33 -15.474 4.335 4.792 1.00 0.00 O ATOM 0 H SER A 33 -16.766 1.681 3.589 1.00 0.00 H new ATOM 0 HA SER A 33 -14.034 2.724 3.060 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.373 2.530 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.825 3.258 5.399 1.00 0.00 H new ATOM 0 HG SER A 33 -15.508 4.842 5.630 1.00 0.00 H new ATOM 522 N ASP A 34 -13.309 0.660 4.884 1.00 0.00 N ATOM 523 CA ASP A 34 -12.949 -0.643 5.469 1.00 0.00 C ATOM 524 C ASP A 34 -12.283 -1.667 4.545 1.00 0.00 C ATOM 525 O ASP A 34 -12.937 -2.445 3.851 1.00 0.00 O ATOM 526 CB ASP A 34 -14.122 -1.286 6.192 1.00 0.00 C ATOM 527 CG ASP A 34 -14.544 -0.498 7.414 1.00 0.00 C ATOM 528 OD1 ASP A 34 -15.764 -0.390 7.675 1.00 0.00 O ATOM 529 OD2 ASP A 34 -13.657 0.022 8.124 1.00 0.00 O ATOM 0 H ASP A 34 -12.701 1.422 5.185 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.167 -0.365 6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.966 -1.371 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.851 -2.299 6.491 1.00 0.00 H new ATOM 534 N ILE A 35 -10.956 -1.639 4.575 1.00 0.00 N ATOM 535 CA ILE A 35 -10.110 -2.727 4.106 1.00 0.00 C ATOM 536 C ILE A 35 -8.870 -2.765 4.976 1.00 0.00 C ATOM 537 O ILE A 35 -8.508 -1.753 5.576 1.00 0.00 O ATOM 538 CB ILE A 35 -9.679 -2.571 2.628 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.156 -3.910 2.082 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.610 -1.492 2.503 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.199 -3.780 0.915 1.00 0.00 C ATOM 0 H ILE A 35 -10.429 -0.843 4.933 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.688 -3.649 4.172 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.546 -2.271 2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.656 -4.446 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.006 -4.519 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.315 -1.392 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.008 -0.542 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.741 -1.769 3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.880 -4.772 0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.699 -3.274 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.328 -3.201 1.221 1.00 0.00 H new ATOM 553 N GLU A 36 -8.222 -3.911 5.070 1.00 0.00 N ATOM 554 CA GLU A 36 -7.042 -4.031 5.895 1.00 0.00 C ATOM 555 C GLU A 36 -5.854 -4.365 5.003 1.00 0.00 C ATOM 556 O GLU A 36 -5.894 -5.339 4.242 1.00 0.00 O ATOM 557 CB GLU A 36 -7.240 -5.133 6.932 1.00 0.00 C ATOM 558 CG GLU A 36 -6.303 -5.022 8.121 1.00 0.00 C ATOM 559 CD GLU A 36 -6.465 -3.702 8.840 1.00 0.00 C ATOM 560 OE1 GLU A 36 -5.832 -2.719 8.422 1.00 0.00 O ATOM 561 OE2 GLU A 36 -7.237 -3.637 9.820 1.00 0.00 O ATOM 0 H GLU A 36 -8.494 -4.767 4.586 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.860 -3.092 6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.270 -5.105 7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.094 -6.101 6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.497 -5.840 8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.272 -5.128 7.783 1.00 0.00 H new ATOM 568 N VAL A 37 -4.818 -3.555 5.080 1.00 0.00 N ATOM 569 CA VAL A 37 -3.655 -3.719 4.218 1.00 0.00 C ATOM 570 C VAL A 37 -2.364 -3.549 5.015 1.00 0.00 C ATOM 571 O VAL A 37 -2.243 -2.653 5.850 1.00 0.00 O ATOM 572 CB VAL A 37 -3.704 -2.760 2.988 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.765 -1.700 3.187 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.351 -2.110 2.677 1.00 0.00 C ATOM 0 H VAL A 37 -4.753 -2.773 5.731 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.674 -4.735 3.824 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.960 -3.374 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.786 -1.039 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.738 -2.177 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.536 -1.119 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.452 -1.455 1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.021 -1.527 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.616 -2.885 2.461 1.00 0.00 H new ATOM 584 N ASP A 38 -1.421 -4.436 4.758 1.00 0.00 N ATOM 585 CA ASP A 38 -0.159 -4.467 5.484 1.00 0.00 C ATOM 586 C ASP A 38 1.009 -4.508 4.505 1.00 0.00 C ATOM 587 O ASP A 38 0.917 -5.130 3.450 1.00 0.00 O ATOM 588 CB ASP A 38 -0.114 -5.679 6.427 1.00 0.00 C ATOM 589 CG ASP A 38 -1.111 -5.584 7.565 1.00 0.00 C ATOM 590 OD1 ASP A 38 -0.803 -4.916 8.576 1.00 0.00 O ATOM 591 OD2 ASP A 38 -2.194 -6.197 7.465 1.00 0.00 O ATOM 0 H ASP A 38 -1.505 -5.156 4.041 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.078 -3.561 6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.311 -6.585 5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.891 -5.774 6.839 1.00 0.00 H new ATOM 596 N LEU A 39 2.103 -3.840 4.847 1.00 0.00 N ATOM 597 CA LEU A 39 3.247 -3.737 3.951 1.00 0.00 C ATOM 598 C LEU A 39 4.275 -4.829 4.262 1.00 0.00 C ATOM 599 O LEU A 39 4.487 -5.184 5.422 1.00 0.00 O ATOM 600 CB LEU A 39 3.896 -2.356 4.082 1.00 0.00 C ATOM 601 CG LEU A 39 2.940 -1.159 4.080 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.719 0.139 4.241 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.103 -1.120 2.814 1.00 0.00 C ATOM 0 H LEU A 39 2.222 -3.361 5.740 1.00 0.00 H new ATOM 0 HA LEU A 39 2.896 -3.871 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.472 -2.334 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.604 -2.231 3.263 1.00 0.00 H new ATOM 0 HG LEU A 39 2.261 -1.272 4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.027 0.981 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.265 0.121 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.424 0.245 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.436 -0.259 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.758 -1.040 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.513 -2.033 2.740 1.00 0.00 H new ATOM 615 N LEU A 40 4.887 -5.374 3.215 1.00 0.00 N ATOM 616 CA LEU A 40 5.848 -6.467 3.349 1.00 0.00 C ATOM 617 C LEU A 40 7.246 -6.094 2.884 1.00 0.00 C ATOM 618 O LEU A 40 7.493 -5.002 2.387 1.00 0.00 O ATOM 619 CB LEU A 40 5.418 -7.680 2.539 1.00 0.00 C ATOM 620 CG LEU A 40 3.940 -8.040 2.585 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.662 -9.150 1.586 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.530 -8.458 3.989 1.00 0.00 C ATOM 0 H LEU A 40 4.733 -5.073 2.253 1.00 0.00 H new ATOM 0 HA LEU A 40 5.871 -6.691 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.695 -7.511 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.990 -8.541 2.885 1.00 0.00 H new ATOM 0 HG LEU A 40 3.349 -7.164 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.604 -9.410 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.924 -8.811 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.259 -10.026 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.470 -8.711 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.113 -9.327 4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.713 -7.636 4.681 1.00 0.00 H new ATOM 634 N LYS A 41 8.138 -7.059 3.066 1.00 0.00 N ATOM 635 CA LYS A 41 9.536 -6.974 2.670 1.00 0.00 C ATOM 636 C LYS A 41 10.016 -8.358 2.283 1.00 0.00 C ATOM 637 O LYS A 41 10.282 -9.191 3.149 1.00 0.00 O ATOM 638 CB LYS A 41 10.380 -6.462 3.819 1.00 0.00 C ATOM 639 CG LYS A 41 9.762 -5.254 4.503 1.00 0.00 C ATOM 640 CD LYS A 41 10.475 -4.935 5.827 1.00 0.00 C ATOM 641 CE LYS A 41 10.085 -5.942 6.908 1.00 0.00 C ATOM 642 NZ LYS A 41 10.552 -5.536 8.263 1.00 0.00 N ATOM 0 H LYS A 41 7.901 -7.948 3.506 1.00 0.00 H new ATOM 0 HA LYS A 41 9.630 -6.287 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.515 -7.259 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.371 -6.198 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.818 -4.390 3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.705 -5.442 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.555 -4.954 5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.216 -3.927 6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.001 -6.055 6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.505 -6.917 6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.927 -6.366 8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.300 -4.819 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.755 -5.139 8.800 1.00 0.00 H new ATOM 656 N ASN A 42 10.058 -8.608 0.984 1.00 0.00 N ATOM 657 CA ASN A 42 10.448 -9.905 0.411 1.00 0.00 C ATOM 658 C ASN A 42 9.382 -10.967 0.679 1.00 0.00 C ATOM 659 O ASN A 42 9.321 -11.995 0.008 1.00 0.00 O ATOM 660 CB ASN A 42 11.801 -10.363 0.968 1.00 0.00 C ATOM 661 CG ASN A 42 12.695 -10.967 -0.098 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.639 -12.165 -0.372 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.541 -10.138 -0.695 1.00 0.00 N ATOM 0 H ASN A 42 9.820 -7.910 0.279 1.00 0.00 H new ATOM 0 HA ASN A 42 10.541 -9.775 -0.667 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.309 -9.513 1.424 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.636 -11.097 1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.178 -10.487 -1.411 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.555 -9.151 -0.438 1.00 0.00 H new ATOM 670 N GLY A 43 8.528 -10.688 1.651 1.00 0.00 N ATOM 671 CA GLY A 43 7.494 -11.613 2.053 1.00 0.00 C ATOM 672 C GLY A 43 7.206 -11.506 3.531 1.00 0.00 C ATOM 673 O GLY A 43 6.325 -12.185 4.058 1.00 0.00 O ATOM 0 H GLY A 43 8.536 -9.815 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.584 -11.412 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.801 -12.631 1.813 1.00 0.00 H new ATOM 677 N GLU A 44 7.950 -10.635 4.193 1.00 0.00 N ATOM 678 CA GLU A 44 7.893 -10.502 5.631 1.00 0.00 C ATOM 679 C GLU A 44 7.225 -9.186 6.016 1.00 0.00 C ATOM 680 O GLU A 44 7.406 -8.182 5.339 1.00 0.00 O ATOM 681 CB GLU A 44 9.319 -10.545 6.131 1.00 0.00 C ATOM 682 CG GLU A 44 10.112 -11.665 5.497 1.00 0.00 C ATOM 683 CD GLU A 44 9.623 -13.047 5.884 1.00 0.00 C ATOM 684 OE1 GLU A 44 8.946 -13.699 5.058 1.00 0.00 O ATOM 685 OE2 GLU A 44 9.922 -13.493 7.005 1.00 0.00 O ATOM 0 H GLU A 44 8.610 -10.001 3.743 1.00 0.00 H new ATOM 0 HA GLU A 44 7.304 -11.304 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.805 -9.593 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.319 -10.670 7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.067 -11.563 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.159 -11.565 5.783 1.00 0.00 H new ATOM 692 N ARG A 45 6.456 -9.198 7.092 1.00 0.00 N ATOM 693 CA ARG A 45 5.649 -8.039 7.471 1.00 0.00 C ATOM 694 C ARG A 45 6.500 -6.872 7.991 1.00 0.00 C ATOM 695 O ARG A 45 7.525 -7.072 8.639 1.00 0.00 O ATOM 696 CB ARG A 45 4.617 -8.445 8.540 1.00 0.00 C ATOM 697 CG ARG A 45 3.494 -7.425 8.737 1.00 0.00 C ATOM 698 CD ARG A 45 2.337 -7.965 9.588 1.00 0.00 C ATOM 699 NE ARG A 45 1.299 -6.955 9.808 1.00 0.00 N ATOM 700 CZ ARG A 45 0.536 -6.891 10.900 1.00 0.00 C ATOM 701 NH1 ARG A 45 0.757 -7.706 11.924 1.00 0.00 N ATOM 702 NH2 ARG A 45 -0.443 -6.000 10.964 1.00 0.00 N ATOM 0 H ARG A 45 6.370 -9.996 7.722 1.00 0.00 H new ATOM 0 HA ARG A 45 5.141 -7.694 6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.179 -9.404 8.262 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.131 -8.593 9.490 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.901 -6.532 9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.111 -7.122 7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.899 -8.833 9.095 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.722 -8.304 10.550 1.00 0.00 H new ATOM 0 HE ARG A 45 1.150 -6.256 9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.515 -8.387 11.879 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.169 -7.651 12.756 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.610 -5.368 10.181 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.030 -5.946 11.796 1.00 0.00 H new ATOM 716 N ILE A 46 6.059 -5.653 7.680 1.00 0.00 N ATOM 717 CA ILE A 46 6.650 -4.438 8.220 1.00 0.00 C ATOM 718 C ILE A 46 5.841 -3.997 9.418 1.00 0.00 C ATOM 719 O ILE A 46 4.612 -4.066 9.399 1.00 0.00 O ATOM 720 CB ILE A 46 6.648 -3.287 7.197 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.395 -3.688 5.936 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.273 -2.036 7.806 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.318 -2.652 4.838 1.00 0.00 C ATOM 0 H ILE A 46 5.279 -5.485 7.044 1.00 0.00 H new ATOM 0 HA ILE A 46 7.683 -4.662 8.486 1.00 0.00 H new ATOM 0 HB ILE A 46 5.614 -3.068 6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.441 -3.867 6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.989 -4.630 5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.265 -1.231 7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.701 -1.733 8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.301 -2.249 8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.872 -3.003 3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.276 -2.490 4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.750 -1.715 5.190 1.00 0.00 H new ATOM 735 N GLU A 47 6.511 -3.544 10.454 1.00 0.00 N ATOM 736 CA GLU A 47 5.844 -3.201 11.694 1.00 0.00 C ATOM 737 C GLU A 47 5.623 -1.684 11.863 1.00 0.00 C ATOM 738 O GLU A 47 4.551 -1.275 12.305 1.00 0.00 O ATOM 739 CB GLU A 47 6.608 -3.798 12.894 1.00 0.00 C ATOM 740 CG GLU A 47 8.134 -3.762 12.794 1.00 0.00 C ATOM 741 CD GLU A 47 8.735 -4.733 11.788 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.927 -5.914 12.134 1.00 0.00 O ATOM 743 OE2 GLU A 47 9.057 -4.297 10.658 1.00 0.00 O ATOM 0 H GLU A 47 7.521 -3.404 10.464 1.00 0.00 H new ATOM 0 HA GLU A 47 4.848 -3.642 11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.309 -3.262 13.795 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.295 -4.834 13.021 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.442 -2.751 12.529 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.553 -3.975 13.777 1.00 0.00 H new ATOM 750 N LYS A 48 6.620 -0.845 11.526 1.00 0.00 N ATOM 751 CA LYS A 48 6.462 0.608 11.584 1.00 0.00 C ATOM 752 C LYS A 48 5.550 1.168 10.495 1.00 0.00 C ATOM 753 O LYS A 48 5.625 2.351 10.163 1.00 0.00 O ATOM 754 CB LYS A 48 7.819 1.274 11.498 1.00 0.00 C ATOM 755 CG LYS A 48 8.715 0.816 12.612 1.00 0.00 C ATOM 756 CD LYS A 48 10.002 1.601 12.679 1.00 0.00 C ATOM 757 CE LYS A 48 10.938 1.238 11.541 1.00 0.00 C ATOM 758 NZ LYS A 48 12.192 2.036 11.579 1.00 0.00 N ATOM 0 H LYS A 48 7.540 -1.154 11.212 1.00 0.00 H new ATOM 0 HA LYS A 48 5.983 0.828 12.538 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.281 1.044 10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.700 2.357 11.544 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.186 0.910 13.561 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.945 -0.241 12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.781 2.668 12.642 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.496 1.410 13.632 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.181 0.177 11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.433 1.401 10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.804 1.758 10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.962 3.047 11.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.688 1.861 12.476 1.00 0.00 H new ATOM 772 N VAL A 49 4.728 0.320 9.913 1.00 0.00 N ATOM 773 CA VAL A 49 3.680 0.782 9.017 1.00 0.00 C ATOM 774 C VAL A 49 2.638 1.579 9.788 1.00 0.00 C ATOM 775 O VAL A 49 2.199 1.165 10.862 1.00 0.00 O ATOM 776 CB VAL A 49 2.970 -0.385 8.319 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.897 0.139 7.376 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.973 -1.243 7.579 1.00 0.00 C ATOM 0 H VAL A 49 4.762 -0.691 10.042 1.00 0.00 H new ATOM 0 HA VAL A 49 4.161 1.407 8.265 1.00 0.00 H new ATOM 0 HB VAL A 49 2.485 -1.005 9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.401 -0.700 6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.164 0.714 7.942 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.356 0.779 6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.455 -2.067 7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.486 -0.639 6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.702 -1.641 8.285 1.00 0.00 H new ATOM 788 N GLU A 50 2.245 2.718 9.246 1.00 0.00 N ATOM 789 CA GLU A 50 1.211 3.519 9.863 1.00 0.00 C ATOM 790 C GLU A 50 0.164 3.925 8.844 1.00 0.00 C ATOM 791 O GLU A 50 0.450 4.089 7.655 1.00 0.00 O ATOM 792 CB GLU A 50 1.781 4.774 10.518 1.00 0.00 C ATOM 793 CG GLU A 50 2.939 4.514 11.457 1.00 0.00 C ATOM 794 CD GLU A 50 3.319 5.751 12.234 1.00 0.00 C ATOM 795 OE1 GLU A 50 3.130 5.759 13.466 1.00 0.00 O ATOM 796 OE2 GLU A 50 3.775 6.734 11.614 1.00 0.00 O ATOM 0 H GLU A 50 2.627 3.105 8.383 1.00 0.00 H new ATOM 0 HA GLU A 50 0.752 2.901 10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.108 5.461 9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.986 5.275 11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.673 3.717 12.151 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.799 4.165 10.886 1.00 0.00 H new ATOM 803 N HIS A 51 -1.046 4.068 9.332 1.00 0.00 N ATOM 804 CA HIS A 51 -2.149 4.581 8.536 1.00 0.00 C ATOM 805 C HIS A 51 -2.569 5.953 9.049 1.00 0.00 C ATOM 806 O HIS A 51 -2.707 6.165 10.256 1.00 0.00 O ATOM 807 CB HIS A 51 -3.337 3.608 8.536 1.00 0.00 C ATOM 808 CG HIS A 51 -3.860 3.228 9.896 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.095 3.647 10.328 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.297 2.454 10.861 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.259 3.123 11.529 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.197 2.392 11.897 1.00 0.00 N ATOM 0 H HIS A 51 -1.299 3.833 10.292 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.810 4.681 7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.151 4.054 7.964 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.041 2.699 8.012 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.328 1.979 10.821 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.139 3.266 12.139 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.080 1.888 12.776 1.00 0.00 H new ATOM 820 N SER A 52 -2.710 6.894 8.128 1.00 0.00 N ATOM 821 CA SER A 52 -3.103 8.256 8.464 1.00 0.00 C ATOM 822 C SER A 52 -4.622 8.383 8.607 1.00 0.00 C ATOM 823 O SER A 52 -5.321 7.380 8.765 1.00 0.00 O ATOM 824 CB SER A 52 -2.566 9.211 7.384 1.00 0.00 C ATOM 825 OG SER A 52 -2.748 8.653 6.091 1.00 0.00 O ATOM 0 H SER A 52 -2.557 6.738 7.132 1.00 0.00 H new ATOM 0 HA SER A 52 -2.673 8.522 9.430 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.081 10.169 7.449 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.508 9.406 7.557 1.00 0.00 H new ATOM 0 HG SER A 52 -2.403 9.273 5.415 1.00 0.00 H new ATOM 973 N PHE A 62 -14.073 6.075 -0.954 1.00 0.00 N ATOM 974 CA PHE A 62 -13.269 6.533 0.165 1.00 0.00 C ATOM 975 C PHE A 62 -11.908 5.853 0.086 1.00 0.00 C ATOM 976 O PHE A 62 -11.741 4.868 -0.639 1.00 0.00 O ATOM 977 CB PHE A 62 -13.945 6.206 1.512 1.00 0.00 C ATOM 978 CG PHE A 62 -15.304 6.839 1.740 1.00 0.00 C ATOM 979 CD1 PHE A 62 -15.477 7.803 2.725 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.411 6.451 0.993 1.00 0.00 C ATOM 981 CE1 PHE A 62 -16.721 8.368 2.958 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.655 7.014 1.221 1.00 0.00 C ATOM 983 CZ PHE A 62 -17.809 7.971 2.203 1.00 0.00 C ATOM 0 HA PHE A 62 -13.159 7.616 0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -14.052 5.124 1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.280 6.520 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -14.630 8.117 3.318 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -16.299 5.700 0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -16.840 9.116 3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -18.505 6.704 0.631 1.00 0.00 H new ATOM 0 HZ PHE A 62 -18.779 8.410 2.382 1.00 0.00 H new ATOM 993 N TYR A 63 -10.941 6.369 0.819 1.00 0.00 N ATOM 994 CA TYR A 63 -9.580 5.880 0.697 1.00 0.00 C ATOM 995 C TYR A 63 -9.028 5.506 2.057 1.00 0.00 C ATOM 996 O TYR A 63 -9.357 6.134 3.055 1.00 0.00 O ATOM 997 CB TYR A 63 -8.680 6.957 0.076 1.00 0.00 C ATOM 998 CG TYR A 63 -9.409 7.936 -0.819 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.663 7.644 -2.153 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -9.841 9.159 -0.320 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -10.327 8.544 -2.965 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.507 10.062 -1.121 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.747 9.753 -2.445 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.401 10.661 -3.250 1.00 0.00 O ATOM 0 H TYR A 63 -11.069 7.119 1.499 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.595 4.999 0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.189 7.510 0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.895 6.469 -0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.337 6.699 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.652 9.407 0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.517 8.303 -4.001 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.839 11.006 -0.715 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.628 11.458 -2.727 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.178 4.502 2.093 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.448 4.178 3.301 1.00 0.00 C ATOM 1016 C LEU A 64 -5.979 3.989 2.945 1.00 0.00 C ATOM 1017 O LEU A 64 -5.644 3.263 2.005 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.088 2.953 3.996 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.245 2.241 5.049 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.116 1.874 6.231 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.617 0.994 4.452 1.00 0.00 C ATOM 0 H LEU A 64 -7.975 3.895 1.299 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.503 4.990 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.017 3.276 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.355 2.228 3.227 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.449 2.906 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.513 1.365 6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.545 2.779 6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.918 1.213 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.016 0.491 5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.402 0.322 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.981 1.273 3.612 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.107 4.665 3.687 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.702 4.759 3.321 1.00 0.00 C ATOM 1035 C LEU A 65 -2.840 4.024 4.334 1.00 0.00 C ATOM 1036 O LEU A 65 -3.025 4.171 5.539 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.272 6.234 3.266 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.262 6.622 2.170 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -2.047 8.132 2.162 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.924 5.909 2.347 1.00 0.00 C ATOM 0 H LEU A 65 -5.352 5.156 4.547 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.570 4.302 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.166 6.844 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.843 6.499 4.232 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.682 6.307 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.331 8.393 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.995 8.633 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.661 8.450 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.242 6.212 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.496 6.174 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.077 4.831 2.302 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.901 3.246 3.836 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.939 2.561 4.684 1.00 0.00 C ATOM 1054 C TYR A 66 0.472 2.825 4.181 1.00 0.00 C ATOM 1055 O TYR A 66 0.820 2.455 3.063 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.228 1.059 4.730 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.134 0.630 5.865 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.487 0.382 5.663 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.619 0.435 7.142 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.293 -0.040 6.696 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.424 0.015 8.183 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.757 -0.221 7.955 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.557 -0.632 8.994 1.00 0.00 O ATOM 0 H TYR A 66 -1.781 3.069 2.839 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.028 2.948 5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.683 0.760 3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.283 0.522 4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.912 0.523 4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.570 0.615 7.323 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.342 -0.229 6.522 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.008 -0.127 9.169 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.304 -1.161 8.643 1.00 0.00 H new ATOM 1073 N TYR A 67 1.278 3.486 4.999 1.00 0.00 N ATOM 1074 CA TYR A 67 2.619 3.876 4.579 1.00 0.00 C ATOM 1075 C TYR A 67 3.651 3.591 5.660 1.00 0.00 C ATOM 1076 O TYR A 67 3.308 3.346 6.814 1.00 0.00 O ATOM 1077 CB TYR A 67 2.663 5.366 4.200 1.00 0.00 C ATOM 1078 CG TYR A 67 2.306 6.318 5.325 1.00 0.00 C ATOM 1079 CD1 TYR A 67 0.997 6.740 5.513 1.00 0.00 C ATOM 1080 CD2 TYR A 67 3.283 6.807 6.183 1.00 0.00 C ATOM 1081 CE1 TYR A 67 0.670 7.619 6.526 1.00 0.00 C ATOM 1082 CE2 TYR A 67 2.964 7.683 7.201 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.658 8.087 7.369 1.00 0.00 C ATOM 1084 OH TYR A 67 1.342 8.963 8.382 1.00 0.00 O ATOM 0 H TYR A 67 1.031 3.762 5.949 1.00 0.00 H new ATOM 0 HA TYR A 67 2.867 3.277 3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.664 5.606 3.843 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.979 5.535 3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.222 6.375 4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.309 6.497 6.051 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.353 7.939 6.658 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.735 8.050 7.863 1.00 0.00 H new ATOM 0 HH TYR A 67 2.153 9.192 8.882 1.00 0.00 H new ATOM 1094 N THR A 68 4.918 3.621 5.272 1.00 0.00 N ATOM 1095 CA THR A 68 6.010 3.443 6.217 1.00 0.00 C ATOM 1096 C THR A 68 7.286 4.103 5.688 1.00 0.00 C ATOM 1097 O THR A 68 7.475 4.234 4.473 1.00 0.00 O ATOM 1098 CB THR A 68 6.263 1.944 6.506 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.156 1.796 7.616 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.838 1.230 5.286 1.00 0.00 C ATOM 0 H THR A 68 5.215 3.767 4.307 1.00 0.00 H new ATOM 0 HA THR A 68 5.725 3.924 7.153 1.00 0.00 H new ATOM 0 HB THR A 68 5.303 1.488 6.748 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.712 2.097 8.436 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.004 0.179 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.137 1.308 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.785 1.692 5.007 1.00 0.00 H new ATOM 1108 N GLU A 69 8.128 4.562 6.608 1.00 0.00 N ATOM 1109 CA GLU A 69 9.405 5.149 6.276 1.00 0.00 C ATOM 1110 C GLU A 69 10.421 4.042 6.062 1.00 0.00 C ATOM 1111 O GLU A 69 10.619 3.199 6.939 1.00 0.00 O ATOM 1112 CB GLU A 69 9.856 6.030 7.440 1.00 0.00 C ATOM 1113 CG GLU A 69 8.738 6.355 8.403 1.00 0.00 C ATOM 1114 CD GLU A 69 9.235 7.025 9.663 1.00 0.00 C ATOM 1115 OE1 GLU A 69 9.883 6.342 10.485 1.00 0.00 O ATOM 1116 OE2 GLU A 69 8.981 8.233 9.839 1.00 0.00 O ATOM 0 H GLU A 69 7.935 4.533 7.609 1.00 0.00 H new ATOM 0 HA GLU A 69 9.319 5.746 5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.658 5.527 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.270 6.958 7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.016 7.006 7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.212 5.438 8.667 1.00 0.00 H new ATOM 1123 N PHE A 70 11.072 4.053 4.919 1.00 0.00 N ATOM 1124 CA PHE A 70 11.956 2.957 4.551 1.00 0.00 C ATOM 1125 C PHE A 70 13.191 3.458 3.809 1.00 0.00 C ATOM 1126 O PHE A 70 13.212 4.581 3.303 1.00 0.00 O ATOM 1127 CB PHE A 70 11.203 1.914 3.702 1.00 0.00 C ATOM 1128 CG PHE A 70 10.760 2.385 2.334 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.565 1.468 1.314 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.537 3.724 2.069 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.160 1.876 0.057 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.134 4.143 0.815 1.00 0.00 C ATOM 1133 CZ PHE A 70 9.945 3.218 -0.195 1.00 0.00 C ATOM 0 H PHE A 70 11.010 4.802 4.229 1.00 0.00 H new ATOM 0 HA PHE A 70 12.292 2.481 5.472 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.844 1.042 3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.324 1.586 4.257 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.732 0.418 1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.680 4.453 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.012 1.148 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.967 5.193 0.624 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.631 3.542 -1.176 1.00 0.00 H new ATOM 1143 N THR A 71 14.219 2.624 3.767 1.00 0.00 N ATOM 1144 CA THR A 71 15.380 2.875 2.934 1.00 0.00 C ATOM 1145 C THR A 71 15.536 1.751 1.900 1.00 0.00 C ATOM 1146 O THR A 71 16.172 0.733 2.171 1.00 0.00 O ATOM 1147 CB THR A 71 16.659 2.989 3.788 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.495 4.026 4.763 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.875 3.298 2.925 1.00 0.00 C ATOM 0 H THR A 71 14.270 1.760 4.307 1.00 0.00 H new ATOM 0 HA THR A 71 15.231 3.822 2.416 1.00 0.00 H new ATOM 0 HB THR A 71 16.822 2.031 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.308 4.096 5.306 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.760 3.372 3.557 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.016 2.500 2.195 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.721 4.243 2.404 1.00 0.00 H new ATOM 1157 N PRO A 72 14.894 1.899 0.723 1.00 0.00 N ATOM 1158 CA PRO A 72 14.973 0.926 -0.380 1.00 0.00 C ATOM 1159 C PRO A 72 16.397 0.536 -0.744 1.00 0.00 C ATOM 1160 O PRO A 72 17.315 1.360 -0.709 1.00 0.00 O ATOM 1161 CB PRO A 72 14.327 1.664 -1.570 1.00 0.00 C ATOM 1162 CG PRO A 72 14.144 3.079 -1.116 1.00 0.00 C ATOM 1163 CD PRO A 72 14.009 3.017 0.372 1.00 0.00 C ATOM 0 HA PRO A 72 14.483 -0.007 -0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.963 1.615 -2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.372 1.212 -1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.995 3.695 -1.406 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.259 3.524 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.321 3.947 0.847 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.980 2.832 0.679 1.00 0.00 H new ATOM 1171 N THR A 73 16.568 -0.731 -1.088 1.00 0.00 N ATOM 1172 CA THR A 73 17.843 -1.243 -1.531 1.00 0.00 C ATOM 1173 C THR A 73 17.649 -2.101 -2.777 1.00 0.00 C ATOM 1174 O THR A 73 16.533 -2.523 -3.075 1.00 0.00 O ATOM 1175 CB THR A 73 18.552 -2.078 -0.433 1.00 0.00 C ATOM 1176 OG1 THR A 73 17.869 -3.322 -0.230 1.00 0.00 O ATOM 1177 CG2 THR A 73 18.603 -1.319 0.884 1.00 0.00 C ATOM 0 H THR A 73 15.824 -1.428 -1.066 1.00 0.00 H new ATOM 0 HA THR A 73 18.478 -0.387 -1.758 1.00 0.00 H new ATOM 0 HB THR A 73 19.570 -2.270 -0.772 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.018 -3.157 0.226 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.105 -1.928 1.636 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.152 -0.387 0.746 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.589 -1.097 1.216 1.00 0.00 H new ATOM 1185 N GLU A 74 18.726 -2.334 -3.499 1.00 0.00 N ATOM 1186 CA GLU A 74 18.713 -3.196 -4.681 1.00 0.00 C ATOM 1187 C GLU A 74 18.365 -4.633 -4.288 1.00 0.00 C ATOM 1188 O GLU A 74 17.628 -5.337 -4.978 1.00 0.00 O ATOM 1189 CB GLU A 74 20.106 -3.160 -5.310 1.00 0.00 C ATOM 1190 CG GLU A 74 20.153 -3.432 -6.797 1.00 0.00 C ATOM 1191 CD GLU A 74 19.795 -4.854 -7.168 1.00 0.00 C ATOM 1192 OE1 GLU A 74 18.751 -5.059 -7.817 1.00 0.00 O ATOM 1193 OE2 GLU A 74 20.566 -5.770 -6.815 1.00 0.00 O ATOM 0 H GLU A 74 19.640 -1.934 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 74 17.963 -2.842 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 74 20.545 -2.180 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 74 20.734 -3.893 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 74 19.469 -2.751 -7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.155 -3.211 -7.166 1.00 0.00 H new ATOM 1200 N LYS A 75 18.902 -5.034 -3.156 1.00 0.00 N ATOM 1201 CA LYS A 75 18.876 -6.412 -2.715 1.00 0.00 C ATOM 1202 C LYS A 75 17.567 -6.786 -2.017 1.00 0.00 C ATOM 1203 O LYS A 75 17.204 -7.961 -1.976 1.00 0.00 O ATOM 1204 CB LYS A 75 20.055 -6.642 -1.776 1.00 0.00 C ATOM 1205 CG LYS A 75 21.399 -6.289 -2.399 1.00 0.00 C ATOM 1206 CD LYS A 75 22.112 -5.213 -1.597 1.00 0.00 C ATOM 1207 CE LYS A 75 23.388 -4.752 -2.279 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.107 -3.734 -1.467 1.00 0.00 N ATOM 0 H LYS A 75 19.375 -4.404 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 75 18.950 -7.051 -3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.913 -6.047 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.068 -7.688 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.024 -7.181 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.249 -5.944 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.446 -4.361 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.349 -5.597 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.040 -5.609 -2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.148 -4.335 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.973 -3.442 -1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.494 -2.906 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.358 -4.141 -0.543 1.00 0.00 H new ATOM 1222 N ASP A 76 16.856 -5.805 -1.468 1.00 0.00 N ATOM 1223 CA ASP A 76 15.619 -6.101 -0.747 1.00 0.00 C ATOM 1224 C ASP A 76 14.409 -5.646 -1.567 1.00 0.00 C ATOM 1225 O ASP A 76 14.580 -5.124 -2.672 1.00 0.00 O ATOM 1226 CB ASP A 76 15.654 -5.455 0.656 1.00 0.00 C ATOM 1227 CG ASP A 76 14.858 -4.188 0.787 1.00 0.00 C ATOM 1228 OD1 ASP A 76 13.746 -4.273 1.353 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.351 -3.107 0.394 1.00 0.00 O ATOM 0 H ASP A 76 17.107 -4.817 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 76 15.527 -7.178 -0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.282 -6.178 1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.691 -5.245 0.918 1.00 0.00 H new ATOM 1234 N GLU A 77 13.194 -5.858 -1.054 1.00 0.00 N ATOM 1235 CA GLU A 77 11.999 -5.582 -1.848 1.00 0.00 C ATOM 1236 C GLU A 77 10.755 -5.550 -0.991 1.00 0.00 C ATOM 1237 O GLU A 77 10.300 -6.569 -0.488 1.00 0.00 O ATOM 1238 CB GLU A 77 11.845 -6.652 -2.896 1.00 0.00 C ATOM 1239 CG GLU A 77 10.788 -6.384 -3.955 1.00 0.00 C ATOM 1240 CD GLU A 77 11.277 -5.454 -5.037 1.00 0.00 C ATOM 1241 OE1 GLU A 77 10.742 -4.337 -5.152 1.00 0.00 O ATOM 1242 OE2 GLU A 77 12.177 -5.854 -5.798 1.00 0.00 O ATOM 0 H GLU A 77 13.015 -6.212 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 77 12.119 -4.602 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.805 -6.790 -3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.606 -7.592 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.480 -7.328 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.905 -5.954 -3.482 1.00 0.00 H new ATOM 1249 N TYR A 78 10.198 -4.385 -0.863 1.00 0.00 N ATOM 1250 CA TYR A 78 9.013 -4.202 -0.052 1.00 0.00 C ATOM 1251 C TYR A 78 7.764 -4.448 -0.881 1.00 0.00 C ATOM 1252 O TYR A 78 7.754 -4.249 -2.091 1.00 0.00 O ATOM 1253 CB TYR A 78 8.961 -2.803 0.606 1.00 0.00 C ATOM 1254 CG TYR A 78 10.272 -2.317 1.218 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.335 -1.939 2.557 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.438 -2.227 0.465 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.519 -1.490 3.119 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.621 -1.785 1.024 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.657 -1.421 2.349 1.00 0.00 C ATOM 1260 OH TYR A 78 13.834 -0.982 2.910 1.00 0.00 O ATOM 0 H TYR A 78 10.541 -3.535 -1.310 1.00 0.00 H new ATOM 0 HA TYR A 78 9.057 -4.933 0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.640 -2.080 -0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.199 -2.815 1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.446 -1.997 3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.418 -2.508 -0.578 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.549 -1.195 4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.515 -1.726 0.422 1.00 0.00 H new ATOM 0 HH TYR A 78 14.438 -0.672 2.203 1.00 0.00 H new ATOM 1270 N ALA A 79 6.730 -4.920 -0.214 1.00 0.00 N ATOM 1271 CA ALA A 79 5.487 -5.317 -0.887 1.00 0.00 C ATOM 1272 C ALA A 79 4.255 -4.764 -0.177 1.00 0.00 C ATOM 1273 O ALA A 79 4.341 -4.309 0.954 1.00 0.00 O ATOM 1274 CB ALA A 79 5.392 -6.833 -0.989 1.00 0.00 C ATOM 0 H ALA A 79 6.716 -5.042 0.799 1.00 0.00 H new ATOM 0 HA ALA A 79 5.514 -4.892 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.464 -7.106 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.239 -7.213 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.405 -7.266 0.011 1.00 0.00 H new ATOM 1280 N CYS A 80 3.121 -4.771 -0.859 1.00 0.00 N ATOM 1281 CA CYS A 80 1.848 -4.390 -0.256 1.00 0.00 C ATOM 1282 C CYS A 80 0.909 -5.596 -0.218 1.00 0.00 C ATOM 1283 O CYS A 80 0.770 -6.301 -1.216 1.00 0.00 O ATOM 1284 CB CYS A 80 1.193 -3.257 -1.055 1.00 0.00 C ATOM 1285 SG CYS A 80 1.606 -1.584 -0.471 1.00 0.00 S ATOM 0 H CYS A 80 3.054 -5.039 -1.841 1.00 0.00 H new ATOM 0 HA CYS A 80 2.037 -4.043 0.760 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.491 -3.347 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.111 -3.383 -1.020 1.00 0.00 H new ATOM 1290 N ARG A 81 0.280 -5.839 0.927 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.694 -6.922 1.069 1.00 0.00 C ATOM 1292 C ARG A 81 -2.048 -6.341 1.454 1.00 0.00 C ATOM 1293 O ARG A 81 -2.115 -5.470 2.313 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.269 -7.886 2.174 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.052 -9.192 2.200 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.746 -10.004 3.458 1.00 0.00 C ATOM 1297 NE ARG A 81 0.594 -10.592 3.447 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.181 -11.111 4.530 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.558 -11.093 5.703 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.384 -11.667 4.435 1.00 0.00 N ATOM 0 H ARG A 81 0.427 -5.297 1.778 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.753 -7.452 0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.790 -8.113 2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.382 -7.389 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.120 -8.978 2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.807 -9.782 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.848 -9.361 4.332 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.485 -10.799 3.559 1.00 0.00 H new ATOM 0 HE ARG A 81 1.108 -10.607 2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.372 -10.682 5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.010 -11.490 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.862 -11.698 3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.830 -12.062 5.263 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.120 -6.811 0.836 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.453 -6.379 1.245 1.00 0.00 C ATOM 1316 C VAL A 82 -5.383 -7.563 1.414 1.00 0.00 C ATOM 1317 O VAL A 82 -5.265 -8.575 0.724 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.097 -5.359 0.282 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.065 -4.394 -0.231 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.825 -6.035 -0.861 1.00 0.00 C ATOM 0 H VAL A 82 -3.099 -7.478 0.065 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.311 -5.876 2.202 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.844 -4.802 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.537 -3.682 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.620 -3.857 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.288 -4.942 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.262 -5.278 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.122 -6.643 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.615 -6.671 -0.463 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.286 -7.424 2.360 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.280 -8.439 2.645 1.00 0.00 C ATOM 1332 C ASN A 83 -8.682 -7.851 2.523 1.00 0.00 C ATOM 1333 O ASN A 83 -9.001 -6.877 3.207 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.099 -8.967 4.080 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.669 -9.364 4.411 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.300 -10.531 4.344 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.849 -8.387 4.768 1.00 0.00 N ATOM 0 H ASN A 83 -6.353 -6.600 2.957 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.154 -9.251 1.929 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.426 -8.201 4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.749 -9.830 4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.877 -8.595 4.998 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.189 -7.427 4.813 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.515 -8.418 1.656 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.911 -8.021 1.582 1.00 0.00 C ATOM 1346 C HIS A 84 -11.750 -9.258 1.314 1.00 0.00 C ATOM 1347 O HIS A 84 -11.210 -10.286 0.909 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.139 -6.990 0.475 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.369 -6.154 0.685 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.507 -6.372 -0.052 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.589 -5.123 1.544 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.387 -5.479 0.366 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.876 -4.703 1.328 1.00 0.00 N ATOM 0 H HIS A 84 -9.246 -9.150 0.999 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.199 -7.560 2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.270 -6.335 0.413 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.218 -7.506 -0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.887 -4.715 2.257 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.391 -5.387 -0.020 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.354 -3.942 1.810 1.00 0.00 H new ATOM 1361 N VAL A 85 -13.057 -9.165 1.524 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.935 -10.307 1.332 1.00 0.00 C ATOM 1363 C VAL A 85 -13.988 -10.720 -0.137 1.00 0.00 C ATOM 1364 O VAL A 85 -14.328 -11.860 -0.455 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.366 -10.019 1.846 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.338 -9.643 3.320 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -16.043 -8.926 1.025 1.00 0.00 C ATOM 0 H VAL A 85 -13.529 -8.313 1.826 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.519 -11.129 1.915 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.952 -10.931 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.353 -9.444 3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.914 -10.465 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.727 -8.751 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -17.046 -8.749 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.460 -8.007 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -16.107 -9.240 -0.017 1.00 0.00 H new ATOM 1377 N THR A 86 -13.671 -9.784 -1.030 1.00 0.00 N ATOM 1378 CA THR A 86 -13.694 -10.055 -2.456 1.00 0.00 C ATOM 1379 C THR A 86 -12.531 -10.939 -2.865 1.00 0.00 C ATOM 1380 O THR A 86 -12.680 -11.867 -3.663 1.00 0.00 O ATOM 1381 CB THR A 86 -13.618 -8.750 -3.261 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.360 -8.108 -3.031 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.732 -7.808 -2.865 1.00 0.00 C ATOM 0 H THR A 86 -13.396 -8.833 -0.786 1.00 0.00 H new ATOM 0 HA THR A 86 -14.632 -10.567 -2.668 1.00 0.00 H new ATOM 0 HB THR A 86 -13.721 -8.997 -4.318 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.707 -8.423 -3.690 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.657 -6.890 -3.449 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.695 -8.282 -3.056 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.648 -7.571 -1.804 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.367 -10.641 -2.312 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.166 -11.360 -2.649 1.00 0.00 C ATOM 1393 C LEU A 87 -10.134 -12.654 -1.853 1.00 0.00 C ATOM 1394 O LEU A 87 -9.792 -12.652 -0.672 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.915 -10.513 -2.350 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.795 -9.210 -3.154 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.440 -8.545 -2.927 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -9.012 -9.485 -4.636 1.00 0.00 C ATOM 0 H LEU A 87 -11.236 -9.900 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.165 -11.582 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.909 -10.267 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.031 -11.121 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.567 -8.524 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.384 -7.625 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.321 -8.313 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.645 -9.222 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.924 -8.554 -5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.261 -10.192 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.006 -9.906 -4.786 1.00 0.00 H new ATOM 1410 N SER A 88 -10.509 -13.753 -2.499 1.00 0.00 N ATOM 1411 CA SER A 88 -10.514 -15.061 -1.853 1.00 0.00 C ATOM 1412 C SER A 88 -9.088 -15.491 -1.504 1.00 0.00 C ATOM 1413 O SER A 88 -8.861 -16.531 -0.887 1.00 0.00 O ATOM 1414 CB SER A 88 -11.212 -16.079 -2.759 1.00 0.00 C ATOM 1415 OG SER A 88 -10.823 -15.911 -4.116 1.00 0.00 O ATOM 0 H SER A 88 -10.814 -13.764 -3.472 1.00 0.00 H new ATOM 0 HA SER A 88 -11.071 -15.004 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.968 -17.089 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.293 -15.967 -2.671 1.00 0.00 H new ATOM 0 HG SER A 88 -11.282 -16.575 -4.672 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.141 -14.665 -1.922 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.758 -14.749 -1.506 1.00 0.00 C ATOM 1423 C GLN A 89 -6.284 -13.310 -1.332 1.00 0.00 C ATOM 1424 O GLN A 89 -6.361 -12.544 -2.298 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.882 -15.402 -2.582 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.525 -16.564 -3.321 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.885 -16.808 -4.674 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -4.694 -16.551 -4.873 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -6.669 -17.292 -5.621 1.00 0.00 N ATOM 0 H GLN A 89 -8.321 -13.902 -2.574 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.681 -15.347 -0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.600 -14.641 -3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.962 -15.753 -2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.445 -17.467 -2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.588 -16.363 -3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.649 -17.492 -5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.295 -17.465 -6.554 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.849 -12.880 -0.129 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.248 -11.553 0.041 1.00 0.00 C ATOM 1440 C PRO A 90 -4.223 -11.265 -1.040 1.00 0.00 C ATOM 1441 O PRO A 90 -3.564 -12.176 -1.547 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.576 -11.657 1.398 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.490 -12.542 2.157 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.929 -13.602 1.162 1.00 0.00 C ATOM 0 HA PRO A 90 -5.978 -10.746 -0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.575 -12.082 1.321 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.473 -10.681 1.873 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.985 -12.990 3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.344 -11.987 2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.274 -14.473 1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.939 -13.958 1.367 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.056 -10.005 -1.365 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.320 -9.644 -2.542 1.00 0.00 C ATOM 1454 C LYS A 91 -1.998 -9.012 -2.185 1.00 0.00 C ATOM 1455 O LYS A 91 -1.948 -8.086 -1.379 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.117 -8.674 -3.375 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.550 -8.570 -4.755 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.583 -9.934 -5.397 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.273 -9.888 -6.744 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.315 -11.225 -7.390 1.00 0.00 N ATOM 0 H LYS A 91 -4.421 -9.218 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.134 -10.556 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.156 -9.000 -3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.115 -7.693 -2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.127 -7.860 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.527 -8.196 -4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.566 -10.306 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.102 -10.634 -4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.289 -9.513 -6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.752 -9.186 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.795 -11.151 -8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.345 -11.572 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.834 -11.889 -6.781 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.928 -9.519 -2.769 1.00 0.00 N ATOM 1475 CA ILE A 92 0.381 -8.920 -2.590 1.00 0.00 C ATOM 1476 C ILE A 92 0.887 -8.364 -3.907 1.00 0.00 C ATOM 1477 O ILE A 92 0.872 -9.045 -4.931 1.00 0.00 O ATOM 1478 CB ILE A 92 1.442 -9.912 -2.052 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.093 -10.410 -0.642 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.826 -9.269 -2.052 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.055 -11.509 -0.609 1.00 0.00 C ATOM 0 H ILE A 92 -0.940 -10.343 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 92 0.247 -8.131 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 92 1.448 -10.774 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.002 -10.771 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.733 -9.568 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.558 -9.981 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.094 -8.982 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.816 -8.384 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.132 -11.802 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.871 -11.149 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.419 -12.370 -1.170 1.00 0.00 H new ATOM 1493 N VAL A 93 1.324 -7.127 -3.865 1.00 0.00 N ATOM 1494 CA VAL A 93 1.972 -6.496 -4.993 1.00 0.00 C ATOM 1495 C VAL A 93 3.282 -5.900 -4.515 1.00 0.00 C ATOM 1496 O VAL A 93 3.318 -5.198 -3.506 1.00 0.00 O ATOM 1497 CB VAL A 93 1.088 -5.401 -5.633 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.825 -4.693 -6.762 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.211 -6.002 -6.149 1.00 0.00 C ATOM 0 H VAL A 93 1.240 -6.527 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 93 2.148 -7.247 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 93 0.855 -4.664 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.180 -3.928 -7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.729 -4.227 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.094 -5.417 -7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.822 -5.218 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.012 -6.761 -6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.755 -6.458 -5.322 1.00 0.00 H new ATOM 1509 N LYS A 94 4.350 -6.205 -5.222 1.00 0.00 N ATOM 1510 CA LYS A 94 5.663 -5.733 -4.831 1.00 0.00 C ATOM 1511 C LYS A 94 5.767 -4.254 -5.165 1.00 0.00 C ATOM 1512 O LYS A 94 5.129 -3.781 -6.109 1.00 0.00 O ATOM 1513 CB LYS A 94 6.767 -6.532 -5.535 1.00 0.00 C ATOM 1514 CG LYS A 94 7.324 -5.872 -6.787 1.00 0.00 C ATOM 1515 CD LYS A 94 8.442 -6.707 -7.380 1.00 0.00 C ATOM 1516 CE LYS A 94 9.640 -5.867 -7.822 1.00 0.00 C ATOM 1517 NZ LYS A 94 9.473 -4.411 -7.553 1.00 0.00 N ATOM 0 H LYS A 94 4.336 -6.775 -6.067 1.00 0.00 H new ATOM 0 HA LYS A 94 5.796 -5.876 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.584 -6.696 -4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.374 -7.513 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.529 -5.745 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.696 -4.876 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.771 -7.441 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.059 -7.263 -8.236 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.533 -6.224 -7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.804 -6.015 -8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.244 -3.883 -8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.560 -4.090 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.498 -4.242 -6.527 1.00 0.00 H new ATOM 1531 N TRP A 95 6.542 -3.517 -4.393 1.00 0.00 N ATOM 1532 CA TRP A 95 6.705 -2.101 -4.633 1.00 0.00 C ATOM 1533 C TRP A 95 7.657 -1.885 -5.796 1.00 0.00 C ATOM 1534 O TRP A 95 8.789 -2.352 -5.769 1.00 0.00 O ATOM 1535 CB TRP A 95 7.257 -1.400 -3.383 1.00 0.00 C ATOM 1536 CG TRP A 95 7.523 0.045 -3.620 1.00 0.00 C ATOM 1537 CD1 TRP A 95 6.596 1.013 -3.832 1.00 0.00 C ATOM 1538 CD2 TRP A 95 8.799 0.682 -3.691 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.211 2.217 -4.041 1.00 0.00 N ATOM 1540 CE2 TRP A 95 8.567 2.042 -3.956 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.114 0.229 -3.560 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 9.600 2.956 -4.089 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.143 1.136 -3.695 1.00 0.00 C ATOM 1544 CH2 TRP A 95 10.880 2.491 -3.958 1.00 0.00 C ATOM 0 H TRP A 95 7.067 -3.877 -3.596 1.00 0.00 H new ATOM 0 HA TRP A 95 5.730 -1.676 -4.872 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.545 -1.507 -2.564 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.179 -1.891 -3.070 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.528 0.856 -3.835 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.737 3.101 -4.229 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.320 -0.811 -3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 9.402 3.999 -4.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.165 0.801 -3.597 1.00 0.00 H new ATOM 0 HH2 TRP A 95 11.706 3.180 -4.059 1.00 0.00 H new