USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 640 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 61 TYR OH : rot -124:sc= 0.925 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 179:sc= 0.163 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -27:sc= 0.0439 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00537) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0549 K(o=-0.055,f=-1.2) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -169:sc= -0.63 USER MOD Single : A 48 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.41) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.0491 (180deg=-0.394) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.637 X(o=-0.64,f=-0.64) USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0566) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.332 USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= -0.103 (180deg=-0.548) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ 138:sc= -0.119 (180deg=-0.597) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.12) USER MOD Single : A 86 ASN : amide:sc= -2.27 K(o=-2.3,f=-3.5) USER MOD Single : A 87 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.042) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 3.779 -0.307 -1.790 1.00 71.10 N ATOM 19 CA THR A 2 4.846 -1.058 -2.439 1.00 72.31 C ATOM 20 C THR A 2 6.167 -0.299 -2.381 1.00 34.42 C ATOM 21 O THR A 2 7.154 -0.706 -2.993 1.00 25.14 O ATOM 22 CB THR A 2 4.505 -1.361 -3.911 1.00 1.44 C ATOM 23 OG1 THR A 2 4.337 -0.137 -4.636 1.00 34.53 O ATOM 24 CG2 THR A 2 3.237 -2.195 -4.012 1.00 22.10 C ATOM 0 HA THR A 2 4.946 -1.998 -1.896 1.00 72.31 H new ATOM 0 HB THR A 2 5.329 -1.929 -4.343 1.00 1.44 H new ATOM 0 HG1 THR A 2 4.053 0.571 -4.021 1.00 34.53 H new ATOM 0 HG21 THR A 2 3.016 -2.396 -5.060 1.00 22.10 H new ATOM 0 HG22 THR A 2 3.379 -3.138 -3.484 1.00 22.10 H new ATOM 0 HG23 THR A 2 2.406 -1.649 -3.565 1.00 22.10 H new ATOM 32 N ARG A 3 6.177 0.805 -1.641 1.00 23.51 N ATOM 33 CA ARG A 3 7.378 1.621 -1.503 1.00 74.53 C ATOM 34 C ARG A 3 7.913 1.564 -0.075 1.00 53.05 C ATOM 35 O ARG A 3 7.146 1.463 0.882 1.00 15.21 O ATOM 36 CB ARG A 3 7.082 3.070 -1.891 1.00 53.45 C ATOM 37 CG ARG A 3 6.276 3.205 -3.173 1.00 14.40 C ATOM 38 CD ARG A 3 7.005 2.590 -4.357 1.00 52.42 C ATOM 39 NE ARG A 3 8.355 3.126 -4.507 1.00 2.13 N ATOM 40 CZ ARG A 3 9.204 2.728 -5.448 1.00 55.44 C ATOM 41 NH1 ARG A 3 8.843 1.797 -6.320 1.00 34.42 N ATOM 42 NH2 ARG A 3 10.416 3.264 -5.520 1.00 34.50 N ATOM 0 H ARG A 3 5.368 1.155 -1.128 1.00 23.51 H new ATOM 0 HA ARG A 3 8.139 1.221 -2.173 1.00 74.53 H new ATOM 0 HB2 ARG A 3 6.539 3.551 -1.078 1.00 53.45 H new ATOM 0 HB3 ARG A 3 8.024 3.606 -2.006 1.00 53.45 H new ATOM 0 HG2 ARG A 3 5.308 2.720 -3.048 1.00 14.40 H new ATOM 0 HG3 ARG A 3 6.081 4.259 -3.372 1.00 14.40 H new ATOM 0 HD2 ARG A 3 7.056 1.509 -4.229 1.00 52.42 H new ATOM 0 HD3 ARG A 3 6.438 2.777 -5.269 1.00 52.42 H new ATOM 0 HE ARG A 3 8.663 3.846 -3.853 1.00 2.13 H new ATOM 0 HH11 ARG A 3 7.911 1.385 -6.269 1.00 34.42 H new ATOM 0 HH12 ARG A 3 9.497 1.493 -7.042 1.00 34.42 H new ATOM 0 HH21 ARG A 3 10.696 3.982 -4.852 1.00 34.50 H new ATOM 0 HH22 ARG A 3 11.067 2.958 -6.243 1.00 34.50 H new ATOM 56 N ASP A 4 9.233 1.629 0.059 1.00 53.11 N ATOM 57 CA ASP A 4 9.871 1.586 1.370 1.00 71.05 C ATOM 58 C ASP A 4 9.435 2.771 2.225 1.00 5.52 C ATOM 59 O ASP A 4 9.056 3.820 1.704 1.00 11.42 O ATOM 60 CB ASP A 4 11.393 1.581 1.219 1.00 11.24 C ATOM 61 CG ASP A 4 11.942 0.198 0.930 1.00 32.11 C ATOM 62 OD1 ASP A 4 11.631 -0.736 1.699 1.00 42.24 O ATOM 63 OD2 ASP A 4 12.683 0.049 -0.064 1.00 52.24 O ATOM 0 H ASP A 4 9.882 1.712 -0.724 1.00 53.11 H new ATOM 0 HA ASP A 4 9.560 0.668 1.869 1.00 71.05 H new ATOM 0 HB2 ASP A 4 11.677 2.257 0.413 1.00 11.24 H new ATOM 0 HB3 ASP A 4 11.847 1.965 2.132 1.00 11.24 H new ATOM 68 N PHE A 5 9.492 2.597 3.541 1.00 31.04 N ATOM 69 CA PHE A 5 9.101 3.652 4.470 1.00 64.42 C ATOM 70 C PHE A 5 10.329 4.351 5.046 1.00 21.00 C ATOM 71 O PHE A 5 11.465 4.006 4.720 1.00 40.13 O ATOM 72 CB PHE A 5 8.251 3.074 5.603 1.00 70.41 C ATOM 73 CG PHE A 5 6.774 3.149 5.342 1.00 13.54 C ATOM 74 CD1 PHE A 5 6.062 4.299 5.644 1.00 11.34 C ATOM 75 CD2 PHE A 5 6.097 2.071 4.795 1.00 0.41 C ATOM 76 CE1 PHE A 5 4.702 4.371 5.406 1.00 3.34 C ATOM 77 CE2 PHE A 5 4.738 2.138 4.554 1.00 35.25 C ATOM 78 CZ PHE A 5 4.040 3.290 4.860 1.00 74.23 C ATOM 0 H PHE A 5 9.805 1.736 3.989 1.00 31.04 H new ATOM 0 HA PHE A 5 8.511 4.386 3.921 1.00 64.42 H new ATOM 0 HB2 PHE A 5 8.531 2.033 5.762 1.00 70.41 H new ATOM 0 HB3 PHE A 5 8.477 3.609 6.525 1.00 70.41 H new ATOM 0 HD1 PHE A 5 6.575 5.148 6.070 1.00 11.34 H new ATOM 0 HD2 PHE A 5 6.638 1.168 4.554 1.00 0.41 H new ATOM 0 HE1 PHE A 5 4.158 5.272 5.647 1.00 3.34 H new ATOM 0 HE2 PHE A 5 4.222 1.291 4.127 1.00 35.25 H new ATOM 0 HZ PHE A 5 2.978 3.345 4.672 1.00 74.23 H new ATOM 88 N LYS A 6 10.092 5.337 5.905 1.00 62.31 N ATOM 89 CA LYS A 6 11.177 6.086 6.529 1.00 74.25 C ATOM 90 C LYS A 6 11.374 5.652 7.978 1.00 43.44 C ATOM 91 O LYS A 6 10.492 5.060 8.600 1.00 51.45 O ATOM 92 CB LYS A 6 10.887 7.587 6.469 1.00 13.32 C ATOM 93 CG LYS A 6 11.377 8.252 5.194 1.00 32.52 C ATOM 94 CD LYS A 6 11.470 9.760 5.352 1.00 63.13 C ATOM 95 CE LYS A 6 10.111 10.423 5.186 1.00 65.10 C ATOM 96 NZ LYS A 6 10.236 11.844 4.757 1.00 20.51 N ATOM 0 H LYS A 6 9.158 5.636 6.185 1.00 62.31 H new ATOM 0 HA LYS A 6 12.094 5.877 5.978 1.00 74.25 H new ATOM 0 HB2 LYS A 6 9.812 7.745 6.561 1.00 13.32 H new ATOM 0 HB3 LYS A 6 11.355 8.073 7.325 1.00 13.32 H new ATOM 0 HG2 LYS A 6 12.355 7.852 4.927 1.00 32.52 H new ATOM 0 HG3 LYS A 6 10.700 8.012 4.374 1.00 32.52 H new ATOM 0 HD2 LYS A 6 11.875 10.000 6.335 1.00 63.13 H new ATOM 0 HD3 LYS A 6 12.165 10.162 4.614 1.00 63.13 H new ATOM 0 HE2 LYS A 6 9.525 9.872 4.450 1.00 65.10 H new ATOM 0 HE3 LYS A 6 9.566 10.375 6.129 1.00 65.10 H new ATOM 0 HZ1 LYS A 6 9.289 12.260 4.655 1.00 20.51 H new ATOM 0 HZ2 LYS A 6 10.773 12.376 5.471 1.00 20.51 H new ATOM 0 HZ3 LYS A 6 10.734 11.889 3.845 1.00 20.51 H new ATOM 110 N PRO A 7 12.559 5.954 8.530 1.00 13.21 N ATOM 111 CA PRO A 7 12.899 5.607 9.913 1.00 34.40 C ATOM 112 C PRO A 7 12.106 6.424 10.928 1.00 44.03 C ATOM 113 O PRO A 7 12.140 7.654 10.911 1.00 73.35 O ATOM 114 CB PRO A 7 14.390 5.939 10.006 1.00 31.10 C ATOM 115 CG PRO A 7 14.612 6.980 8.964 1.00 54.12 C ATOM 116 CD PRO A 7 13.657 6.659 7.847 1.00 30.55 C ATOM 0 HA PRO A 7 12.665 4.567 10.141 1.00 34.40 H new ATOM 0 HB2 PRO A 7 14.652 6.309 10.997 1.00 31.10 H new ATOM 0 HB3 PRO A 7 15.004 5.057 9.822 1.00 31.10 H new ATOM 0 HG2 PRO A 7 14.425 7.977 9.363 1.00 54.12 H new ATOM 0 HG3 PRO A 7 15.643 6.966 8.612 1.00 54.12 H new ATOM 0 HD2 PRO A 7 13.306 7.561 7.347 1.00 30.55 H new ATOM 0 HD3 PRO A 7 14.124 6.034 7.086 1.00 30.55 H new ATOM 124 N GLY A 8 11.394 5.732 11.812 1.00 41.01 N ATOM 125 CA GLY A 8 10.604 6.411 12.822 1.00 33.00 C ATOM 126 C GLY A 8 9.272 6.897 12.286 1.00 34.32 C ATOM 127 O GLY A 8 8.747 7.915 12.738 1.00 43.14 O ATOM 0 H GLY A 8 11.350 4.714 11.847 1.00 41.01 H new ATOM 0 HA2 GLY A 8 10.430 5.734 13.659 1.00 33.00 H new ATOM 0 HA3 GLY A 8 11.168 7.260 13.210 1.00 33.00 H new ATOM 131 N ASP A 9 8.723 6.168 11.320 1.00 3.22 N ATOM 132 CA ASP A 9 7.444 6.531 10.721 1.00 20.23 C ATOM 133 C ASP A 9 6.292 5.831 11.436 1.00 52.42 C ATOM 134 O ASP A 9 6.405 4.670 11.829 1.00 31.42 O ATOM 135 CB ASP A 9 7.432 6.171 9.235 1.00 42.12 C ATOM 136 CG ASP A 9 6.546 7.095 8.423 1.00 62.04 C ATOM 137 OD1 ASP A 9 5.309 6.935 8.483 1.00 52.43 O ATOM 138 OD2 ASP A 9 7.090 7.978 7.727 1.00 10.25 O ATOM 0 H ASP A 9 9.144 5.322 10.935 1.00 3.22 H new ATOM 0 HA ASP A 9 7.314 7.608 10.827 1.00 20.23 H new ATOM 0 HB2 ASP A 9 8.449 6.213 8.846 1.00 42.12 H new ATOM 0 HB3 ASP A 9 7.087 5.144 9.116 1.00 42.12 H new ATOM 143 N LEU A 10 5.184 6.546 11.601 1.00 23.13 N ATOM 144 CA LEU A 10 4.011 5.994 12.270 1.00 53.43 C ATOM 145 C LEU A 10 3.149 5.203 11.291 1.00 34.05 C ATOM 146 O LEU A 10 2.580 5.765 10.355 1.00 65.03 O ATOM 147 CB LEU A 10 3.185 7.116 12.902 1.00 4.43 C ATOM 148 CG LEU A 10 3.912 7.988 13.927 1.00 32.14 C ATOM 149 CD1 LEU A 10 4.772 7.131 14.843 1.00 35.43 C ATOM 150 CD2 LEU A 10 4.760 9.040 13.228 1.00 72.04 C ATOM 0 H LEU A 10 5.074 7.508 11.281 1.00 23.13 H new ATOM 0 HA LEU A 10 4.354 5.318 13.053 1.00 53.43 H new ATOM 0 HB2 LEU A 10 2.814 7.760 12.105 1.00 4.43 H new ATOM 0 HB3 LEU A 10 2.314 6.672 13.385 1.00 4.43 H new ATOM 0 HG LEU A 10 3.165 8.498 14.535 1.00 32.14 H new ATOM 0 HD11 LEU A 10 5.281 7.769 15.565 1.00 35.43 H new ATOM 0 HD12 LEU A 10 4.141 6.417 15.371 1.00 35.43 H new ATOM 0 HD13 LEU A 10 5.511 6.593 14.250 1.00 35.43 H new ATOM 0 HD21 LEU A 10 5.270 9.651 13.973 1.00 72.04 H new ATOM 0 HD22 LEU A 10 5.499 8.550 12.594 1.00 72.04 H new ATOM 0 HD23 LEU A 10 4.120 9.675 12.615 1.00 72.04 H new ATOM 162 N ILE A 11 3.054 3.897 11.517 1.00 63.11 N ATOM 163 CA ILE A 11 2.259 3.029 10.657 1.00 13.43 C ATOM 164 C ILE A 11 1.716 1.834 11.433 1.00 25.04 C ATOM 165 O ILE A 11 2.389 1.294 12.312 1.00 31.21 O ATOM 166 CB ILE A 11 3.079 2.519 9.458 1.00 3.11 C ATOM 167 CG1 ILE A 11 4.325 1.776 9.944 1.00 4.11 C ATOM 168 CG2 ILE A 11 3.467 3.677 8.550 1.00 34.13 C ATOM 169 CD1 ILE A 11 4.097 0.299 10.173 1.00 30.53 C ATOM 0 H ILE A 11 3.518 3.417 12.288 1.00 63.11 H new ATOM 0 HA ILE A 11 1.427 3.628 10.288 1.00 13.43 H new ATOM 0 HB ILE A 11 2.464 1.824 8.886 1.00 3.11 H new ATOM 0 HG12 ILE A 11 5.122 1.903 9.212 1.00 4.11 H new ATOM 0 HG13 ILE A 11 4.670 2.230 10.873 1.00 4.11 H new ATOM 0 HG21 ILE A 11 4.046 3.300 7.707 1.00 34.13 H new ATOM 0 HG22 ILE A 11 2.566 4.168 8.181 1.00 34.13 H new ATOM 0 HG23 ILE A 11 4.067 4.394 9.111 1.00 34.13 H new ATOM 0 HD11 ILE A 11 5.023 -0.163 10.516 1.00 30.53 H new ATOM 0 HD12 ILE A 11 3.322 0.163 10.927 1.00 30.53 H new ATOM 0 HD13 ILE A 11 3.782 -0.169 9.241 1.00 30.53 H new ATOM 181 N PHE A 12 0.497 1.424 11.102 1.00 54.22 N ATOM 182 CA PHE A 12 -0.137 0.291 11.767 1.00 5.40 C ATOM 183 C PHE A 12 0.424 -1.028 11.246 1.00 63.45 C ATOM 184 O PHE A 12 0.205 -1.395 10.092 1.00 64.35 O ATOM 185 CB PHE A 12 -1.652 0.332 11.559 1.00 42.41 C ATOM 186 CG PHE A 12 -2.386 1.073 12.640 1.00 4.11 C ATOM 187 CD1 PHE A 12 -1.829 2.197 13.229 1.00 24.42 C ATOM 188 CD2 PHE A 12 -3.632 0.645 13.068 1.00 53.33 C ATOM 189 CE1 PHE A 12 -2.501 2.881 14.224 1.00 33.21 C ATOM 190 CE2 PHE A 12 -4.310 1.326 14.062 1.00 62.42 C ATOM 191 CZ PHE A 12 -3.743 2.444 14.642 1.00 72.14 C ATOM 0 H PHE A 12 -0.073 1.859 10.377 1.00 54.22 H new ATOM 0 HA PHE A 12 0.078 0.361 12.833 1.00 5.40 H new ATOM 0 HB2 PHE A 12 -1.866 0.801 10.599 1.00 42.41 H new ATOM 0 HB3 PHE A 12 -2.031 -0.689 11.507 1.00 42.41 H new ATOM 0 HD1 PHE A 12 -0.858 2.543 12.906 1.00 24.42 H new ATOM 0 HD2 PHE A 12 -4.079 -0.230 12.620 1.00 53.33 H new ATOM 0 HE1 PHE A 12 -2.056 3.756 14.674 1.00 33.21 H new ATOM 0 HE2 PHE A 12 -5.282 0.984 14.385 1.00 62.42 H new ATOM 0 HZ PHE A 12 -4.270 2.975 15.421 1.00 72.14 H new ATOM 201 N ALA A 13 1.149 -1.737 12.105 1.00 64.01 N ATOM 202 CA ALA A 13 1.741 -3.016 11.733 1.00 73.25 C ATOM 203 C ALA A 13 0.707 -4.136 11.788 1.00 11.23 C ATOM 204 O ALA A 13 0.023 -4.314 12.797 1.00 62.45 O ATOM 205 CB ALA A 13 2.919 -3.337 12.640 1.00 32.23 C ATOM 0 H ALA A 13 1.341 -1.447 13.064 1.00 64.01 H new ATOM 0 HA ALA A 13 2.099 -2.938 10.706 1.00 73.25 H new ATOM 0 HB1 ALA A 13 3.351 -4.295 12.350 1.00 32.23 H new ATOM 0 HB2 ALA A 13 3.673 -2.556 12.547 1.00 32.23 H new ATOM 0 HB3 ALA A 13 2.578 -3.391 13.674 1.00 32.23 H new ATOM 211 N LYS A 14 0.597 -4.888 10.698 1.00 12.14 N ATOM 212 CA LYS A 14 -0.353 -5.991 10.622 1.00 32.35 C ATOM 213 C LYS A 14 0.369 -7.334 10.660 1.00 73.54 C ATOM 214 O LYS A 14 0.985 -7.746 9.677 1.00 41.51 O ATOM 215 CB LYS A 14 -1.189 -5.885 9.345 1.00 50.31 C ATOM 216 CG LYS A 14 -2.007 -7.130 9.048 1.00 41.55 C ATOM 217 CD LYS A 14 -2.901 -7.502 10.218 1.00 32.02 C ATOM 218 CE LYS A 14 -4.164 -8.209 9.752 1.00 74.24 C ATOM 219 NZ LYS A 14 -3.864 -9.528 9.129 1.00 41.04 N ATOM 0 H LYS A 14 1.155 -4.753 9.855 1.00 12.14 H new ATOM 0 HA LYS A 14 -1.014 -5.929 11.487 1.00 32.35 H new ATOM 0 HB2 LYS A 14 -1.861 -5.031 9.431 1.00 50.31 H new ATOM 0 HB3 LYS A 14 -0.527 -5.686 8.503 1.00 50.31 H new ATOM 0 HG2 LYS A 14 -2.618 -6.962 8.161 1.00 41.55 H new ATOM 0 HG3 LYS A 14 -1.338 -7.960 8.822 1.00 41.55 H new ATOM 0 HD2 LYS A 14 -2.354 -8.148 10.904 1.00 32.02 H new ATOM 0 HD3 LYS A 14 -3.170 -6.603 10.772 1.00 32.02 H new ATOM 0 HE2 LYS A 14 -4.834 -8.352 10.600 1.00 74.24 H new ATOM 0 HE3 LYS A 14 -4.689 -7.579 9.034 1.00 74.24 H new ATOM 0 HZ1 LYS A 14 -4.753 -9.993 8.855 1.00 41.04 H new ATOM 0 HZ2 LYS A 14 -3.273 -9.387 8.285 1.00 41.04 H new ATOM 0 HZ3 LYS A 14 -3.356 -10.127 9.811 1.00 41.04 H new ATOM 233 N MET A 15 0.287 -8.014 11.799 1.00 74.03 N ATOM 234 CA MET A 15 0.930 -9.312 11.962 1.00 64.43 C ATOM 235 C MET A 15 -0.008 -10.441 11.546 1.00 14.44 C ATOM 236 O MET A 15 -1.179 -10.461 11.928 1.00 41.51 O ATOM 237 CB MET A 15 1.371 -9.508 13.414 1.00 61.34 C ATOM 238 CG MET A 15 2.788 -9.032 13.688 1.00 23.10 C ATOM 239 SD MET A 15 3.313 -9.354 15.383 1.00 64.03 S ATOM 240 CE MET A 15 3.907 -11.038 15.239 1.00 15.02 C ATOM 0 H MET A 15 -0.218 -7.687 12.623 1.00 74.03 H new ATOM 0 HA MET A 15 1.808 -9.338 11.317 1.00 64.43 H new ATOM 0 HB2 MET A 15 0.684 -8.973 14.069 1.00 61.34 H new ATOM 0 HB3 MET A 15 1.296 -10.565 13.668 1.00 61.34 H new ATOM 0 HG2 MET A 15 3.473 -9.527 12.999 1.00 23.10 H new ATOM 0 HG3 MET A 15 2.853 -7.962 13.489 1.00 23.10 H new ATOM 0 HE1 MET A 15 4.267 -11.381 16.209 1.00 15.02 H new ATOM 0 HE2 MET A 15 3.095 -11.683 14.904 1.00 15.02 H new ATOM 0 HE3 MET A 15 4.722 -11.076 14.516 1.00 15.02 H new ATOM 250 N LYS A 16 0.512 -11.379 10.762 1.00 12.33 N ATOM 251 CA LYS A 16 -0.279 -12.511 10.295 1.00 21.34 C ATOM 252 C LYS A 16 -0.937 -13.235 11.466 1.00 54.41 C ATOM 253 O LYS A 16 -0.263 -13.880 12.268 1.00 55.31 O ATOM 254 CB LYS A 16 0.602 -13.486 9.511 1.00 42.25 C ATOM 255 CG LYS A 16 -0.181 -14.572 8.793 1.00 12.34 C ATOM 256 CD LYS A 16 0.731 -15.465 7.969 1.00 34.12 C ATOM 257 CE LYS A 16 -0.043 -16.204 6.888 1.00 65.41 C ATOM 258 NZ LYS A 16 -0.950 -17.236 7.462 1.00 53.10 N ATOM 0 H LYS A 16 1.479 -11.378 10.436 1.00 12.33 H new ATOM 0 HA LYS A 16 -1.062 -12.129 9.640 1.00 21.34 H new ATOM 0 HB2 LYS A 16 1.186 -12.927 8.780 1.00 42.25 H new ATOM 0 HB3 LYS A 16 1.311 -13.953 10.195 1.00 42.25 H new ATOM 0 HG2 LYS A 16 -0.720 -15.176 9.523 1.00 12.34 H new ATOM 0 HG3 LYS A 16 -0.927 -14.115 8.144 1.00 12.34 H new ATOM 0 HD2 LYS A 16 1.515 -14.862 7.510 1.00 34.12 H new ATOM 0 HD3 LYS A 16 1.224 -16.185 8.622 1.00 34.12 H new ATOM 0 HE2 LYS A 16 -0.627 -15.490 6.307 1.00 65.41 H new ATOM 0 HE3 LYS A 16 0.657 -16.678 6.200 1.00 65.41 H new ATOM 0 HZ1 LYS A 16 -1.459 -17.717 6.693 1.00 53.10 H new ATOM 0 HZ2 LYS A 16 -0.391 -17.932 7.995 1.00 53.10 H new ATOM 0 HZ3 LYS A 16 -1.635 -16.781 8.099 1.00 53.10 H new ATOM 272 N GLY A 17 -2.259 -13.123 11.557 1.00 73.44 N ATOM 273 CA GLY A 17 -2.986 -13.773 12.631 1.00 34.14 C ATOM 274 C GLY A 17 -3.376 -12.808 13.734 1.00 73.43 C ATOM 275 O GLY A 17 -3.856 -13.222 14.789 1.00 33.23 O ATOM 0 H GLY A 17 -2.839 -12.594 10.906 1.00 73.44 H new ATOM 0 HA2 GLY A 17 -3.884 -14.240 12.227 1.00 34.14 H new ATOM 0 HA3 GLY A 17 -2.373 -14.571 13.050 1.00 34.14 H new ATOM 279 N TYR A 18 -3.169 -11.519 13.490 1.00 64.30 N ATOM 280 CA TYR A 18 -3.498 -10.493 14.472 1.00 20.10 C ATOM 281 C TYR A 18 -3.971 -9.215 13.787 1.00 42.35 C ATOM 282 O TYR A 18 -3.606 -8.919 12.648 1.00 14.44 O ATOM 283 CB TYR A 18 -2.285 -10.193 15.354 1.00 63.31 C ATOM 284 CG TYR A 18 -1.545 -11.432 15.808 1.00 54.40 C ATOM 285 CD1 TYR A 18 -0.576 -12.020 15.004 1.00 12.44 C ATOM 286 CD2 TYR A 18 -1.816 -12.014 17.040 1.00 75.23 C ATOM 287 CE1 TYR A 18 0.101 -13.151 15.415 1.00 64.54 C ATOM 288 CE2 TYR A 18 -1.143 -13.145 17.459 1.00 61.12 C ATOM 289 CZ TYR A 18 -0.185 -13.710 16.643 1.00 71.13 C ATOM 290 OH TYR A 18 0.487 -14.837 17.056 1.00 61.51 O ATOM 0 H TYR A 18 -2.775 -11.160 12.621 1.00 64.30 H new ATOM 0 HA TYR A 18 -4.308 -10.871 15.096 1.00 20.10 H new ATOM 0 HB2 TYR A 18 -1.597 -9.550 14.805 1.00 63.31 H new ATOM 0 HB3 TYR A 18 -2.613 -9.634 16.231 1.00 63.31 H new ATOM 0 HD1 TYR A 18 -0.349 -11.585 14.042 1.00 12.44 H new ATOM 0 HD2 TYR A 18 -2.566 -11.575 17.681 1.00 75.23 H new ATOM 0 HE1 TYR A 18 0.851 -13.596 14.778 1.00 64.54 H new ATOM 0 HE2 TYR A 18 -1.366 -13.585 18.420 1.00 61.12 H new ATOM 0 HH TYR A 18 0.167 -15.101 17.944 1.00 61.51 H new ATOM 300 N PRO A 19 -4.803 -8.437 14.496 1.00 65.33 N ATOM 301 CA PRO A 19 -5.343 -7.177 13.977 1.00 32.15 C ATOM 302 C PRO A 19 -4.276 -6.094 13.857 1.00 31.43 C ATOM 303 O PRO A 19 -3.134 -6.286 14.275 1.00 4.53 O ATOM 304 CB PRO A 19 -6.389 -6.783 15.023 1.00 33.32 C ATOM 305 CG PRO A 19 -5.936 -7.443 16.280 1.00 72.24 C ATOM 306 CD PRO A 19 -5.279 -8.728 15.858 1.00 22.34 C ATOM 0 HA PRO A 19 -5.747 -7.290 12.971 1.00 32.15 H new ATOM 0 HB2 PRO A 19 -6.442 -5.701 15.141 1.00 33.32 H new ATOM 0 HB3 PRO A 19 -7.384 -7.122 14.735 1.00 33.32 H new ATOM 0 HG2 PRO A 19 -5.237 -6.808 16.825 1.00 72.24 H new ATOM 0 HG3 PRO A 19 -6.778 -7.635 16.945 1.00 72.24 H new ATOM 0 HD2 PRO A 19 -4.457 -8.996 16.522 1.00 22.34 H new ATOM 0 HD3 PRO A 19 -5.982 -9.561 15.869 1.00 22.34 H new ATOM 314 N HIS A 20 -4.656 -4.957 13.284 1.00 2.21 N ATOM 315 CA HIS A 20 -3.731 -3.842 13.110 1.00 22.52 C ATOM 316 C HIS A 20 -3.339 -3.246 14.459 1.00 52.13 C ATOM 317 O HIS A 20 -4.128 -3.253 15.404 1.00 52.54 O ATOM 318 CB HIS A 20 -4.358 -2.765 12.226 1.00 52.35 C ATOM 319 CG HIS A 20 -5.019 -3.309 10.997 1.00 52.45 C ATOM 320 ND1 HIS A 20 -4.455 -4.291 10.210 1.00 4.52 N ATOM 321 CD2 HIS A 20 -6.206 -3.003 10.421 1.00 65.34 C ATOM 322 CE1 HIS A 20 -5.264 -4.564 9.203 1.00 71.52 C ATOM 323 NE2 HIS A 20 -6.334 -3.797 9.308 1.00 71.34 N ATOM 0 H HIS A 20 -5.597 -4.783 12.932 1.00 2.21 H new ATOM 0 HA HIS A 20 -2.831 -4.221 12.625 1.00 22.52 H new ATOM 0 HB2 HIS A 20 -5.094 -2.211 12.809 1.00 52.35 H new ATOM 0 HB3 HIS A 20 -3.586 -2.055 11.929 1.00 52.35 H new ATOM 0 HD2 HIS A 20 -6.919 -2.271 10.772 1.00 65.34 H new ATOM 0 HE1 HIS A 20 -5.082 -5.291 8.425 1.00 71.52 H new ATOM 0 HE2 HIS A 20 -7.127 -3.795 8.666 1.00 71.34 H new ATOM 331 N TRP A 21 -2.117 -2.732 14.540 1.00 32.42 N ATOM 332 CA TRP A 21 -1.621 -2.133 15.774 1.00 50.23 C ATOM 333 C TRP A 21 -0.639 -1.006 15.474 1.00 4.24 C ATOM 334 O TRP A 21 0.196 -1.101 14.575 1.00 44.13 O ATOM 335 CB TRP A 21 -0.949 -3.194 16.646 1.00 4.13 C ATOM 336 CG TRP A 21 -0.342 -2.636 17.898 1.00 32.23 C ATOM 337 CD1 TRP A 21 0.851 -1.982 18.010 1.00 64.01 C ATOM 338 CD2 TRP A 21 -0.900 -2.686 19.216 1.00 5.22 C ATOM 339 NE1 TRP A 21 1.070 -1.622 19.318 1.00 53.01 N ATOM 340 CE2 TRP A 21 0.010 -2.041 20.078 1.00 71.44 C ATOM 341 CE3 TRP A 21 -2.079 -3.210 19.752 1.00 1.21 C ATOM 342 CZ2 TRP A 21 -0.225 -1.910 21.444 1.00 41.34 C ATOM 343 CZ3 TRP A 21 -2.310 -3.079 21.108 1.00 13.41 C ATOM 344 CH2 TRP A 21 -1.388 -2.432 21.941 1.00 24.23 C ATOM 0 H TRP A 21 -1.452 -2.718 13.767 1.00 32.42 H new ATOM 0 HA TRP A 21 -2.471 -1.715 16.314 1.00 50.23 H new ATOM 0 HB2 TRP A 21 -1.684 -3.953 16.914 1.00 4.13 H new ATOM 0 HB3 TRP A 21 -0.173 -3.693 16.066 1.00 4.13 H new ATOM 0 HD1 TRP A 21 1.524 -1.777 17.191 1.00 64.01 H new ATOM 0 HE1 TRP A 21 1.889 -1.124 19.666 1.00 53.01 H new ATOM 0 HE3 TRP A 21 -2.797 -3.709 19.118 1.00 1.21 H new ATOM 0 HZ2 TRP A 21 0.486 -1.414 22.089 1.00 41.34 H new ATOM 0 HZ3 TRP A 21 -3.217 -3.482 21.533 1.00 13.41 H new ATOM 0 HH2 TRP A 21 -1.599 -2.343 22.996 1.00 24.23 H new ATOM 355 N PRO A 22 -0.738 0.088 16.245 1.00 61.41 N ATOM 356 CA PRO A 22 0.135 1.254 16.081 1.00 63.42 C ATOM 357 C PRO A 22 1.572 0.966 16.504 1.00 52.10 C ATOM 358 O PRO A 22 1.843 0.705 17.675 1.00 21.44 O ATOM 359 CB PRO A 22 -0.494 2.301 17.003 1.00 73.23 C ATOM 360 CG PRO A 22 -1.222 1.509 18.034 1.00 53.23 C ATOM 361 CD PRO A 22 -1.710 0.270 17.336 1.00 61.41 C ATOM 0 HA PRO A 22 0.203 1.569 15.040 1.00 63.42 H new ATOM 0 HB2 PRO A 22 0.266 2.937 17.456 1.00 73.23 H new ATOM 0 HB3 PRO A 22 -1.172 2.955 16.455 1.00 73.23 H new ATOM 0 HG2 PRO A 22 -0.566 1.255 18.866 1.00 53.23 H new ATOM 0 HG3 PRO A 22 -2.055 2.078 18.447 1.00 53.23 H new ATOM 0 HD2 PRO A 22 -1.727 -0.589 18.007 1.00 61.41 H new ATOM 0 HD3 PRO A 22 -2.723 0.396 16.955 1.00 61.41 H new ATOM 369 N ALA A 23 2.488 1.017 15.543 1.00 63.21 N ATOM 370 CA ALA A 23 3.897 0.764 15.817 1.00 5.30 C ATOM 371 C ALA A 23 4.783 1.813 15.152 1.00 74.21 C ATOM 372 O ALA A 23 4.288 2.795 14.598 1.00 64.01 O ATOM 373 CB ALA A 23 4.285 -0.630 15.348 1.00 33.41 C ATOM 0 H ALA A 23 2.280 1.231 14.568 1.00 63.21 H new ATOM 0 HA ALA A 23 4.048 0.828 16.895 1.00 5.30 H new ATOM 0 HB1 ALA A 23 5.340 -0.804 15.559 1.00 33.41 H new ATOM 0 HB2 ALA A 23 3.682 -1.371 15.873 1.00 33.41 H new ATOM 0 HB3 ALA A 23 4.111 -0.715 14.275 1.00 33.41 H new ATOM 379 N ARG A 24 6.093 1.598 15.211 1.00 12.10 N ATOM 380 CA ARG A 24 7.047 2.526 14.616 1.00 53.22 C ATOM 381 C ARG A 24 8.127 1.775 13.843 1.00 31.44 C ATOM 382 O ARG A 24 8.611 0.733 14.286 1.00 34.33 O ATOM 383 CB ARG A 24 7.690 3.394 15.699 1.00 52.31 C ATOM 384 CG ARG A 24 8.906 4.168 15.217 1.00 61.02 C ATOM 385 CD ARG A 24 10.200 3.469 15.603 1.00 21.22 C ATOM 386 NE ARG A 24 10.600 3.776 16.974 1.00 44.34 N ATOM 387 CZ ARG A 24 11.204 4.906 17.327 1.00 61.41 C ATOM 388 NH1 ARG A 24 11.475 5.829 16.415 1.00 4.55 N ATOM 389 NH2 ARG A 24 11.537 5.113 18.595 1.00 64.45 N ATOM 0 H ARG A 24 6.518 0.789 15.665 1.00 12.10 H new ATOM 0 HA ARG A 24 6.506 3.167 13.920 1.00 53.22 H new ATOM 0 HB2 ARG A 24 6.948 4.098 16.077 1.00 52.31 H new ATOM 0 HB3 ARG A 24 7.982 2.759 16.536 1.00 52.31 H new ATOM 0 HG2 ARG A 24 8.861 4.281 14.134 1.00 61.02 H new ATOM 0 HG3 ARG A 24 8.892 5.171 15.643 1.00 61.02 H new ATOM 0 HD2 ARG A 24 10.076 2.392 15.494 1.00 21.22 H new ATOM 0 HD3 ARG A 24 10.993 3.770 14.918 1.00 21.22 H new ATOM 0 HE ARG A 24 10.405 3.086 17.699 1.00 44.34 H new ATOM 0 HH11 ARG A 24 11.220 5.673 15.440 1.00 4.55 H new ATOM 0 HH12 ARG A 24 11.939 6.695 16.688 1.00 4.55 H new ATOM 0 HH21 ARG A 24 11.329 4.405 19.299 1.00 64.45 H new ATOM 0 HH22 ARG A 24 12.001 5.980 18.865 1.00 64.45 H new ATOM 403 N VAL A 25 8.500 2.310 12.685 1.00 4.25 N ATOM 404 CA VAL A 25 9.523 1.691 11.851 1.00 24.04 C ATOM 405 C VAL A 25 10.921 1.993 12.381 1.00 51.15 C ATOM 406 O VAL A 25 11.234 3.135 12.719 1.00 64.41 O ATOM 407 CB VAL A 25 9.424 2.172 10.392 1.00 61.15 C ATOM 408 CG1 VAL A 25 10.411 1.419 9.513 1.00 61.33 C ATOM 409 CG2 VAL A 25 8.003 2.009 9.873 1.00 64.43 C ATOM 0 H VAL A 25 8.109 3.171 12.303 1.00 4.25 H new ATOM 0 HA VAL A 25 9.350 0.615 11.883 1.00 24.04 H new ATOM 0 HB VAL A 25 9.680 3.231 10.359 1.00 61.15 H new ATOM 0 HG11 VAL A 25 10.326 1.773 8.485 1.00 61.33 H new ATOM 0 HG12 VAL A 25 11.425 1.592 9.874 1.00 61.33 H new ATOM 0 HG13 VAL A 25 10.190 0.352 9.549 1.00 61.33 H new ATOM 0 HG21 VAL A 25 7.951 2.354 8.840 1.00 64.43 H new ATOM 0 HG22 VAL A 25 7.717 0.958 9.920 1.00 64.43 H new ATOM 0 HG23 VAL A 25 7.322 2.598 10.487 1.00 64.43 H new ATOM 419 N ASP A 26 11.757 0.963 12.449 1.00 50.12 N ATOM 420 CA ASP A 26 13.123 1.118 12.935 1.00 31.04 C ATOM 421 C ASP A 26 14.116 1.117 11.777 1.00 12.42 C ATOM 422 O ASP A 26 13.776 0.739 10.657 1.00 71.21 O ATOM 423 CB ASP A 26 13.467 -0.002 13.919 1.00 52.22 C ATOM 424 CG ASP A 26 14.591 0.380 14.861 1.00 45.11 C ATOM 425 OD1 ASP A 26 14.442 1.386 15.585 1.00 1.04 O ATOM 426 OD2 ASP A 26 15.621 -0.326 14.873 1.00 24.42 O ATOM 0 H ASP A 26 11.513 0.012 12.174 1.00 50.12 H new ATOM 0 HA ASP A 26 13.193 2.077 13.449 1.00 31.04 H new ATOM 0 HB2 ASP A 26 12.580 -0.256 14.500 1.00 52.22 H new ATOM 0 HB3 ASP A 26 13.751 -0.896 13.363 1.00 52.22 H new ATOM 431 N GLU A 27 15.343 1.545 12.056 1.00 2.12 N ATOM 432 CA GLU A 27 16.384 1.595 11.036 1.00 1.33 C ATOM 433 C GLU A 27 17.057 0.235 10.878 1.00 74.32 C ATOM 434 O GLU A 27 16.871 -0.662 11.701 1.00 3.41 O ATOM 435 CB GLU A 27 17.429 2.654 11.394 1.00 0.32 C ATOM 436 CG GLU A 27 16.904 4.078 11.318 1.00 74.00 C ATOM 437 CD GLU A 27 17.777 5.063 12.071 1.00 52.14 C ATOM 438 OE1 GLU A 27 18.928 5.283 11.640 1.00 5.13 O ATOM 439 OE2 GLU A 27 17.309 5.614 13.089 1.00 22.41 O ATOM 0 H GLU A 27 15.640 1.862 12.979 1.00 2.12 H new ATOM 0 HA GLU A 27 15.916 1.862 10.089 1.00 1.33 H new ATOM 0 HB2 GLU A 27 17.795 2.464 12.403 1.00 0.32 H new ATOM 0 HB3 GLU A 27 18.281 2.553 10.721 1.00 0.32 H new ATOM 0 HG2 GLU A 27 16.838 4.382 10.273 1.00 74.00 H new ATOM 0 HG3 GLU A 27 15.893 4.111 11.724 1.00 74.00 H new ATOM 585 N ASN A 38 12.762 -9.837 3.057 1.00 41.23 N ATOM 586 CA ASN A 38 11.949 -8.939 2.244 1.00 61.41 C ATOM 587 C ASN A 38 10.989 -8.136 3.115 1.00 11.34 C ATOM 588 O ASN A 38 9.933 -7.700 2.657 1.00 73.04 O ATOM 589 CB ASN A 38 11.163 -9.735 1.199 1.00 4.23 C ATOM 590 CG ASN A 38 11.964 -9.977 -0.065 1.00 64.34 C ATOM 591 OD1 ASN A 38 12.120 -9.082 -0.896 1.00 74.23 O ATOM 592 ND2 ASN A 38 12.477 -11.193 -0.217 1.00 4.33 N ATOM 0 HA ASN A 38 12.617 -8.244 1.735 1.00 61.41 H new ATOM 0 HB2 ASN A 38 10.864 -10.693 1.625 1.00 4.23 H new ATOM 0 HB3 ASN A 38 10.248 -9.197 0.949 1.00 4.23 H new ATOM 0 HD21 ASN A 38 13.025 -11.415 -1.048 1.00 4.33 H new ATOM 0 HD22 ASN A 38 12.323 -11.905 0.497 1.00 4.33 H new ATOM 599 N LYS A 39 11.363 -7.942 4.376 1.00 62.44 N ATOM 600 CA LYS A 39 10.538 -7.190 5.313 1.00 53.34 C ATOM 601 C LYS A 39 11.369 -6.148 6.054 1.00 13.33 C ATOM 602 O LYS A 39 12.589 -6.087 5.899 1.00 41.42 O ATOM 603 CB LYS A 39 9.875 -8.137 6.315 1.00 21.13 C ATOM 604 CG LYS A 39 9.056 -9.237 5.663 1.00 61.41 C ATOM 605 CD LYS A 39 9.102 -10.522 6.473 1.00 0.14 C ATOM 606 CE LYS A 39 7.829 -11.336 6.300 1.00 61.21 C ATOM 607 NZ LYS A 39 7.705 -12.399 7.335 1.00 22.15 N ATOM 0 H LYS A 39 12.234 -8.296 4.772 1.00 62.44 H new ATOM 0 HA LYS A 39 9.764 -6.674 4.744 1.00 53.34 H new ATOM 0 HB2 LYS A 39 10.646 -8.590 6.938 1.00 21.13 H new ATOM 0 HB3 LYS A 39 9.230 -7.559 6.976 1.00 21.13 H new ATOM 0 HG2 LYS A 39 8.022 -8.909 5.559 1.00 61.41 H new ATOM 0 HG3 LYS A 39 9.433 -9.426 4.658 1.00 61.41 H new ATOM 0 HD2 LYS A 39 9.961 -11.118 6.164 1.00 0.14 H new ATOM 0 HD3 LYS A 39 9.242 -10.284 7.527 1.00 0.14 H new ATOM 0 HE2 LYS A 39 6.965 -10.674 6.354 1.00 61.21 H new ATOM 0 HE3 LYS A 39 7.821 -11.791 5.310 1.00 61.21 H new ATOM 0 HZ1 LYS A 39 6.825 -12.931 7.182 1.00 22.15 H new ATOM 0 HZ2 LYS A 39 8.517 -13.046 7.267 1.00 22.15 H new ATOM 0 HZ3 LYS A 39 7.687 -11.964 8.279 1.00 22.15 H new ATOM 621 N LEU A 40 10.701 -5.331 6.862 1.00 42.13 N ATOM 622 CA LEU A 40 11.379 -4.292 7.629 1.00 13.25 C ATOM 623 C LEU A 40 11.085 -4.437 9.119 1.00 1.42 C ATOM 624 O LEU A 40 10.099 -5.051 9.526 1.00 54.12 O ATOM 625 CB LEU A 40 10.945 -2.907 7.145 1.00 60.33 C ATOM 626 CG LEU A 40 9.484 -2.775 6.713 1.00 42.42 C ATOM 627 CD1 LEU A 40 8.974 -1.367 6.982 1.00 72.52 C ATOM 628 CD2 LEU A 40 9.329 -3.128 5.241 1.00 42.23 C ATOM 0 H LEU A 40 9.691 -5.368 7.003 1.00 42.13 H new ATOM 0 HA LEU A 40 12.452 -4.404 7.476 1.00 13.25 H new ATOM 0 HB2 LEU A 40 11.133 -2.189 7.944 1.00 60.33 H new ATOM 0 HB3 LEU A 40 11.579 -2.622 6.305 1.00 60.33 H new ATOM 0 HG LEU A 40 8.887 -3.474 7.298 1.00 42.42 H new ATOM 0 HD11 LEU A 40 7.933 -1.291 6.669 1.00 72.52 H new ATOM 0 HD12 LEU A 40 9.049 -1.150 8.048 1.00 72.52 H new ATOM 0 HD13 LEU A 40 9.574 -0.649 6.423 1.00 72.52 H new ATOM 0 HD21 LEU A 40 8.283 -3.029 4.951 1.00 42.23 H new ATOM 0 HD22 LEU A 40 9.938 -2.454 4.639 1.00 42.23 H new ATOM 0 HD23 LEU A 40 9.655 -4.155 5.077 1.00 42.23 H new ATOM 640 N PRO A 41 11.960 -3.856 9.954 1.00 32.12 N ATOM 641 CA PRO A 41 11.814 -3.904 11.412 1.00 21.30 C ATOM 642 C PRO A 41 10.638 -3.068 11.905 1.00 5.41 C ATOM 643 O PRO A 41 10.572 -1.864 11.652 1.00 32.31 O ATOM 644 CB PRO A 41 13.135 -3.322 11.920 1.00 3.10 C ATOM 645 CG PRO A 41 13.616 -2.450 10.812 1.00 71.03 C ATOM 646 CD PRO A 41 13.158 -3.108 9.539 1.00 1.43 C ATOM 0 HA PRO A 41 11.613 -4.914 11.768 1.00 21.30 H new ATOM 0 HB2 PRO A 41 12.990 -2.752 12.838 1.00 3.10 H new ATOM 0 HB3 PRO A 41 13.854 -4.110 12.145 1.00 3.10 H new ATOM 0 HG2 PRO A 41 13.206 -1.444 10.901 1.00 71.03 H new ATOM 0 HG3 PRO A 41 14.702 -2.355 10.833 1.00 71.03 H new ATOM 0 HD2 PRO A 41 12.926 -2.373 8.768 1.00 1.43 H new ATOM 0 HD3 PRO A 41 13.923 -3.769 9.130 1.00 1.43 H new ATOM 654 N ILE A 42 9.714 -3.712 12.610 1.00 42.43 N ATOM 655 CA ILE A 42 8.542 -3.025 13.139 1.00 23.42 C ATOM 656 C ILE A 42 8.514 -3.081 14.663 1.00 64.02 C ATOM 657 O ILE A 42 8.227 -4.123 15.252 1.00 71.44 O ATOM 658 CB ILE A 42 7.238 -3.634 12.591 1.00 41.45 C ATOM 659 CG1 ILE A 42 7.322 -3.790 11.071 1.00 43.22 C ATOM 660 CG2 ILE A 42 6.047 -2.768 12.974 1.00 4.23 C ATOM 661 CD1 ILE A 42 7.554 -2.485 10.341 1.00 21.12 C ATOM 0 H ILE A 42 9.754 -4.708 12.828 1.00 42.43 H new ATOM 0 HA ILE A 42 8.612 -1.986 12.817 1.00 23.42 H new ATOM 0 HB ILE A 42 7.102 -4.621 13.032 1.00 41.45 H new ATOM 0 HG12 ILE A 42 8.130 -4.481 10.829 1.00 43.22 H new ATOM 0 HG13 ILE A 42 6.398 -4.240 10.709 1.00 43.22 H new ATOM 0 HG21 ILE A 42 5.133 -3.212 12.579 1.00 4.23 H new ATOM 0 HG22 ILE A 42 5.979 -2.702 14.060 1.00 4.23 H new ATOM 0 HG23 ILE A 42 6.175 -1.769 12.557 1.00 4.23 H new ATOM 0 HD11 ILE A 42 7.603 -2.672 9.268 1.00 21.12 H new ATOM 0 HD12 ILE A 42 6.734 -1.799 10.553 1.00 21.12 H new ATOM 0 HD13 ILE A 42 8.493 -2.043 10.675 1.00 21.12 H new ATOM 673 N PHE A 43 8.813 -1.952 15.296 1.00 4.32 N ATOM 674 CA PHE A 43 8.822 -1.871 16.752 1.00 11.12 C ATOM 675 C PHE A 43 7.403 -1.733 17.298 1.00 45.35 C ATOM 676 O PHE A 43 6.776 -0.682 17.167 1.00 53.32 O ATOM 677 CB PHE A 43 9.675 -0.688 17.214 1.00 43.34 C ATOM 678 CG PHE A 43 9.961 -0.693 18.688 1.00 34.32 C ATOM 679 CD1 PHE A 43 10.432 -1.838 19.312 1.00 54.43 C ATOM 680 CD2 PHE A 43 9.758 0.446 19.451 1.00 65.33 C ATOM 681 CE1 PHE A 43 10.694 -1.846 20.669 1.00 41.54 C ATOM 682 CE2 PHE A 43 10.020 0.444 20.808 1.00 33.21 C ATOM 683 CZ PHE A 43 10.489 -0.703 21.417 1.00 21.24 C ATOM 0 H PHE A 43 9.052 -1.080 14.824 1.00 4.32 H new ATOM 0 HA PHE A 43 9.254 -2.794 17.139 1.00 11.12 H new ATOM 0 HB2 PHE A 43 10.619 -0.697 16.669 1.00 43.34 H new ATOM 0 HB3 PHE A 43 9.166 0.240 16.954 1.00 43.34 H new ATOM 0 HD1 PHE A 43 10.596 -2.734 18.731 1.00 54.43 H new ATOM 0 HD2 PHE A 43 9.391 1.346 18.980 1.00 65.33 H new ATOM 0 HE1 PHE A 43 11.059 -2.745 21.144 1.00 41.54 H new ATOM 0 HE2 PHE A 43 9.858 1.338 21.391 1.00 33.21 H new ATOM 0 HZ PHE A 43 10.695 -0.706 22.477 1.00 21.24 H new ATOM 693 N PHE A 44 6.904 -2.802 17.909 1.00 43.11 N ATOM 694 CA PHE A 44 5.560 -2.802 18.473 1.00 14.31 C ATOM 695 C PHE A 44 5.515 -2.001 19.772 1.00 73.45 C ATOM 696 O PHE A 44 6.090 -2.404 20.783 1.00 62.54 O ATOM 697 CB PHE A 44 5.090 -4.236 18.728 1.00 3.50 C ATOM 698 CG PHE A 44 4.334 -4.833 17.576 1.00 45.34 C ATOM 699 CD1 PHE A 44 2.962 -4.672 17.473 1.00 61.45 C ATOM 700 CD2 PHE A 44 4.996 -5.555 16.596 1.00 44.13 C ATOM 701 CE1 PHE A 44 2.264 -5.220 16.413 1.00 35.41 C ATOM 702 CE2 PHE A 44 4.303 -6.105 15.534 1.00 43.31 C ATOM 703 CZ PHE A 44 2.935 -5.938 15.443 1.00 21.31 C ATOM 0 H PHE A 44 7.410 -3.680 18.026 1.00 43.11 H new ATOM 0 HA PHE A 44 4.891 -2.331 17.753 1.00 14.31 H new ATOM 0 HB2 PHE A 44 5.956 -4.860 18.946 1.00 3.50 H new ATOM 0 HB3 PHE A 44 4.456 -4.250 19.614 1.00 3.50 H new ATOM 0 HD1 PHE A 44 2.432 -4.112 18.229 1.00 61.45 H new ATOM 0 HD2 PHE A 44 6.066 -5.690 16.663 1.00 44.13 H new ATOM 0 HE1 PHE A 44 1.195 -5.087 16.344 1.00 35.41 H new ATOM 0 HE2 PHE A 44 4.831 -6.665 14.776 1.00 43.31 H new ATOM 0 HZ PHE A 44 2.391 -6.368 14.615 1.00 21.31 H new ATOM 713 N PHE A 45 4.827 -0.865 19.735 1.00 3.35 N ATOM 714 CA PHE A 45 4.708 -0.006 20.908 1.00 11.00 C ATOM 715 C PHE A 45 3.655 -0.545 21.872 1.00 21.21 C ATOM 716 O PHE A 45 2.635 -1.090 21.453 1.00 13.30 O ATOM 717 CB PHE A 45 4.348 1.420 20.487 1.00 14.33 C ATOM 718 CG PHE A 45 5.544 2.305 20.281 1.00 31.23 C ATOM 719 CD1 PHE A 45 6.531 2.395 21.250 1.00 74.22 C ATOM 720 CD2 PHE A 45 5.682 3.047 19.119 1.00 35.31 C ATOM 721 CE1 PHE A 45 7.633 3.207 21.063 1.00 10.53 C ATOM 722 CE2 PHE A 45 6.782 3.861 18.927 1.00 72.32 C ATOM 723 CZ PHE A 45 7.758 3.942 19.901 1.00 41.25 C ATOM 0 H PHE A 45 4.344 -0.518 18.907 1.00 3.35 H new ATOM 0 HA PHE A 45 5.671 0.005 21.419 1.00 11.00 H new ATOM 0 HB2 PHE A 45 3.770 1.383 19.563 1.00 14.33 H new ATOM 0 HB3 PHE A 45 3.705 1.863 21.247 1.00 14.33 H new ATOM 0 HD1 PHE A 45 6.438 1.824 22.162 1.00 74.22 H new ATOM 0 HD2 PHE A 45 4.921 2.988 18.355 1.00 35.31 H new ATOM 0 HE1 PHE A 45 8.396 3.267 21.825 1.00 10.53 H new ATOM 0 HE2 PHE A 45 6.878 4.433 18.016 1.00 72.32 H new ATOM 0 HZ PHE A 45 8.617 4.579 19.754 1.00 41.25 H new ATOM 733 N GLY A 46 3.912 -0.389 23.167 1.00 21.54 N ATOM 734 CA GLY A 46 2.979 -0.866 24.171 1.00 11.03 C ATOM 735 C GLY A 46 3.297 -2.273 24.638 1.00 43.34 C ATOM 736 O GLY A 46 3.142 -2.595 25.816 1.00 20.11 O ATOM 0 H GLY A 46 4.750 0.059 23.539 1.00 21.54 H new ATOM 0 HA2 GLY A 46 2.994 -0.191 25.026 1.00 11.03 H new ATOM 0 HA3 GLY A 46 1.968 -0.842 23.764 1.00 11.03 H new ATOM 740 N THR A 47 3.743 -3.115 23.711 1.00 60.22 N ATOM 741 CA THR A 47 4.081 -4.496 24.032 1.00 2.12 C ATOM 742 C THR A 47 5.584 -4.731 23.935 1.00 2.32 C ATOM 743 O THR A 47 6.074 -5.818 24.243 1.00 41.10 O ATOM 744 CB THR A 47 3.357 -5.484 23.098 1.00 44.33 C ATOM 745 OG1 THR A 47 3.795 -5.291 21.748 1.00 70.41 O ATOM 746 CG2 THR A 47 1.850 -5.299 23.179 1.00 74.24 C ATOM 0 H THR A 47 3.879 -2.864 22.732 1.00 60.22 H new ATOM 0 HA THR A 47 3.754 -4.671 25.057 1.00 2.12 H new ATOM 0 HB THR A 47 3.600 -6.497 23.417 1.00 44.33 H new ATOM 0 HG1 THR A 47 3.213 -5.794 21.140 1.00 70.41 H new ATOM 0 HG21 THR A 47 1.360 -6.007 22.511 1.00 74.24 H new ATOM 0 HG22 THR A 47 1.516 -5.474 24.202 1.00 74.24 H new ATOM 0 HG23 THR A 47 1.592 -4.282 22.882 1.00 74.24 H new ATOM 754 N HIS A 48 6.312 -3.705 23.506 1.00 4.31 N ATOM 755 CA HIS A 48 7.762 -3.800 23.370 1.00 55.41 C ATOM 756 C HIS A 48 8.150 -5.008 22.523 1.00 33.03 C ATOM 757 O HIS A 48 9.178 -5.640 22.763 1.00 73.40 O ATOM 758 CB HIS A 48 8.419 -3.895 24.747 1.00 42.40 C ATOM 759 CG HIS A 48 8.448 -2.593 25.488 1.00 30.40 C ATOM 760 ND1 HIS A 48 8.255 -1.374 24.875 1.00 43.54 N ATOM 761 CD2 HIS A 48 8.647 -2.326 26.800 1.00 51.11 C ATOM 762 CE1 HIS A 48 8.336 -0.412 25.777 1.00 42.12 C ATOM 763 NE2 HIS A 48 8.573 -0.963 26.953 1.00 33.35 N ATOM 0 H HIS A 48 5.922 -2.799 23.247 1.00 4.31 H new ATOM 0 HA HIS A 48 8.115 -2.899 22.869 1.00 55.41 H new ATOM 0 HB2 HIS A 48 7.884 -4.632 25.346 1.00 42.40 H new ATOM 0 HB3 HIS A 48 9.439 -4.259 24.629 1.00 42.40 H new ATOM 0 HD2 HIS A 48 8.830 -3.050 27.581 1.00 51.11 H new ATOM 0 HE1 HIS A 48 8.227 0.645 25.585 1.00 42.12 H new ATOM 0 HE2 HIS A 48 8.683 -0.458 27.833 1.00 33.35 H new ATOM 771 N GLU A 49 7.320 -5.322 21.534 1.00 73.54 N ATOM 772 CA GLU A 49 7.576 -6.456 20.653 1.00 25.22 C ATOM 773 C GLU A 49 8.187 -5.993 19.334 1.00 50.04 C ATOM 774 O GLU A 49 8.335 -4.795 19.091 1.00 54.34 O ATOM 775 CB GLU A 49 6.282 -7.227 20.386 1.00 13.42 C ATOM 776 CG GLU A 49 5.573 -7.682 21.651 1.00 72.25 C ATOM 777 CD GLU A 49 4.228 -8.323 21.367 1.00 40.13 C ATOM 778 OE1 GLU A 49 3.593 -7.946 20.360 1.00 53.33 O ATOM 779 OE2 GLU A 49 3.811 -9.200 22.151 1.00 71.51 O ATOM 0 H GLU A 49 6.465 -4.808 21.322 1.00 73.54 H new ATOM 0 HA GLU A 49 8.286 -7.116 21.151 1.00 25.22 H new ATOM 0 HB2 GLU A 49 5.606 -6.597 19.807 1.00 13.42 H new ATOM 0 HB3 GLU A 49 6.508 -8.099 19.773 1.00 13.42 H new ATOM 0 HG2 GLU A 49 6.206 -8.393 22.182 1.00 72.25 H new ATOM 0 HG3 GLU A 49 5.432 -6.827 22.312 1.00 72.25 H new ATOM 786 N THR A 50 8.541 -6.952 18.483 1.00 3.33 N ATOM 787 CA THR A 50 9.137 -6.644 17.190 1.00 43.25 C ATOM 788 C THR A 50 8.866 -7.754 16.181 1.00 73.11 C ATOM 789 O THR A 50 9.185 -8.917 16.423 1.00 24.52 O ATOM 790 CB THR A 50 10.659 -6.434 17.308 1.00 53.15 C ATOM 791 OG1 THR A 50 11.261 -6.471 16.009 1.00 55.43 O ATOM 792 CG2 THR A 50 11.285 -7.501 18.193 1.00 42.33 C ATOM 0 H THR A 50 8.425 -7.948 18.667 1.00 3.33 H new ATOM 0 HA THR A 50 8.676 -5.720 16.842 1.00 43.25 H new ATOM 0 HB THR A 50 10.835 -5.459 17.762 1.00 53.15 H new ATOM 0 HG1 THR A 50 12.228 -6.335 16.093 1.00 55.43 H new ATOM 0 HG21 THR A 50 12.360 -7.332 18.262 1.00 42.33 H new ATOM 0 HG22 THR A 50 10.846 -7.451 19.189 1.00 42.33 H new ATOM 0 HG23 THR A 50 11.099 -8.485 17.763 1.00 42.33 H new ATOM 800 N ALA A 51 8.275 -7.387 15.049 1.00 54.03 N ATOM 801 CA ALA A 51 7.963 -8.352 14.002 1.00 73.21 C ATOM 802 C ALA A 51 8.395 -7.837 12.633 1.00 3.14 C ATOM 803 O ALA A 51 8.291 -6.644 12.347 1.00 65.12 O ATOM 804 CB ALA A 51 6.475 -8.669 14.002 1.00 15.14 C ATOM 0 H ALA A 51 8.003 -6.428 14.833 1.00 54.03 H new ATOM 0 HA ALA A 51 8.519 -9.267 14.209 1.00 73.21 H new ATOM 0 HB1 ALA A 51 6.257 -9.391 13.215 1.00 15.14 H new ATOM 0 HB2 ALA A 51 6.192 -9.088 14.968 1.00 15.14 H new ATOM 0 HB3 ALA A 51 5.908 -7.755 13.823 1.00 15.14 H new ATOM 810 N PHE A 52 8.881 -8.743 11.792 1.00 65.23 N ATOM 811 CA PHE A 52 9.332 -8.380 10.453 1.00 12.53 C ATOM 812 C PHE A 52 8.191 -8.494 9.446 1.00 64.01 C ATOM 813 O PHE A 52 7.711 -9.591 9.157 1.00 51.23 O ATOM 814 CB PHE A 52 10.498 -9.273 10.024 1.00 12.53 C ATOM 815 CG PHE A 52 11.812 -8.876 10.634 1.00 21.51 C ATOM 816 CD1 PHE A 52 12.283 -7.579 10.515 1.00 12.34 C ATOM 817 CD2 PHE A 52 12.576 -9.802 11.326 1.00 5.34 C ATOM 818 CE1 PHE A 52 13.492 -7.212 11.075 1.00 42.01 C ATOM 819 CE2 PHE A 52 13.787 -9.441 11.889 1.00 54.45 C ATOM 820 CZ PHE A 52 14.244 -8.144 11.763 1.00 4.34 C ATOM 0 H PHE A 52 8.973 -9.734 12.013 1.00 65.23 H new ATOM 0 HA PHE A 52 9.669 -7.344 10.479 1.00 12.53 H new ATOM 0 HB2 PHE A 52 10.276 -10.304 10.298 1.00 12.53 H new ATOM 0 HB3 PHE A 52 10.587 -9.244 8.938 1.00 12.53 H new ATOM 0 HD1 PHE A 52 11.699 -6.846 9.978 1.00 12.34 H new ATOM 0 HD2 PHE A 52 12.222 -10.817 11.427 1.00 5.34 H new ATOM 0 HE1 PHE A 52 13.848 -6.197 10.975 1.00 42.01 H new ATOM 0 HE2 PHE A 52 14.374 -10.172 12.426 1.00 54.45 H new ATOM 0 HZ PHE A 52 15.189 -7.859 12.202 1.00 4.34 H new ATOM 830 N LEU A 53 7.762 -7.354 8.915 1.00 23.33 N ATOM 831 CA LEU A 53 6.678 -7.325 7.940 1.00 14.12 C ATOM 832 C LEU A 53 7.003 -6.375 6.792 1.00 1.22 C ATOM 833 O LEU A 53 7.472 -5.259 7.011 1.00 44.24 O ATOM 834 CB LEU A 53 5.371 -6.901 8.614 1.00 43.23 C ATOM 835 CG LEU A 53 5.075 -7.544 9.969 1.00 60.33 C ATOM 836 CD1 LEU A 53 4.014 -6.751 10.716 1.00 72.34 C ATOM 837 CD2 LEU A 53 4.635 -8.990 9.788 1.00 54.41 C ATOM 0 H LEU A 53 8.148 -6.438 9.143 1.00 23.33 H new ATOM 0 HA LEU A 53 6.561 -8.330 7.533 1.00 14.12 H new ATOM 0 HB2 LEU A 53 5.387 -5.819 8.744 1.00 43.23 H new ATOM 0 HB3 LEU A 53 4.547 -7.129 7.938 1.00 43.23 H new ATOM 0 HG LEU A 53 5.990 -7.535 10.562 1.00 60.33 H new ATOM 0 HD11 LEU A 53 3.817 -7.224 11.678 1.00 72.34 H new ATOM 0 HD12 LEU A 53 4.368 -5.733 10.878 1.00 72.34 H new ATOM 0 HD13 LEU A 53 3.096 -6.727 10.128 1.00 72.34 H new ATOM 0 HD21 LEU A 53 4.428 -9.432 10.763 1.00 54.41 H new ATOM 0 HD22 LEU A 53 3.733 -9.022 9.177 1.00 54.41 H new ATOM 0 HD23 LEU A 53 5.428 -9.553 9.295 1.00 54.41 H new ATOM 849 N GLY A 54 6.748 -6.825 5.567 1.00 21.23 N ATOM 850 CA GLY A 54 7.018 -6.002 4.403 1.00 2.01 C ATOM 851 C GLY A 54 6.157 -4.755 4.363 1.00 43.05 C ATOM 852 O GLY A 54 5.312 -4.530 5.229 1.00 74.15 O ATOM 0 H GLY A 54 6.359 -7.745 5.360 1.00 21.23 H new ATOM 0 HA2 GLY A 54 8.069 -5.714 4.401 1.00 2.01 H new ATOM 0 HA3 GLY A 54 6.846 -6.588 3.500 1.00 2.01 H new ATOM 856 N PRO A 55 6.371 -3.917 3.337 1.00 34.11 N ATOM 857 CA PRO A 55 5.618 -2.671 3.163 1.00 20.21 C ATOM 858 C PRO A 55 4.162 -2.921 2.784 1.00 65.33 C ATOM 859 O PRO A 55 3.267 -2.183 3.194 1.00 1.41 O ATOM 860 CB PRO A 55 6.355 -1.968 2.021 1.00 62.14 C ATOM 861 CG PRO A 55 7.006 -3.068 1.256 1.00 61.51 C ATOM 862 CD PRO A 55 7.362 -4.122 2.268 1.00 5.21 C ATOM 0 HA PRO A 55 5.575 -2.089 4.083 1.00 20.21 H new ATOM 0 HB2 PRO A 55 5.666 -1.403 1.393 1.00 62.14 H new ATOM 0 HB3 PRO A 55 7.092 -1.261 2.402 1.00 62.14 H new ATOM 0 HG2 PRO A 55 6.333 -3.467 0.497 1.00 61.51 H new ATOM 0 HG3 PRO A 55 7.895 -2.709 0.737 1.00 61.51 H new ATOM 0 HD2 PRO A 55 7.295 -5.124 1.845 1.00 5.21 H new ATOM 0 HD3 PRO A 55 8.381 -3.999 2.635 1.00 5.21 H new ATOM 870 N LYS A 56 3.932 -3.968 1.998 1.00 42.31 N ATOM 871 CA LYS A 56 2.585 -4.317 1.564 1.00 72.32 C ATOM 872 C LYS A 56 1.761 -4.859 2.728 1.00 5.11 C ATOM 873 O LYS A 56 0.547 -5.025 2.617 1.00 33.41 O ATOM 874 CB LYS A 56 2.642 -5.354 0.440 1.00 70.32 C ATOM 875 CG LYS A 56 2.752 -4.743 -0.946 1.00 73.34 C ATOM 876 CD LYS A 56 4.202 -4.550 -1.357 1.00 52.13 C ATOM 877 CE LYS A 56 4.860 -5.873 -1.720 1.00 15.51 C ATOM 878 NZ LYS A 56 4.227 -6.498 -2.914 1.00 51.43 N ATOM 0 H LYS A 56 4.662 -4.589 1.649 1.00 42.31 H new ATOM 0 HA LYS A 56 2.105 -3.412 1.192 1.00 72.32 H new ATOM 0 HB2 LYS A 56 3.495 -6.012 0.607 1.00 70.32 H new ATOM 0 HB3 LYS A 56 1.747 -5.975 0.484 1.00 70.32 H new ATOM 0 HG2 LYS A 56 2.251 -5.386 -1.669 1.00 73.34 H new ATOM 0 HG3 LYS A 56 2.237 -3.782 -0.963 1.00 73.34 H new ATOM 0 HD2 LYS A 56 4.253 -3.872 -2.209 1.00 52.13 H new ATOM 0 HD3 LYS A 56 4.753 -4.080 -0.542 1.00 52.13 H new ATOM 0 HE2 LYS A 56 5.920 -5.710 -1.914 1.00 15.51 H new ATOM 0 HE3 LYS A 56 4.793 -6.556 -0.874 1.00 15.51 H new ATOM 0 HZ1 LYS A 56 4.882 -7.190 -3.332 1.00 51.43 H new ATOM 0 HZ2 LYS A 56 3.350 -6.979 -2.630 1.00 51.43 H new ATOM 0 HZ3 LYS A 56 4.007 -5.762 -3.615 1.00 51.43 H new ATOM 892 N ASP A 57 2.430 -5.131 3.843 1.00 11.44 N ATOM 893 CA ASP A 57 1.759 -5.651 5.029 1.00 2.13 C ATOM 894 C ASP A 57 1.452 -4.529 6.016 1.00 2.12 C ATOM 895 O ASP A 57 0.482 -4.601 6.770 1.00 14.05 O ATOM 896 CB ASP A 57 2.624 -6.718 5.703 1.00 15.44 C ATOM 897 CG ASP A 57 2.317 -8.114 5.200 1.00 60.32 C ATOM 898 OD1 ASP A 57 1.121 -8.441 5.050 1.00 24.42 O ATOM 899 OD2 ASP A 57 3.273 -8.881 4.956 1.00 12.41 O ATOM 0 H ASP A 57 3.436 -5.000 3.951 1.00 11.44 H new ATOM 0 HA ASP A 57 0.817 -6.102 4.716 1.00 2.13 H new ATOM 0 HB2 ASP A 57 3.676 -6.494 5.526 1.00 15.44 H new ATOM 0 HB3 ASP A 57 2.468 -6.681 6.781 1.00 15.44 H new ATOM 904 N ILE A 58 2.286 -3.494 6.006 1.00 72.21 N ATOM 905 CA ILE A 58 2.103 -2.358 6.900 1.00 40.41 C ATOM 906 C ILE A 58 1.355 -1.225 6.204 1.00 62.50 C ATOM 907 O ILE A 58 1.640 -0.894 5.053 1.00 5.21 O ATOM 908 CB ILE A 58 3.453 -1.825 7.417 1.00 74.04 C ATOM 909 CG1 ILE A 58 4.376 -1.490 6.244 1.00 40.44 C ATOM 910 CG2 ILE A 58 4.106 -2.844 8.338 1.00 44.11 C ATOM 911 CD1 ILE A 58 5.681 -0.852 6.665 1.00 24.14 C ATOM 0 H ILE A 58 3.095 -3.419 5.389 1.00 72.21 H new ATOM 0 HA ILE A 58 1.514 -2.714 7.745 1.00 40.41 H new ATOM 0 HB ILE A 58 3.274 -0.913 7.986 1.00 74.04 H new ATOM 0 HG12 ILE A 58 4.590 -2.403 5.688 1.00 40.44 H new ATOM 0 HG13 ILE A 58 3.855 -0.817 5.563 1.00 40.44 H new ATOM 0 HG21 ILE A 58 5.059 -2.453 8.695 1.00 44.11 H new ATOM 0 HG22 ILE A 58 3.452 -3.038 9.188 1.00 44.11 H new ATOM 0 HG23 ILE A 58 4.276 -3.772 7.792 1.00 44.11 H new ATOM 0 HD11 ILE A 58 6.285 -0.642 5.782 1.00 24.14 H new ATOM 0 HD12 ILE A 58 5.477 0.078 7.195 1.00 24.14 H new ATOM 0 HD13 ILE A 58 6.223 -1.532 7.322 1.00 24.14 H new ATOM 923 N PHE A 59 0.398 -0.634 6.911 1.00 75.25 N ATOM 924 CA PHE A 59 -0.391 0.462 6.361 1.00 15.33 C ATOM 925 C PHE A 59 -0.195 1.736 7.178 1.00 43.21 C ATOM 926 O PHE A 59 0.248 1.706 8.326 1.00 22.52 O ATOM 927 CB PHE A 59 -1.874 0.086 6.331 1.00 54.50 C ATOM 928 CG PHE A 59 -2.326 -0.464 5.008 1.00 14.25 C ATOM 929 CD1 PHE A 59 -1.916 -1.719 4.589 1.00 74.10 C ATOM 930 CD2 PHE A 59 -3.162 0.274 4.185 1.00 25.02 C ATOM 931 CE1 PHE A 59 -2.330 -2.227 3.372 1.00 33.32 C ATOM 932 CE2 PHE A 59 -3.579 -0.229 2.967 1.00 31.34 C ATOM 933 CZ PHE A 59 -3.164 -1.482 2.561 1.00 64.10 C ATOM 0 H PHE A 59 0.150 -0.895 7.865 1.00 75.25 H new ATOM 0 HA PHE A 59 -0.049 0.647 5.343 1.00 15.33 H new ATOM 0 HB2 PHE A 59 -2.069 -0.653 7.108 1.00 54.50 H new ATOM 0 HB3 PHE A 59 -2.469 0.967 6.572 1.00 54.50 H new ATOM 0 HD1 PHE A 59 -1.266 -2.307 5.220 1.00 74.10 H new ATOM 0 HD2 PHE A 59 -3.491 1.253 4.499 1.00 25.02 H new ATOM 0 HE1 PHE A 59 -2.002 -3.206 3.055 1.00 33.32 H new ATOM 0 HE2 PHE A 59 -4.228 0.357 2.334 1.00 31.34 H new ATOM 0 HZ PHE A 59 -3.491 -1.879 1.611 1.00 64.10 H new ATOM 943 N PRO A 60 -0.531 2.885 6.572 1.00 31.40 N ATOM 944 CA PRO A 60 -0.400 4.191 7.224 1.00 54.34 C ATOM 945 C PRO A 60 -1.407 4.379 8.354 1.00 61.33 C ATOM 946 O PRO A 60 -2.610 4.204 8.161 1.00 14.54 O ATOM 947 CB PRO A 60 -0.678 5.182 6.090 1.00 12.14 C ATOM 948 CG PRO A 60 -1.524 4.426 5.125 1.00 62.12 C ATOM 949 CD PRO A 60 -1.065 2.996 5.204 1.00 35.04 C ATOM 0 HA PRO A 60 0.577 4.318 7.690 1.00 54.34 H new ATOM 0 HB2 PRO A 60 -1.193 6.070 6.457 1.00 12.14 H new ATOM 0 HB3 PRO A 60 0.248 5.521 5.624 1.00 12.14 H new ATOM 0 HG2 PRO A 60 -2.580 4.512 5.381 1.00 62.12 H new ATOM 0 HG3 PRO A 60 -1.408 4.818 4.114 1.00 62.12 H new ATOM 0 HD2 PRO A 60 -1.887 2.300 5.036 1.00 35.04 H new ATOM 0 HD3 PRO A 60 -0.303 2.776 4.456 1.00 35.04 H new ATOM 957 N TYR A 61 -0.907 4.735 9.532 1.00 61.13 N ATOM 958 CA TYR A 61 -1.763 4.944 10.693 1.00 3.15 C ATOM 959 C TYR A 61 -2.700 6.128 10.474 1.00 63.12 C ATOM 960 O TYR A 61 -3.673 6.308 11.206 1.00 71.35 O ATOM 961 CB TYR A 61 -0.913 5.177 11.944 1.00 41.22 C ATOM 962 CG TYR A 61 -0.670 6.638 12.247 1.00 43.52 C ATOM 963 CD1 TYR A 61 0.153 7.409 11.435 1.00 53.34 C ATOM 964 CD2 TYR A 61 -1.263 7.248 13.345 1.00 13.41 C ATOM 965 CE1 TYR A 61 0.378 8.744 11.708 1.00 3.43 C ATOM 966 CE2 TYR A 61 -1.045 8.583 13.626 1.00 44.44 C ATOM 967 CZ TYR A 61 -0.223 9.327 12.805 1.00 63.14 C ATOM 968 OH TYR A 61 -0.002 10.657 13.080 1.00 63.12 O ATOM 0 H TYR A 61 0.087 4.885 9.708 1.00 61.13 H new ATOM 0 HA TYR A 61 -2.367 4.047 10.833 1.00 3.15 H new ATOM 0 HB2 TYR A 61 -1.406 4.714 12.799 1.00 41.22 H new ATOM 0 HB3 TYR A 61 0.047 4.676 11.819 1.00 41.22 H new ATOM 0 HD1 TYR A 61 0.625 6.956 10.575 1.00 53.34 H new ATOM 0 HD2 TYR A 61 -1.906 6.668 13.991 1.00 13.41 H new ATOM 0 HE1 TYR A 61 1.021 9.329 11.066 1.00 3.43 H new ATOM 0 HE2 TYR A 61 -1.515 9.041 14.483 1.00 44.44 H new ATOM 0 HH TYR A 61 0.353 10.749 13.989 1.00 63.12 H new ATOM 978 N SER A 62 -2.398 6.932 9.460 1.00 53.54 N ATOM 979 CA SER A 62 -3.211 8.102 9.144 1.00 63.53 C ATOM 980 C SER A 62 -4.616 7.688 8.719 1.00 34.50 C ATOM 981 O SER A 62 -5.544 8.495 8.738 1.00 55.22 O ATOM 982 CB SER A 62 -2.551 8.922 8.034 1.00 53.32 C ATOM 983 OG SER A 62 -2.989 10.270 8.067 1.00 20.31 O ATOM 0 H SER A 62 -1.597 6.796 8.843 1.00 53.54 H new ATOM 0 HA SER A 62 -3.288 8.715 10.042 1.00 63.53 H new ATOM 0 HB2 SER A 62 -1.467 8.885 8.146 1.00 53.32 H new ATOM 0 HB3 SER A 62 -2.786 8.483 7.064 1.00 53.32 H new ATOM 0 HG SER A 62 -2.552 10.774 7.349 1.00 20.31 H new ATOM 989 N GLU A 63 -4.764 6.423 8.336 1.00 21.04 N ATOM 990 CA GLU A 63 -6.056 5.902 7.906 1.00 21.41 C ATOM 991 C GLU A 63 -6.813 5.286 9.080 1.00 43.52 C ATOM 992 O GLU A 63 -8.032 5.412 9.179 1.00 34.25 O ATOM 993 CB GLU A 63 -5.868 4.858 6.803 1.00 21.10 C ATOM 994 CG GLU A 63 -7.029 4.790 5.825 1.00 2.01 C ATOM 995 CD GLU A 63 -7.163 3.428 5.173 1.00 70.24 C ATOM 996 OE1 GLU A 63 -7.526 2.465 5.880 1.00 32.03 O ATOM 997 OE2 GLU A 63 -6.905 3.324 3.955 1.00 1.33 O ATOM 0 H GLU A 63 -4.006 5.741 8.315 1.00 21.04 H new ATOM 0 HA GLU A 63 -6.642 6.733 7.514 1.00 21.41 H new ATOM 0 HB2 GLU A 63 -4.954 5.083 6.254 1.00 21.10 H new ATOM 0 HB3 GLU A 63 -5.732 3.878 7.261 1.00 21.10 H new ATOM 0 HG2 GLU A 63 -7.954 5.031 6.348 1.00 2.01 H new ATOM 0 HG3 GLU A 63 -6.893 5.547 5.052 1.00 2.01 H new ATOM 1004 N ASN A 64 -6.079 4.621 9.966 1.00 61.22 N ATOM 1005 CA ASN A 64 -6.680 3.985 11.132 1.00 30.33 C ATOM 1006 C ASN A 64 -6.992 5.015 12.214 1.00 44.04 C ATOM 1007 O ASN A 64 -8.033 4.951 12.867 1.00 73.33 O ATOM 1008 CB ASN A 64 -5.746 2.909 11.691 1.00 41.32 C ATOM 1009 CG ASN A 64 -5.508 1.782 10.705 1.00 23.21 C ATOM 1010 OD1 ASN A 64 -6.269 0.816 10.654 1.00 72.10 O ATOM 1011 ND2 ASN A 64 -4.446 1.900 9.916 1.00 0.24 N ATOM 0 H ASN A 64 -5.067 4.509 9.899 1.00 61.22 H new ATOM 0 HA ASN A 64 -7.614 3.519 10.819 1.00 30.33 H new ATOM 0 HB2 ASN A 64 -4.791 3.363 11.957 1.00 41.32 H new ATOM 0 HB3 ASN A 64 -6.172 2.502 12.608 1.00 41.32 H new ATOM 0 HD21 ASN A 64 -4.234 1.172 9.233 1.00 0.24 H new ATOM 0 HD22 ASN A 64 -3.842 2.718 9.993 1.00 0.24 H new ATOM 1018 N LYS A 65 -6.082 5.966 12.397 1.00 24.41 N ATOM 1019 CA LYS A 65 -6.258 7.012 13.397 1.00 32.22 C ATOM 1020 C LYS A 65 -7.565 7.766 13.171 1.00 62.31 C ATOM 1021 O LYS A 65 -8.151 8.305 14.109 1.00 25.01 O ATOM 1022 CB LYS A 65 -5.080 7.988 13.358 1.00 73.05 C ATOM 1023 CG LYS A 65 -5.133 8.957 12.189 1.00 1.44 C ATOM 1024 CD LYS A 65 -3.965 9.930 12.219 1.00 74.44 C ATOM 1025 CE LYS A 65 -3.973 10.772 13.485 1.00 22.43 C ATOM 1026 NZ LYS A 65 -2.969 11.870 13.427 1.00 25.42 N ATOM 0 H LYS A 65 -5.214 6.034 11.865 1.00 24.41 H new ATOM 0 HA LYS A 65 -6.297 6.539 14.378 1.00 32.22 H new ATOM 0 HB2 LYS A 65 -5.057 8.555 14.289 1.00 73.05 H new ATOM 0 HB3 LYS A 65 -4.150 7.421 13.308 1.00 73.05 H new ATOM 0 HG2 LYS A 65 -5.120 8.400 11.252 1.00 1.44 H new ATOM 0 HG3 LYS A 65 -6.071 9.512 12.217 1.00 1.44 H new ATOM 0 HD2 LYS A 65 -3.028 9.377 12.155 1.00 74.44 H new ATOM 0 HD3 LYS A 65 -4.011 10.582 11.347 1.00 74.44 H new ATOM 0 HE2 LYS A 65 -4.966 11.196 13.633 1.00 22.43 H new ATOM 0 HE3 LYS A 65 -3.766 10.136 14.346 1.00 22.43 H new ATOM 0 HZ1 LYS A 65 -3.017 12.431 14.301 1.00 25.42 H new ATOM 0 HZ2 LYS A 65 -2.016 11.465 13.328 1.00 25.42 H new ATOM 0 HZ3 LYS A 65 -3.171 12.482 12.611 1.00 25.42 H new ATOM 1040 N GLU A 66 -8.016 7.797 11.921 1.00 42.42 N ATOM 1041 CA GLU A 66 -9.254 8.485 11.573 1.00 22.02 C ATOM 1042 C GLU A 66 -10.462 7.583 11.810 1.00 41.22 C ATOM 1043 O GLU A 66 -11.594 8.056 11.913 1.00 41.31 O ATOM 1044 CB GLU A 66 -9.219 8.937 10.112 1.00 73.12 C ATOM 1045 CG GLU A 66 -10.326 9.913 9.750 1.00 32.02 C ATOM 1046 CD GLU A 66 -9.898 11.360 9.895 1.00 11.44 C ATOM 1047 OE1 GLU A 66 -8.725 11.664 9.595 1.00 45.31 O ATOM 1048 OE2 GLU A 66 -10.736 12.189 10.310 1.00 64.35 O ATOM 0 H GLU A 66 -7.543 7.354 11.133 1.00 42.42 H new ATOM 0 HA GLU A 66 -9.346 9.362 12.214 1.00 22.02 H new ATOM 0 HB2 GLU A 66 -8.255 9.402 9.907 1.00 73.12 H new ATOM 0 HB3 GLU A 66 -9.293 8.061 9.468 1.00 73.12 H new ATOM 0 HG2 GLU A 66 -10.643 9.733 8.723 1.00 32.02 H new ATOM 0 HG3 GLU A 66 -11.191 9.728 10.387 1.00 32.02 H new ATOM 1055 N LYS A 67 -10.213 6.281 11.894 1.00 21.23 N ATOM 1056 CA LYS A 67 -11.278 5.311 12.119 1.00 30.23 C ATOM 1057 C LYS A 67 -11.751 5.348 13.569 1.00 42.30 C ATOM 1058 O LYS A 67 -12.916 5.634 13.845 1.00 73.03 O ATOM 1059 CB LYS A 67 -10.796 3.902 11.765 1.00 11.11 C ATOM 1060 CG LYS A 67 -10.577 3.690 10.277 1.00 11.31 C ATOM 1061 CD LYS A 67 -11.852 3.241 9.584 1.00 34.32 C ATOM 1062 CE LYS A 67 -12.031 1.733 9.669 1.00 64.54 C ATOM 1063 NZ LYS A 67 -11.117 1.013 8.739 1.00 43.12 N ATOM 0 H LYS A 67 -9.282 5.873 11.810 1.00 21.23 H new ATOM 0 HA LYS A 67 -12.117 5.574 11.475 1.00 30.23 H new ATOM 0 HB2 LYS A 67 -9.863 3.703 12.293 1.00 11.11 H new ATOM 0 HB3 LYS A 67 -11.526 3.177 12.123 1.00 11.11 H new ATOM 0 HG2 LYS A 67 -10.223 4.616 9.825 1.00 11.31 H new ATOM 0 HG3 LYS A 67 -9.797 2.943 10.126 1.00 11.31 H new ATOM 0 HD2 LYS A 67 -12.709 3.736 10.040 1.00 34.32 H new ATOM 0 HD3 LYS A 67 -11.826 3.547 8.538 1.00 34.32 H new ATOM 0 HE2 LYS A 67 -11.844 1.402 10.691 1.00 64.54 H new ATOM 0 HE3 LYS A 67 -13.064 1.476 9.435 1.00 64.54 H new ATOM 0 HZ1 LYS A 67 -11.403 0.015 8.674 1.00 43.12 H new ATOM 0 HZ2 LYS A 67 -11.166 1.450 7.796 1.00 43.12 H new ATOM 0 HZ3 LYS A 67 -10.142 1.071 9.097 1.00 43.12 H new ATOM 1077 N TYR A 68 -10.839 5.060 14.491 1.00 34.42 N ATOM 1078 CA TYR A 68 -11.164 5.060 15.913 1.00 61.43 C ATOM 1079 C TYR A 68 -10.134 5.858 16.707 1.00 74.04 C ATOM 1080 O TYR A 68 -10.422 6.354 17.795 1.00 25.01 O ATOM 1081 CB TYR A 68 -11.232 3.626 16.442 1.00 72.14 C ATOM 1082 CG TYR A 68 -11.344 2.583 15.352 1.00 15.33 C ATOM 1083 CD1 TYR A 68 -12.585 2.185 14.869 1.00 1.43 C ATOM 1084 CD2 TYR A 68 -10.210 1.997 14.805 1.00 23.14 C ATOM 1085 CE1 TYR A 68 -12.692 1.233 13.875 1.00 60.42 C ATOM 1086 CE2 TYR A 68 -10.307 1.044 13.809 1.00 12.55 C ATOM 1087 CZ TYR A 68 -11.550 0.665 13.348 1.00 55.30 C ATOM 1088 OH TYR A 68 -11.653 -0.283 12.356 1.00 21.11 O ATOM 0 H TYR A 68 -9.870 4.824 14.280 1.00 34.42 H new ATOM 0 HA TYR A 68 -12.138 5.533 16.037 1.00 61.43 H new ATOM 0 HB2 TYR A 68 -10.341 3.424 17.036 1.00 72.14 H new ATOM 0 HB3 TYR A 68 -12.088 3.534 17.110 1.00 72.14 H new ATOM 0 HD1 TYR A 68 -13.481 2.628 15.278 1.00 1.43 H new ATOM 0 HD2 TYR A 68 -9.235 2.291 15.164 1.00 23.14 H new ATOM 0 HE1 TYR A 68 -13.664 0.934 13.512 1.00 60.42 H new ATOM 0 HE2 TYR A 68 -9.415 0.599 13.394 1.00 12.55 H new ATOM 0 HH TYR A 68 -10.757 -0.581 12.094 1.00 21.11 H new ATOM 1098 N GLY A 69 -8.932 5.978 16.152 1.00 50.04 N ATOM 1099 CA GLY A 69 -7.877 6.717 16.820 1.00 50.22 C ATOM 1100 C GLY A 69 -7.268 5.944 17.972 1.00 24.23 C ATOM 1101 O GLY A 69 -6.182 6.277 18.449 1.00 72.34 O ATOM 0 H GLY A 69 -8.670 5.577 15.252 1.00 50.04 H new ATOM 0 HA2 GLY A 69 -7.097 6.963 16.099 1.00 50.22 H new ATOM 0 HA3 GLY A 69 -8.277 7.661 17.191 1.00 50.22 H new ATOM 1105 N LYS A 70 -7.968 4.909 18.424 1.00 63.31 N ATOM 1106 CA LYS A 70 -7.490 4.085 19.528 1.00 14.14 C ATOM 1107 C LYS A 70 -8.010 2.656 19.406 1.00 51.24 C ATOM 1108 O LYS A 70 -9.036 2.395 18.776 1.00 24.04 O ATOM 1109 CB LYS A 70 -7.929 4.685 20.866 1.00 51.40 C ATOM 1110 CG LYS A 70 -9.394 5.083 20.903 1.00 54.43 C ATOM 1111 CD LYS A 70 -9.820 5.516 22.296 1.00 70.03 C ATOM 1112 CE LYS A 70 -11.333 5.484 22.452 1.00 63.54 C ATOM 1113 NZ LYS A 70 -11.873 4.101 22.333 1.00 21.12 N ATOM 0 H LYS A 70 -8.869 4.621 18.042 1.00 63.31 H new ATOM 0 HA LYS A 70 -6.401 4.062 19.486 1.00 14.14 H new ATOM 0 HB2 LYS A 70 -7.738 3.962 21.659 1.00 51.40 H new ATOM 0 HB3 LYS A 70 -7.318 5.562 21.079 1.00 51.40 H new ATOM 0 HG2 LYS A 70 -9.569 5.897 20.199 1.00 54.43 H new ATOM 0 HG3 LYS A 70 -10.008 4.243 20.578 1.00 54.43 H new ATOM 0 HD2 LYS A 70 -9.363 4.861 23.037 1.00 70.03 H new ATOM 0 HD3 LYS A 70 -9.454 6.524 22.493 1.00 70.03 H new ATOM 0 HE2 LYS A 70 -11.607 5.899 23.422 1.00 63.54 H new ATOM 0 HE3 LYS A 70 -11.790 6.119 21.693 1.00 63.54 H new ATOM 0 HZ1 LYS A 70 -12.802 4.050 22.797 1.00 21.12 H new ATOM 0 HZ2 LYS A 70 -11.974 3.853 21.328 1.00 21.12 H new ATOM 0 HZ3 LYS A 70 -11.220 3.433 22.791 1.00 21.12 H new ATOM 1127 N PRO A 71 -7.288 1.708 20.021 1.00 12.14 N ATOM 1128 CA PRO A 71 -7.659 0.290 19.997 1.00 41.12 C ATOM 1129 C PRO A 71 -8.913 0.005 20.815 1.00 34.43 C ATOM 1130 O PRO A 71 -9.206 0.704 21.784 1.00 54.22 O ATOM 1131 CB PRO A 71 -6.445 -0.405 20.619 1.00 50.31 C ATOM 1132 CG PRO A 71 -5.815 0.634 21.481 1.00 44.01 C ATOM 1133 CD PRO A 71 -6.055 1.948 20.789 1.00 21.45 C ATOM 0 HA PRO A 71 -7.894 -0.053 18.989 1.00 41.12 H new ATOM 0 HB2 PRO A 71 -6.743 -1.276 21.202 1.00 50.31 H new ATOM 0 HB3 PRO A 71 -5.754 -0.756 19.853 1.00 50.31 H new ATOM 0 HG2 PRO A 71 -6.254 0.632 22.478 1.00 44.01 H new ATOM 0 HG3 PRO A 71 -4.748 0.446 21.602 1.00 44.01 H new ATOM 0 HD2 PRO A 71 -6.178 2.762 21.503 1.00 21.45 H new ATOM 0 HD3 PRO A 71 -5.223 2.218 20.139 1.00 21.45 H new ATOM 1141 N ASN A 72 -9.650 -1.028 20.419 1.00 35.13 N ATOM 1142 CA ASN A 72 -10.874 -1.406 21.117 1.00 52.11 C ATOM 1143 C ASN A 72 -10.612 -2.546 22.096 1.00 13.14 C ATOM 1144 O ASN A 72 -10.815 -2.402 23.302 1.00 25.43 O ATOM 1145 CB ASN A 72 -11.952 -1.819 20.112 1.00 22.14 C ATOM 1146 CG ASN A 72 -13.157 -2.449 20.784 1.00 61.13 C ATOM 1147 OD1 ASN A 72 -13.375 -3.657 20.686 1.00 1.23 O ATOM 1148 ND2 ASN A 72 -13.947 -1.631 21.470 1.00 62.14 N ATOM 0 H ASN A 72 -9.421 -1.618 19.619 1.00 35.13 H new ATOM 0 HA ASN A 72 -11.224 -0.541 21.680 1.00 52.11 H new ATOM 0 HB2 ASN A 72 -12.271 -0.944 19.545 1.00 22.14 H new ATOM 0 HB3 ASN A 72 -11.528 -2.524 19.397 1.00 22.14 H new ATOM 0 HD21 ASN A 72 -14.773 -1.997 21.943 1.00 62.14 H new ATOM 0 HD22 ASN A 72 -13.727 -0.636 21.524 1.00 62.14 H new ATOM 1155 N LYS A 73 -10.160 -3.679 21.570 1.00 53.14 N ATOM 1156 CA LYS A 73 -9.868 -4.844 22.396 1.00 70.32 C ATOM 1157 C LYS A 73 -8.420 -5.288 22.218 1.00 63.25 C ATOM 1158 O LYS A 73 -8.069 -6.429 22.520 1.00 43.15 O ATOM 1159 CB LYS A 73 -10.813 -5.995 22.043 1.00 64.44 C ATOM 1160 CG LYS A 73 -11.025 -6.172 20.549 1.00 43.40 C ATOM 1161 CD LYS A 73 -9.819 -6.817 19.887 1.00 72.51 C ATOM 1162 CE LYS A 73 -9.093 -5.840 18.976 1.00 53.34 C ATOM 1163 NZ LYS A 73 -9.876 -5.543 17.744 1.00 33.31 N ATOM 0 H LYS A 73 -9.988 -3.815 20.574 1.00 53.14 H new ATOM 0 HA LYS A 73 -10.018 -4.566 23.439 1.00 70.32 H new ATOM 0 HB2 LYS A 73 -10.414 -6.921 22.457 1.00 64.44 H new ATOM 0 HB3 LYS A 73 -11.777 -5.821 22.520 1.00 64.44 H new ATOM 0 HG2 LYS A 73 -11.908 -6.787 20.376 1.00 43.40 H new ATOM 0 HG3 LYS A 73 -11.217 -5.202 20.090 1.00 43.40 H new ATOM 0 HD2 LYS A 73 -9.133 -7.180 20.653 1.00 72.51 H new ATOM 0 HD3 LYS A 73 -10.140 -7.684 19.310 1.00 72.51 H new ATOM 0 HE2 LYS A 73 -8.901 -4.913 19.517 1.00 53.34 H new ATOM 0 HE3 LYS A 73 -8.123 -6.254 18.699 1.00 53.34 H new ATOM 0 HZ1 LYS A 73 -9.821 -4.526 17.535 1.00 33.31 H new ATOM 0 HZ2 LYS A 73 -9.485 -6.083 16.946 1.00 33.31 H new ATOM 0 HZ3 LYS A 73 -10.870 -5.813 17.891 1.00 33.31 H new ATOM 1177 N ARG A 74 -7.583 -4.380 21.727 1.00 51.43 N ATOM 1178 CA ARG A 74 -6.173 -4.678 21.509 1.00 62.21 C ATOM 1179 C ARG A 74 -5.403 -4.655 22.826 1.00 65.11 C ATOM 1180 O ARG A 74 -5.397 -3.650 23.537 1.00 44.01 O ATOM 1181 CB ARG A 74 -5.562 -3.673 20.531 1.00 60.13 C ATOM 1182 CG ARG A 74 -6.403 -3.448 19.285 1.00 44.14 C ATOM 1183 CD ARG A 74 -6.011 -4.403 18.168 1.00 3.01 C ATOM 1184 NE ARG A 74 -7.025 -4.465 17.119 1.00 0.52 N ATOM 1185 CZ ARG A 74 -7.274 -3.467 16.278 1.00 64.01 C ATOM 1186 NH1 ARG A 74 -6.585 -2.337 16.362 1.00 62.31 N ATOM 1187 NH2 ARG A 74 -8.213 -3.599 15.350 1.00 43.23 N ATOM 0 H ARG A 74 -7.857 -3.431 21.473 1.00 51.43 H new ATOM 0 HA ARG A 74 -6.101 -5.679 21.083 1.00 62.21 H new ATOM 0 HB2 ARG A 74 -5.422 -2.720 21.042 1.00 60.13 H new ATOM 0 HB3 ARG A 74 -4.573 -4.023 20.234 1.00 60.13 H new ATOM 0 HG2 ARG A 74 -7.457 -3.583 19.527 1.00 44.14 H new ATOM 0 HG3 ARG A 74 -6.283 -2.419 18.945 1.00 44.14 H new ATOM 0 HD2 ARG A 74 -5.062 -4.085 17.736 1.00 3.01 H new ATOM 0 HD3 ARG A 74 -5.856 -5.400 18.581 1.00 3.01 H new ATOM 0 HE ARG A 74 -7.572 -5.321 17.027 1.00 0.52 H new ATOM 0 HH11 ARG A 74 -5.862 -2.232 17.074 1.00 62.31 H new ATOM 0 HH12 ARG A 74 -6.778 -1.573 15.715 1.00 62.31 H new ATOM 0 HH21 ARG A 74 -8.744 -4.467 15.282 1.00 43.23 H new ATOM 0 HH22 ARG A 74 -8.404 -2.832 14.705 1.00 43.23 H new ATOM 1201 N LYS A 75 -4.754 -5.770 23.145 1.00 4.34 N ATOM 1202 CA LYS A 75 -3.979 -5.879 24.376 1.00 51.31 C ATOM 1203 C LYS A 75 -2.847 -4.857 24.398 1.00 24.12 C ATOM 1204 O LYS A 75 -2.059 -4.768 23.457 1.00 33.12 O ATOM 1205 CB LYS A 75 -3.409 -7.291 24.520 1.00 23.52 C ATOM 1206 CG LYS A 75 -4.467 -8.353 24.764 1.00 55.13 C ATOM 1207 CD LYS A 75 -4.739 -8.539 26.247 1.00 74.40 C ATOM 1208 CE LYS A 75 -3.742 -9.497 26.880 1.00 32.53 C ATOM 1209 NZ LYS A 75 -4.312 -10.183 28.073 1.00 11.33 N ATOM 0 H LYS A 75 -4.749 -6.611 22.568 1.00 4.34 H new ATOM 0 HA LYS A 75 -4.645 -5.675 25.215 1.00 51.31 H new ATOM 0 HB2 LYS A 75 -2.855 -7.544 23.616 1.00 23.52 H new ATOM 0 HB3 LYS A 75 -2.697 -7.304 25.345 1.00 23.52 H new ATOM 0 HG2 LYS A 75 -5.390 -8.072 24.256 1.00 55.13 H new ATOM 0 HG3 LYS A 75 -4.141 -9.299 24.332 1.00 55.13 H new ATOM 0 HD2 LYS A 75 -4.688 -7.574 26.751 1.00 74.40 H new ATOM 0 HD3 LYS A 75 -5.751 -8.920 26.388 1.00 74.40 H new ATOM 0 HE2 LYS A 75 -3.436 -10.241 26.145 1.00 32.53 H new ATOM 0 HE3 LYS A 75 -2.846 -8.949 27.170 1.00 32.53 H new ATOM 0 HZ1 LYS A 75 -3.602 -10.827 28.476 1.00 11.33 H new ATOM 0 HZ2 LYS A 75 -4.580 -9.475 28.786 1.00 11.33 H new ATOM 0 HZ3 LYS A 75 -5.153 -10.727 27.792 1.00 11.33 H new ATOM 1223 N GLY A 76 -2.770 -4.088 25.481 1.00 71.45 N ATOM 1224 CA GLY A 76 -1.730 -3.084 25.605 1.00 23.53 C ATOM 1225 C GLY A 76 -2.223 -1.693 25.264 1.00 51.53 C ATOM 1226 O GLY A 76 -1.427 -0.773 25.074 1.00 41.12 O ATOM 0 H GLY A 76 -3.409 -4.143 26.274 1.00 71.45 H new ATOM 0 HA2 GLY A 76 -1.344 -3.089 26.624 1.00 23.53 H new ATOM 0 HA3 GLY A 76 -0.899 -3.343 24.948 1.00 23.53 H new ATOM 1230 N PHE A 77 -3.540 -1.537 25.183 1.00 14.44 N ATOM 1231 CA PHE A 77 -4.139 -0.247 24.859 1.00 33.13 C ATOM 1232 C PHE A 77 -3.801 0.793 25.924 1.00 63.44 C ATOM 1233 O PHE A 77 -3.505 0.451 27.068 1.00 43.32 O ATOM 1234 CB PHE A 77 -5.658 -0.384 24.729 1.00 24.31 C ATOM 1235 CG PHE A 77 -6.333 -0.805 26.003 1.00 10.51 C ATOM 1236 CD1 PHE A 77 -6.492 -2.147 26.309 1.00 44.43 C ATOM 1237 CD2 PHE A 77 -6.810 0.143 26.895 1.00 62.30 C ATOM 1238 CE1 PHE A 77 -7.112 -2.537 27.480 1.00 14.24 C ATOM 1239 CE2 PHE A 77 -7.431 -0.241 28.068 1.00 21.53 C ATOM 1240 CZ PHE A 77 -7.584 -1.583 28.361 1.00 45.31 C ATOM 0 H PHE A 77 -4.213 -2.288 25.337 1.00 14.44 H new ATOM 0 HA PHE A 77 -3.728 0.087 23.906 1.00 33.13 H new ATOM 0 HB2 PHE A 77 -6.074 0.570 24.405 1.00 24.31 H new ATOM 0 HB3 PHE A 77 -5.884 -1.112 23.950 1.00 24.31 H new ATOM 0 HD1 PHE A 77 -6.127 -2.897 25.623 1.00 44.43 H new ATOM 0 HD2 PHE A 77 -6.695 1.193 26.671 1.00 62.30 H new ATOM 0 HE1 PHE A 77 -7.228 -3.587 27.707 1.00 14.24 H new ATOM 0 HE2 PHE A 77 -7.797 0.507 28.756 1.00 21.53 H new ATOM 0 HZ PHE A 77 -8.071 -1.885 29.276 1.00 45.31 H new ATOM 1250 N ASN A 78 -3.846 2.063 25.537 1.00 53.34 N ATOM 1251 CA ASN A 78 -3.543 3.154 26.456 1.00 35.24 C ATOM 1252 C ASN A 78 -2.140 3.004 27.035 1.00 63.52 C ATOM 1253 O ASN A 78 -1.848 3.505 28.120 1.00 54.42 O ATOM 1254 CB ASN A 78 -4.572 3.194 27.588 1.00 0.44 C ATOM 1255 CG ASN A 78 -5.688 4.185 27.320 1.00 11.42 C ATOM 1256 OD1 ASN A 78 -6.865 3.824 27.309 1.00 21.13 O ATOM 1257 ND2 ASN A 78 -5.322 5.443 27.102 1.00 55.21 N ATOM 0 H ASN A 78 -4.089 2.362 24.593 1.00 53.34 H new ATOM 0 HA ASN A 78 -3.588 4.089 25.898 1.00 35.24 H new ATOM 0 HB2 ASN A 78 -4.998 2.200 27.724 1.00 0.44 H new ATOM 0 HB3 ASN A 78 -4.072 3.457 28.520 1.00 0.44 H new ATOM 0 HD21 ASN A 78 -6.029 6.155 26.916 1.00 55.21 H new ATOM 0 HD22 ASN A 78 -4.334 5.697 27.121 1.00 55.21 H new ATOM 1264 N GLU A 79 -1.275 2.310 26.302 1.00 64.42 N ATOM 1265 CA GLU A 79 0.098 2.093 26.743 1.00 44.53 C ATOM 1266 C GLU A 79 1.090 2.554 25.679 1.00 45.34 C ATOM 1267 O GLU A 79 1.952 1.790 25.245 1.00 10.52 O ATOM 1268 CB GLU A 79 0.328 0.615 27.063 1.00 11.14 C ATOM 1269 CG GLU A 79 -0.762 0.004 27.928 1.00 24.32 C ATOM 1270 CD GLU A 79 -0.220 -0.598 29.211 1.00 41.54 C ATOM 1271 OE1 GLU A 79 0.268 0.170 30.066 1.00 23.33 O ATOM 1272 OE2 GLU A 79 -0.285 -1.836 29.358 1.00 23.01 O ATOM 0 H GLU A 79 -1.500 1.889 25.401 1.00 64.42 H new ATOM 0 HA GLU A 79 0.259 2.682 27.646 1.00 44.53 H new ATOM 0 HB2 GLU A 79 0.396 0.056 26.130 1.00 11.14 H new ATOM 0 HB3 GLU A 79 1.287 0.506 27.570 1.00 11.14 H new ATOM 0 HG2 GLU A 79 -1.498 0.770 28.173 1.00 24.32 H new ATOM 0 HG3 GLU A 79 -1.282 -0.768 27.360 1.00 24.32 H new ATOM 1279 N GLY A 80 0.961 3.810 25.262 1.00 44.34 N ATOM 1280 CA GLY A 80 1.852 4.352 24.252 1.00 73.24 C ATOM 1281 C GLY A 80 1.124 4.718 22.973 1.00 12.35 C ATOM 1282 O GLY A 80 1.748 4.923 21.931 1.00 31.43 O ATOM 0 H GLY A 80 0.256 4.462 25.605 1.00 44.34 H new ATOM 0 HA2 GLY A 80 2.351 5.236 24.649 1.00 73.24 H new ATOM 0 HA3 GLY A 80 2.629 3.622 24.028 1.00 73.24 H new ATOM 1286 N LEU A 81 -0.200 4.801 23.051 1.00 22.42 N ATOM 1287 CA LEU A 81 -1.014 5.143 21.891 1.00 55.53 C ATOM 1288 C LEU A 81 -0.917 6.633 21.578 1.00 50.21 C ATOM 1289 O LEU A 81 -0.770 7.026 20.421 1.00 41.04 O ATOM 1290 CB LEU A 81 -2.474 4.757 22.135 1.00 31.53 C ATOM 1291 CG LEU A 81 -3.490 5.300 21.130 1.00 31.00 C ATOM 1292 CD1 LEU A 81 -3.597 4.376 19.927 1.00 74.10 C ATOM 1293 CD2 LEU A 81 -4.849 5.480 21.790 1.00 75.41 C ATOM 0 H LEU A 81 -0.732 4.636 23.906 1.00 22.42 H new ATOM 0 HA LEU A 81 -0.635 4.584 21.035 1.00 55.53 H new ATOM 0 HB2 LEU A 81 -2.545 3.669 22.141 1.00 31.53 H new ATOM 0 HB3 LEU A 81 -2.758 5.100 23.130 1.00 31.53 H new ATOM 0 HG LEU A 81 -3.145 6.274 20.784 1.00 31.00 H new ATOM 0 HD11 LEU A 81 -4.325 4.779 19.223 1.00 74.10 H new ATOM 0 HD12 LEU A 81 -2.625 4.299 19.440 1.00 74.10 H new ATOM 0 HD13 LEU A 81 -3.918 3.387 20.255 1.00 74.10 H new ATOM 0 HD21 LEU A 81 -5.560 5.867 21.060 1.00 75.41 H new ATOM 0 HD22 LEU A 81 -5.201 4.519 22.165 1.00 75.41 H new ATOM 0 HD23 LEU A 81 -4.761 6.183 22.619 1.00 75.41 H new ATOM 1305 N TRP A 82 -0.998 7.457 22.617 1.00 61.34 N ATOM 1306 CA TRP A 82 -0.917 8.904 22.453 1.00 64.23 C ATOM 1307 C TRP A 82 0.523 9.344 22.211 1.00 51.13 C ATOM 1308 O TRP A 82 0.774 10.477 21.801 1.00 74.11 O ATOM 1309 CB TRP A 82 -1.478 9.610 23.688 1.00 73.03 C ATOM 1310 CG TRP A 82 -1.236 11.089 23.688 1.00 63.01 C ATOM 1311 CD1 TRP A 82 -2.047 12.053 23.161 1.00 73.30 C ATOM 1312 CD2 TRP A 82 -0.105 11.772 24.240 1.00 63.24 C ATOM 1313 NE1 TRP A 82 -1.489 13.294 23.352 1.00 61.41 N ATOM 1314 CE2 TRP A 82 -0.297 13.149 24.012 1.00 35.50 C ATOM 1315 CE3 TRP A 82 1.051 11.355 24.906 1.00 71.35 C ATOM 1316 CZ2 TRP A 82 0.623 14.107 24.426 1.00 4.21 C ATOM 1317 CZ3 TRP A 82 1.964 12.307 25.315 1.00 0.45 C ATOM 1318 CH2 TRP A 82 1.746 13.671 25.076 1.00 71.45 C ATOM 0 H TRP A 82 -1.120 7.148 23.581 1.00 61.34 H new ATOM 0 HA TRP A 82 -1.513 9.180 21.583 1.00 64.23 H new ATOM 0 HB2 TRP A 82 -2.550 9.425 23.748 1.00 73.03 H new ATOM 0 HB3 TRP A 82 -1.029 9.176 24.581 1.00 73.03 H new ATOM 0 HD1 TRP A 82 -2.989 11.867 22.667 1.00 73.30 H new ATOM 0 HE1 TRP A 82 -1.896 14.180 23.051 1.00 61.41 H new ATOM 0 HE3 TRP A 82 1.227 10.307 25.097 1.00 71.35 H new ATOM 0 HZ2 TRP A 82 0.457 15.158 24.241 1.00 4.21 H new ATOM 0 HZ3 TRP A 82 2.862 11.995 25.828 1.00 0.45 H new ATOM 0 HH2 TRP A 82 2.478 14.391 25.411 1.00 71.45 H new ATOM 1329 N GLU A 83 1.465 8.441 22.467 1.00 54.31 N ATOM 1330 CA GLU A 83 2.879 8.739 22.277 1.00 43.13 C ATOM 1331 C GLU A 83 3.285 8.544 20.819 1.00 62.13 C ATOM 1332 O GLU A 83 4.292 9.089 20.366 1.00 41.14 O ATOM 1333 CB GLU A 83 3.736 7.850 23.180 1.00 64.43 C ATOM 1334 CG GLU A 83 3.846 8.357 24.608 1.00 51.45 C ATOM 1335 CD GLU A 83 4.473 7.341 25.542 1.00 70.12 C ATOM 1336 OE1 GLU A 83 5.003 6.325 25.045 1.00 10.30 O ATOM 1337 OE2 GLU A 83 4.434 7.562 26.770 1.00 34.24 O ATOM 0 H GLU A 83 1.274 7.498 22.806 1.00 54.31 H new ATOM 0 HA GLU A 83 3.043 9.783 22.545 1.00 43.13 H new ATOM 0 HB2 GLU A 83 3.314 6.845 23.192 1.00 64.43 H new ATOM 0 HB3 GLU A 83 4.736 7.771 22.754 1.00 64.43 H new ATOM 0 HG2 GLU A 83 4.440 9.271 24.620 1.00 51.45 H new ATOM 0 HG3 GLU A 83 2.853 8.617 24.974 1.00 51.45 H new ATOM 1344 N ILE A 84 2.495 7.763 20.090 1.00 30.44 N ATOM 1345 CA ILE A 84 2.771 7.496 18.684 1.00 23.33 C ATOM 1346 C ILE A 84 2.708 8.776 17.859 1.00 43.41 C ATOM 1347 O ILE A 84 3.324 8.874 16.797 1.00 31.23 O ATOM 1348 CB ILE A 84 1.780 6.472 18.100 1.00 15.40 C ATOM 1349 CG1 ILE A 84 2.344 5.858 16.818 1.00 73.44 C ATOM 1350 CG2 ILE A 84 0.435 7.132 17.831 1.00 62.11 C ATOM 1351 CD1 ILE A 84 1.412 4.860 16.165 1.00 24.03 C ATOM 0 H ILE A 84 1.658 7.304 20.450 1.00 30.44 H new ATOM 0 HA ILE A 84 3.779 7.083 18.633 1.00 23.33 H new ATOM 0 HB ILE A 84 1.633 5.674 18.828 1.00 15.40 H new ATOM 0 HG12 ILE A 84 2.564 6.656 16.109 1.00 73.44 H new ATOM 0 HG13 ILE A 84 3.289 5.365 17.046 1.00 73.44 H new ATOM 0 HG21 ILE A 84 -0.255 6.396 17.418 1.00 62.11 H new ATOM 0 HG22 ILE A 84 0.030 7.527 18.763 1.00 62.11 H new ATOM 0 HG23 ILE A 84 0.565 7.947 17.119 1.00 62.11 H new ATOM 0 HD11 ILE A 84 1.877 4.465 15.262 1.00 24.03 H new ATOM 0 HD12 ILE A 84 1.212 4.042 16.857 1.00 24.03 H new ATOM 0 HD13 ILE A 84 0.475 5.353 15.905 1.00 24.03 H new ATOM 1363 N ASP A 85 1.962 9.757 18.355 1.00 73.12 N ATOM 1364 CA ASP A 85 1.820 11.034 17.665 1.00 63.11 C ATOM 1365 C ASP A 85 2.427 12.166 18.488 1.00 42.14 C ATOM 1366 O ASP A 85 2.304 13.338 18.135 1.00 52.15 O ATOM 1367 CB ASP A 85 0.345 11.325 17.383 1.00 4.25 C ATOM 1368 CG ASP A 85 0.154 12.251 16.198 1.00 30.22 C ATOM 1369 OD1 ASP A 85 0.905 12.113 15.210 1.00 70.33 O ATOM 1370 OD2 ASP A 85 -0.747 13.113 16.259 1.00 74.24 O ATOM 0 H ASP A 85 1.446 9.692 19.233 1.00 73.12 H new ATOM 0 HA ASP A 85 2.356 10.969 16.718 1.00 63.11 H new ATOM 0 HB2 ASP A 85 -0.178 10.387 17.196 1.00 4.25 H new ATOM 0 HB3 ASP A 85 -0.110 11.772 18.267 1.00 4.25 H new ATOM 1375 N ASN A 86 3.082 11.807 19.587 1.00 60.20 N ATOM 1376 CA ASN A 86 3.707 12.793 20.461 1.00 32.12 C ATOM 1377 C ASN A 86 5.141 12.393 20.796 1.00 75.54 C ATOM 1378 O ASN A 86 6.092 13.063 20.397 1.00 71.33 O ATOM 1379 CB ASN A 86 2.896 12.950 21.749 1.00 53.11 C ATOM 1380 CG ASN A 86 1.631 13.760 21.540 1.00 34.22 C ATOM 1381 OD1 ASN A 86 1.591 14.956 21.828 1.00 4.14 O ATOM 1382 ND2 ASN A 86 0.588 13.109 21.037 1.00 42.11 N ATOM 0 H ASN A 86 3.194 10.841 19.894 1.00 60.20 H new ATOM 0 HA ASN A 86 3.729 13.747 19.934 1.00 32.12 H new ATOM 0 HB2 ASN A 86 2.634 11.964 22.133 1.00 53.11 H new ATOM 0 HB3 ASN A 86 3.513 13.433 22.507 1.00 53.11 H new ATOM 0 HD21 ASN A 86 -0.291 13.601 20.875 1.00 42.11 H new ATOM 0 HD22 ASN A 86 0.666 12.117 20.813 1.00 42.11 H new ATOM 1389 N ASN A 87 5.286 11.295 21.530 1.00 25.52 N ATOM 1390 CA ASN A 87 6.604 10.804 21.919 1.00 50.34 C ATOM 1391 C ASN A 87 6.916 9.479 21.230 1.00 51.11 C ATOM 1392 O ASN A 87 6.879 8.410 21.840 1.00 52.22 O ATOM 1393 CB ASN A 87 6.680 10.633 23.437 1.00 2.11 C ATOM 1394 CG ASN A 87 8.105 10.681 23.953 1.00 2.35 C ATOM 1395 OD1 ASN A 87 8.484 11.601 24.679 1.00 15.20 O ATOM 1396 ND2 ASN A 87 8.904 9.688 23.580 1.00 35.14 N ATOM 0 H ASN A 87 4.508 10.728 21.868 1.00 25.52 H new ATOM 0 HA ASN A 87 7.345 11.539 21.606 1.00 50.34 H new ATOM 0 HB2 ASN A 87 6.096 11.417 23.918 1.00 2.11 H new ATOM 0 HB3 ASN A 87 6.227 9.682 23.716 1.00 2.11 H new ATOM 0 HD21 ASN A 87 9.874 9.667 23.896 1.00 35.14 H new ATOM 0 HD22 ASN A 87 8.548 8.946 22.977 1.00 35.14 H new ATOM 1403 N PRO A 88 7.232 9.549 19.928 1.00 32.32 N ATOM 1404 CA PRO A 88 7.558 8.364 19.128 1.00 13.33 C ATOM 1405 C PRO A 88 8.897 7.750 19.521 1.00 40.11 C ATOM 1406 O PRO A 88 9.257 6.669 19.055 1.00 73.12 O ATOM 1407 CB PRO A 88 7.617 8.907 17.698 1.00 2.44 C ATOM 1408 CG PRO A 88 7.948 10.351 17.855 1.00 2.41 C ATOM 1409 CD PRO A 88 7.296 10.789 19.137 1.00 14.12 C ATOM 0 HA PRO A 88 6.829 7.566 19.265 1.00 13.33 H new ATOM 0 HB2 PRO A 88 8.374 8.389 17.109 1.00 2.44 H new ATOM 0 HB3 PRO A 88 6.665 8.773 17.184 1.00 2.44 H new ATOM 0 HG2 PRO A 88 9.027 10.502 17.895 1.00 2.41 H new ATOM 0 HG3 PRO A 88 7.576 10.931 17.010 1.00 2.41 H new ATOM 0 HD2 PRO A 88 7.880 11.558 19.642 1.00 14.12 H new ATOM 0 HD3 PRO A 88 6.304 11.205 18.962 1.00 14.12 H new ATOM 1417 N LYS A 89 9.632 8.446 20.382 1.00 42.15 N ATOM 1418 CA LYS A 89 10.932 7.969 20.839 1.00 12.12 C ATOM 1419 C LYS A 89 10.893 7.625 22.325 1.00 52.13 C ATOM 1420 O LYS A 89 11.854 7.870 23.054 1.00 32.43 O ATOM 1421 CB LYS A 89 12.007 9.026 20.578 1.00 41.13 C ATOM 1422 CG LYS A 89 12.050 9.507 19.138 1.00 54.24 C ATOM 1423 CD LYS A 89 13.411 10.080 18.781 1.00 62.51 C ATOM 1424 CE LYS A 89 13.501 11.559 19.124 1.00 63.42 C ATOM 1425 NZ LYS A 89 14.905 11.985 19.378 1.00 65.41 N ATOM 0 H LYS A 89 9.349 9.343 20.777 1.00 42.15 H new ATOM 0 HA LYS A 89 11.177 7.065 20.280 1.00 12.12 H new ATOM 0 HB2 LYS A 89 11.832 9.880 21.232 1.00 41.13 H new ATOM 0 HB3 LYS A 89 12.981 8.615 20.844 1.00 41.13 H new ATOM 0 HG2 LYS A 89 11.817 8.678 18.470 1.00 54.24 H new ATOM 0 HG3 LYS A 89 11.283 10.266 18.984 1.00 54.24 H new ATOM 0 HD2 LYS A 89 14.188 9.534 19.315 1.00 62.51 H new ATOM 0 HD3 LYS A 89 13.598 9.940 17.716 1.00 62.51 H new ATOM 0 HE2 LYS A 89 13.085 12.147 18.306 1.00 63.42 H new ATOM 0 HE3 LYS A 89 12.894 11.765 20.006 1.00 63.42 H new ATOM 0 HZ1 LYS A 89 14.924 12.999 19.608 1.00 65.41 H new ATOM 0 HZ2 LYS A 89 15.294 11.442 20.175 1.00 65.41 H new ATOM 0 HZ3 LYS A 89 15.479 11.812 18.528 1.00 65.41 H new ATOM 1439 N VAL A 90 9.776 7.055 22.766 1.00 1.05 N ATOM 1440 CA VAL A 90 9.613 6.675 24.165 1.00 62.24 C ATOM 1441 C VAL A 90 10.453 5.448 24.502 1.00 41.00 C ATOM 1442 O VAL A 90 10.704 5.156 25.671 1.00 31.34 O ATOM 1443 CB VAL A 90 8.138 6.381 24.498 1.00 5.43 C ATOM 1444 CG1 VAL A 90 7.645 5.172 23.719 1.00 21.32 C ATOM 1445 CG2 VAL A 90 7.963 6.170 25.995 1.00 41.15 C ATOM 0 H VAL A 90 8.971 6.846 22.175 1.00 1.05 H new ATOM 0 HA VAL A 90 9.952 7.520 24.765 1.00 62.24 H new ATOM 0 HB VAL A 90 7.538 7.242 24.203 1.00 5.43 H new ATOM 0 HG11 VAL A 90 6.601 4.980 23.968 1.00 21.32 H new ATOM 0 HG12 VAL A 90 7.734 5.367 22.650 1.00 21.32 H new ATOM 0 HG13 VAL A 90 8.246 4.301 23.980 1.00 21.32 H new ATOM 0 HG21 VAL A 90 6.915 5.963 26.213 1.00 41.15 H new ATOM 0 HG22 VAL A 90 8.574 5.327 26.317 1.00 41.15 H new ATOM 0 HG23 VAL A 90 8.274 7.068 26.528 1.00 41.15 H new