USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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 35 HIS : no HE2:sc= -0.945 K(o=-0.94,f=-3.9!) USER MOD Set 1.2: A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 163:sc=-0.00753 (180deg=-0.109) USER MOD Single : A 8 TYR OH : rot -67:sc= 0.238 USER MOD Single : A 9 TYR OH : rot 30:sc= -0.433 USER MOD Single : A 10 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.44) USER MOD Single : A 17 ASN : amide:sc= -0.013 K(o=-0.013,f=-0.62) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.929 F(o=-3.2,f=-0.93) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -141:sc= 0.0688 (180deg=-0.602) USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.577) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.617 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.201 K(o=-0.2,f=-0.87) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.0253 (180deg=-0.262) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.86 X(o=-2.9,f=-3.2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.595 K(o=-0.6,f=-1.5) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.194 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0206 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.31) USER MOD Single : A 68 TYR OH : rot 30:sc= -0.4 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -1.328 3.575 0.380 1.00 33.40 N ATOM 2 CA HIS A 1 -1.956 3.290 -0.906 1.00 1.14 C ATOM 3 C HIS A 1 -2.093 1.786 -1.122 1.00 44.04 C ATOM 4 O HIS A 1 -1.103 1.089 -1.346 1.00 12.23 O ATOM 5 CB HIS A 1 -1.142 3.909 -2.042 1.00 51.13 C ATOM 6 CG HIS A 1 -1.519 5.326 -2.346 1.00 54.24 C ATOM 7 ND1 HIS A 1 -1.580 5.830 -3.628 1.00 41.54 N ATOM 8 CD2 HIS A 1 -1.859 6.348 -1.526 1.00 24.35 C ATOM 9 CE1 HIS A 1 -1.938 7.101 -3.583 1.00 12.22 C ATOM 10 NE2 HIS A 1 -2.114 7.440 -2.318 1.00 60.52 N ATOM 0 H1 HIS A 1 -1.245 4.604 0.505 1.00 33.40 H new ATOM 0 H2 HIS A 1 -1.910 3.179 1.146 1.00 33.40 H new ATOM 0 H3 HIS A 1 -0.381 3.146 0.407 1.00 33.40 H new ATOM 0 HA HIS A 1 -2.953 3.730 -0.902 1.00 1.14 H new ATOM 0 HB2 HIS A 1 -0.084 3.871 -1.782 1.00 51.13 H new ATOM 0 HB3 HIS A 1 -1.272 3.306 -2.941 1.00 51.13 H new ATOM 0 HD2 HIS A 1 -1.919 6.311 -0.448 1.00 24.35 H new ATOM 0 HE1 HIS A 1 -2.065 7.752 -4.435 1.00 12.22 H new ATOM 0 HE2 HIS A 1 -2.394 8.362 -1.984 1.00 60.52 H new ATOM 18 N MET A 2 -3.325 1.293 -1.054 1.00 62.21 N ATOM 19 CA MET A 2 -3.590 -0.129 -1.243 1.00 51.45 C ATOM 20 C MET A 2 -4.320 -0.375 -2.560 1.00 13.30 C ATOM 21 O MET A 2 -5.331 0.267 -2.850 1.00 60.24 O ATOM 22 CB MET A 2 -4.418 -0.674 -0.078 1.00 64.52 C ATOM 23 CG MET A 2 -4.561 -2.188 -0.091 1.00 52.32 C ATOM 24 SD MET A 2 -3.151 -3.026 0.658 1.00 53.32 S ATOM 25 CE MET A 2 -2.627 -4.079 -0.692 1.00 71.35 C ATOM 0 H MET A 2 -4.155 1.856 -0.870 1.00 62.21 H new ATOM 0 HA MET A 2 -2.634 -0.651 -1.275 1.00 51.45 H new ATOM 0 HB2 MET A 2 -3.955 -0.369 0.860 1.00 64.52 H new ATOM 0 HB3 MET A 2 -5.410 -0.223 -0.105 1.00 64.52 H new ATOM 0 HG2 MET A 2 -5.470 -2.468 0.442 1.00 52.32 H new ATOM 0 HG3 MET A 2 -4.677 -2.529 -1.120 1.00 52.32 H new ATOM 0 HE1 MET A 2 -1.760 -4.663 -0.383 1.00 71.35 H new ATOM 0 HE2 MET A 2 -3.440 -4.752 -0.965 1.00 71.35 H new ATOM 0 HE3 MET A 2 -2.362 -3.464 -1.552 1.00 71.35 H new ATOM 35 N LEU A 3 -3.803 -1.306 -3.353 1.00 62.31 N ATOM 36 CA LEU A 3 -4.406 -1.637 -4.640 1.00 3.14 C ATOM 37 C LEU A 3 -5.634 -2.522 -4.454 1.00 11.10 C ATOM 38 O LEU A 3 -5.556 -3.590 -3.848 1.00 62.33 O ATOM 39 CB LEU A 3 -3.386 -2.341 -5.537 1.00 35.32 C ATOM 40 CG LEU A 3 -2.323 -1.447 -6.175 1.00 22.12 C ATOM 41 CD1 LEU A 3 -1.237 -1.106 -5.166 1.00 14.42 C ATOM 42 CD2 LEU A 3 -1.722 -2.123 -7.399 1.00 11.02 C ATOM 0 H LEU A 3 -2.967 -1.846 -3.128 1.00 62.31 H new ATOM 0 HA LEU A 3 -4.720 -0.708 -5.117 1.00 3.14 H new ATOM 0 HB2 LEU A 3 -2.882 -3.107 -4.948 1.00 35.32 H new ATOM 0 HB3 LEU A 3 -3.925 -2.855 -6.333 1.00 35.32 H new ATOM 0 HG LEU A 3 -2.799 -0.520 -6.494 1.00 22.12 H new ATOM 0 HD11 LEU A 3 -0.489 -0.469 -5.638 1.00 14.42 H new ATOM 0 HD12 LEU A 3 -1.679 -0.581 -4.319 1.00 14.42 H new ATOM 0 HD13 LEU A 3 -0.764 -2.024 -4.817 1.00 14.42 H new ATOM 0 HD21 LEU A 3 -0.967 -1.472 -7.840 1.00 11.02 H new ATOM 0 HD22 LEU A 3 -1.261 -3.066 -7.104 1.00 11.02 H new ATOM 0 HD23 LEU A 3 -2.507 -2.316 -8.130 1.00 11.02 H new ATOM 54 N ALA A 4 -6.767 -2.070 -4.981 1.00 74.42 N ATOM 55 CA ALA A 4 -8.011 -2.823 -4.877 1.00 74.13 C ATOM 56 C ALA A 4 -7.929 -4.131 -5.658 1.00 2.52 C ATOM 57 O ALA A 4 -7.077 -4.291 -6.533 1.00 33.05 O ATOM 58 CB ALA A 4 -9.179 -1.983 -5.373 1.00 33.21 C ATOM 0 H ALA A 4 -6.849 -1.187 -5.484 1.00 74.42 H new ATOM 0 HA ALA A 4 -8.172 -3.067 -3.827 1.00 74.13 H new ATOM 0 HB1 ALA A 4 -10.102 -2.557 -5.290 1.00 33.21 H new ATOM 0 HB2 ALA A 4 -9.259 -1.079 -4.770 1.00 33.21 H new ATOM 0 HB3 ALA A 4 -9.014 -1.710 -6.415 1.00 33.21 H new ATOM 64 N LYS A 5 -8.818 -5.064 -5.336 1.00 12.42 N ATOM 65 CA LYS A 5 -8.847 -6.358 -6.007 1.00 11.24 C ATOM 66 C LYS A 5 -8.970 -6.185 -7.517 1.00 65.02 C ATOM 67 O LYS A 5 -9.682 -5.303 -7.994 1.00 13.53 O ATOM 68 CB LYS A 5 -10.012 -7.201 -5.483 1.00 10.10 C ATOM 69 CG LYS A 5 -9.681 -7.978 -4.221 1.00 31.13 C ATOM 70 CD LYS A 5 -9.406 -9.442 -4.523 1.00 14.32 C ATOM 71 CE LYS A 5 -7.922 -9.699 -4.732 1.00 2.54 C ATOM 72 NZ LYS A 5 -7.163 -9.641 -3.451 1.00 55.23 N ATOM 0 H LYS A 5 -9.529 -4.948 -4.614 1.00 12.42 H new ATOM 0 HA LYS A 5 -7.910 -6.871 -5.793 1.00 11.24 H new ATOM 0 HB2 LYS A 5 -10.862 -6.548 -5.285 1.00 10.10 H new ATOM 0 HB3 LYS A 5 -10.322 -7.900 -6.260 1.00 10.10 H new ATOM 0 HG2 LYS A 5 -8.810 -7.535 -3.738 1.00 31.13 H new ATOM 0 HG3 LYS A 5 -10.509 -7.900 -3.517 1.00 31.13 H new ATOM 0 HD2 LYS A 5 -9.771 -10.059 -3.702 1.00 14.32 H new ATOM 0 HD3 LYS A 5 -9.957 -9.740 -5.415 1.00 14.32 H new ATOM 0 HE2 LYS A 5 -7.784 -10.678 -5.192 1.00 2.54 H new ATOM 0 HE3 LYS A 5 -7.520 -8.961 -5.426 1.00 2.54 H new ATOM 0 HZ1 LYS A 5 -6.235 -10.094 -3.576 1.00 55.23 H new ATOM 0 HZ2 LYS A 5 -7.029 -8.648 -3.172 1.00 55.23 H new ATOM 0 HZ3 LYS A 5 -7.694 -10.141 -2.710 1.00 55.23 H new ATOM 86 N GLU A 6 -8.271 -7.034 -8.264 1.00 62.31 N ATOM 87 CA GLU A 6 -8.303 -6.974 -9.721 1.00 30.53 C ATOM 88 C GLU A 6 -9.044 -8.177 -10.298 1.00 62.04 C ATOM 89 O GLU A 6 -8.822 -9.314 -9.882 1.00 74.45 O ATOM 90 CB GLU A 6 -6.881 -6.920 -10.283 1.00 1.44 C ATOM 91 CG GLU A 6 -6.345 -5.507 -10.447 1.00 34.22 C ATOM 92 CD GLU A 6 -4.887 -5.481 -10.861 1.00 2.34 C ATOM 93 OE1 GLU A 6 -4.494 -4.544 -11.588 1.00 72.51 O ATOM 94 OE2 GLU A 6 -4.138 -6.395 -10.458 1.00 35.42 O ATOM 0 H GLU A 6 -7.676 -7.771 -7.885 1.00 62.31 H new ATOM 0 HA GLU A 6 -8.835 -6.068 -10.010 1.00 30.53 H new ATOM 0 HB2 GLU A 6 -6.217 -7.477 -9.622 1.00 1.44 H new ATOM 0 HB3 GLU A 6 -6.862 -7.421 -11.251 1.00 1.44 H new ATOM 0 HG2 GLU A 6 -6.940 -4.981 -11.193 1.00 34.22 H new ATOM 0 HG3 GLU A 6 -6.462 -4.967 -9.508 1.00 34.22 H new ATOM 101 N ASP A 7 -9.924 -7.917 -11.258 1.00 52.55 N ATOM 102 CA ASP A 7 -10.698 -8.976 -11.894 1.00 70.44 C ATOM 103 C ASP A 7 -10.315 -9.122 -13.364 1.00 22.32 C ATOM 104 O ASP A 7 -9.755 -8.204 -13.964 1.00 20.41 O ATOM 105 CB ASP A 7 -12.195 -8.688 -11.771 1.00 70.41 C ATOM 106 CG ASP A 7 -12.574 -8.172 -10.397 1.00 30.20 C ATOM 107 OD1 ASP A 7 -12.127 -8.768 -9.395 1.00 22.43 O ATOM 108 OD2 ASP A 7 -13.317 -7.171 -10.324 1.00 31.42 O ATOM 0 H ASP A 7 -10.119 -6.981 -11.613 1.00 52.55 H new ATOM 0 HA ASP A 7 -10.473 -9.912 -11.384 1.00 70.44 H new ATOM 0 HB2 ASP A 7 -12.484 -7.955 -12.524 1.00 70.41 H new ATOM 0 HB3 ASP A 7 -12.756 -9.599 -11.981 1.00 70.41 H new ATOM 113 N TYR A 8 -10.619 -10.281 -13.937 1.00 21.42 N ATOM 114 CA TYR A 8 -10.303 -10.549 -15.335 1.00 12.01 C ATOM 115 C TYR A 8 -11.093 -9.626 -16.258 1.00 3.20 C ATOM 116 O TYR A 8 -10.660 -9.323 -17.370 1.00 61.12 O ATOM 117 CB TYR A 8 -10.604 -12.009 -15.677 1.00 23.20 C ATOM 118 CG TYR A 8 -10.035 -12.994 -14.680 1.00 53.03 C ATOM 119 CD1 TYR A 8 -10.782 -14.082 -14.246 1.00 74.22 C ATOM 120 CD2 TYR A 8 -8.752 -12.836 -14.172 1.00 40.10 C ATOM 121 CE1 TYR A 8 -10.268 -14.984 -13.335 1.00 64.22 C ATOM 122 CE2 TYR A 8 -8.229 -13.734 -13.262 1.00 4.31 C ATOM 123 CZ TYR A 8 -8.990 -14.806 -12.846 1.00 52.14 C ATOM 124 OH TYR A 8 -8.473 -15.702 -11.939 1.00 1.32 O ATOM 0 H TYR A 8 -11.084 -11.050 -13.455 1.00 21.42 H new ATOM 0 HA TYR A 8 -9.240 -10.360 -15.484 1.00 12.01 H new ATOM 0 HB2 TYR A 8 -11.684 -12.145 -15.734 1.00 23.20 H new ATOM 0 HB3 TYR A 8 -10.202 -12.232 -16.665 1.00 23.20 H new ATOM 0 HD1 TYR A 8 -11.782 -14.225 -14.628 1.00 74.22 H new ATOM 0 HD2 TYR A 8 -8.153 -11.997 -14.494 1.00 40.10 H new ATOM 0 HE1 TYR A 8 -10.863 -15.824 -13.007 1.00 64.22 H new ATOM 0 HE2 TYR A 8 -7.229 -13.597 -12.878 1.00 4.31 H new ATOM 0 HH TYR A 8 -8.966 -15.634 -11.095 1.00 1.32 H new ATOM 134 N TYR A 9 -12.253 -9.181 -15.788 1.00 23.41 N ATOM 135 CA TYR A 9 -13.105 -8.294 -16.570 1.00 40.03 C ATOM 136 C TYR A 9 -12.318 -7.089 -17.076 1.00 0.43 C ATOM 137 O TYR A 9 -12.424 -6.710 -18.242 1.00 13.44 O ATOM 138 CB TYR A 9 -14.295 -7.825 -15.731 1.00 41.15 C ATOM 139 CG TYR A 9 -15.097 -8.958 -15.131 1.00 42.44 C ATOM 140 CD1 TYR A 9 -15.036 -9.234 -13.771 1.00 40.22 C ATOM 141 CD2 TYR A 9 -15.916 -9.751 -15.925 1.00 32.11 C ATOM 142 CE1 TYR A 9 -15.766 -10.268 -13.219 1.00 33.20 C ATOM 143 CE2 TYR A 9 -16.651 -10.787 -15.381 1.00 53.31 C ATOM 144 CZ TYR A 9 -16.573 -11.042 -14.028 1.00 5.42 C ATOM 145 OH TYR A 9 -17.303 -12.072 -13.481 1.00 63.04 O ATOM 0 H TYR A 9 -12.625 -9.420 -14.869 1.00 23.41 H new ATOM 0 HA TYR A 9 -13.474 -8.852 -17.431 1.00 40.03 H new ATOM 0 HB2 TYR A 9 -13.932 -7.183 -14.928 1.00 41.15 H new ATOM 0 HB3 TYR A 9 -14.951 -7.217 -16.354 1.00 41.15 H new ATOM 0 HD1 TYR A 9 -14.407 -8.630 -13.134 1.00 40.22 H new ATOM 0 HD2 TYR A 9 -15.979 -9.554 -16.985 1.00 32.11 H new ATOM 0 HE1 TYR A 9 -15.706 -10.470 -12.160 1.00 33.20 H new ATOM 0 HE2 TYR A 9 -17.283 -11.394 -16.012 1.00 53.31 H new ATOM 0 HH TYR A 9 -17.532 -11.854 -12.553 1.00 63.04 H new ATOM 155 N GLN A 10 -11.528 -6.492 -16.189 1.00 11.22 N ATOM 156 CA GLN A 10 -10.723 -5.329 -16.544 1.00 62.42 C ATOM 157 C GLN A 10 -9.543 -5.733 -17.423 1.00 12.51 C ATOM 158 O GLN A 10 -9.210 -5.042 -18.387 1.00 34.03 O ATOM 159 CB GLN A 10 -10.218 -4.627 -15.282 1.00 63.55 C ATOM 160 CG GLN A 10 -11.302 -3.870 -14.532 1.00 65.23 C ATOM 161 CD GLN A 10 -12.132 -4.771 -13.639 1.00 65.33 C ATOM 162 OE1 GLN A 10 -11.613 -5.393 -12.711 1.00 52.32 O ATOM 163 NE2 GLN A 10 -13.428 -4.847 -13.915 1.00 52.23 N ATOM 0 H GLN A 10 -11.428 -6.794 -15.220 1.00 11.22 H new ATOM 0 HA GLN A 10 -11.353 -4.640 -17.106 1.00 62.42 H new ATOM 0 HB2 GLN A 10 -9.777 -5.368 -14.616 1.00 63.55 H new ATOM 0 HB3 GLN A 10 -9.424 -3.932 -15.556 1.00 63.55 H new ATOM 0 HG2 GLN A 10 -10.842 -3.089 -13.927 1.00 65.23 H new ATOM 0 HG3 GLN A 10 -11.956 -3.374 -15.249 1.00 65.23 H new ATOM 0 HE21 GLN A 10 -13.816 -4.314 -14.694 1.00 52.23 H new ATOM 0 HE22 GLN A 10 -14.036 -5.438 -13.348 1.00 52.23 H new ATOM 172 N ILE A 11 -8.915 -6.853 -17.084 1.00 21.13 N ATOM 173 CA ILE A 11 -7.773 -7.348 -17.843 1.00 0.34 C ATOM 174 C ILE A 11 -8.141 -7.575 -19.305 1.00 13.12 C ATOM 175 O ILE A 11 -7.276 -7.580 -20.181 1.00 64.50 O ATOM 176 CB ILE A 11 -7.231 -8.662 -17.251 1.00 62.42 C ATOM 177 CG1 ILE A 11 -6.864 -8.471 -15.778 1.00 63.32 C ATOM 178 CG2 ILE A 11 -6.025 -9.143 -18.045 1.00 53.12 C ATOM 179 CD1 ILE A 11 -6.628 -9.771 -15.041 1.00 14.24 C ATOM 0 H ILE A 11 -9.177 -7.435 -16.289 1.00 21.13 H new ATOM 0 HA ILE A 11 -6.998 -6.584 -17.781 1.00 0.34 H new ATOM 0 HB ILE A 11 -8.011 -9.421 -17.316 1.00 62.42 H new ATOM 0 HG12 ILE A 11 -5.966 -7.857 -15.712 1.00 63.32 H new ATOM 0 HG13 ILE A 11 -7.663 -7.921 -15.281 1.00 63.32 H new ATOM 0 HG21 ILE A 11 -5.653 -10.073 -17.614 1.00 53.12 H new ATOM 0 HG22 ILE A 11 -6.316 -9.314 -19.081 1.00 53.12 H new ATOM 0 HG23 ILE A 11 -5.241 -8.387 -18.009 1.00 53.12 H new ATOM 0 HD11 ILE A 11 -6.372 -9.559 -14.003 1.00 14.24 H new ATOM 0 HD12 ILE A 11 -7.533 -10.378 -15.075 1.00 14.24 H new ATOM 0 HD13 ILE A 11 -5.809 -10.313 -15.513 1.00 14.24 H new ATOM 191 N LEU A 12 -9.431 -7.760 -19.562 1.00 73.41 N ATOM 192 CA LEU A 12 -9.916 -7.986 -20.919 1.00 70.24 C ATOM 193 C LEU A 12 -10.683 -6.772 -21.433 1.00 12.13 C ATOM 194 O LEU A 12 -10.914 -6.633 -22.633 1.00 15.21 O ATOM 195 CB LEU A 12 -10.812 -9.225 -20.963 1.00 21.34 C ATOM 196 CG LEU A 12 -10.103 -10.558 -21.209 1.00 12.31 C ATOM 197 CD1 LEU A 12 -11.031 -11.722 -20.896 1.00 3.51 C ATOM 198 CD2 LEU A 12 -9.607 -10.640 -22.645 1.00 61.20 C ATOM 0 H LEU A 12 -10.160 -7.758 -18.849 1.00 73.41 H new ATOM 0 HA LEU A 12 -9.052 -8.147 -21.564 1.00 70.24 H new ATOM 0 HB2 LEU A 12 -11.352 -9.292 -20.018 1.00 21.34 H new ATOM 0 HB3 LEU A 12 -11.557 -9.083 -21.746 1.00 21.34 H new ATOM 0 HG LEU A 12 -9.242 -10.618 -20.544 1.00 12.31 H new ATOM 0 HD11 LEU A 12 -10.509 -12.662 -21.077 1.00 3.51 H new ATOM 0 HD12 LEU A 12 -11.337 -11.672 -19.851 1.00 3.51 H new ATOM 0 HD13 LEU A 12 -11.912 -11.667 -21.535 1.00 3.51 H new ATOM 0 HD21 LEU A 12 -9.105 -11.595 -22.803 1.00 61.20 H new ATOM 0 HD22 LEU A 12 -10.453 -10.558 -23.327 1.00 61.20 H new ATOM 0 HD23 LEU A 12 -8.907 -9.826 -22.835 1.00 61.20 H new ATOM 210 N GLY A 13 -11.074 -5.893 -20.514 1.00 61.22 N ATOM 211 CA GLY A 13 -11.809 -4.701 -20.894 1.00 2.24 C ATOM 212 C GLY A 13 -13.272 -4.985 -21.170 1.00 62.04 C ATOM 213 O GLY A 13 -13.925 -4.252 -21.913 1.00 44.40 O ATOM 0 H GLY A 13 -10.895 -5.986 -19.514 1.00 61.22 H new ATOM 0 HA2 GLY A 13 -11.730 -3.960 -20.098 1.00 2.24 H new ATOM 0 HA3 GLY A 13 -11.353 -4.265 -21.783 1.00 2.24 H new ATOM 217 N VAL A 14 -13.789 -6.054 -20.573 1.00 63.22 N ATOM 218 CA VAL A 14 -15.184 -6.434 -20.760 1.00 21.43 C ATOM 219 C VAL A 14 -15.988 -6.218 -19.483 1.00 1.33 C ATOM 220 O VAL A 14 -15.459 -6.261 -18.372 1.00 11.43 O ATOM 221 CB VAL A 14 -15.311 -7.908 -21.190 1.00 14.22 C ATOM 222 CG1 VAL A 14 -14.566 -8.150 -22.493 1.00 70.24 C ATOM 223 CG2 VAL A 14 -14.798 -8.829 -20.093 1.00 51.23 C ATOM 0 H VAL A 14 -13.263 -6.672 -19.956 1.00 63.22 H new ATOM 0 HA VAL A 14 -15.583 -5.797 -21.549 1.00 21.43 H new ATOM 0 HB VAL A 14 -16.365 -8.131 -21.356 1.00 14.22 H new ATOM 0 HG11 VAL A 14 -14.667 -9.196 -22.781 1.00 70.24 H new ATOM 0 HG12 VAL A 14 -14.985 -7.517 -23.275 1.00 70.24 H new ATOM 0 HG13 VAL A 14 -13.511 -7.911 -22.359 1.00 70.24 H new ATOM 0 HG21 VAL A 14 -14.895 -9.866 -20.414 1.00 51.23 H new ATOM 0 HG22 VAL A 14 -13.750 -8.608 -19.893 1.00 51.23 H new ATOM 0 HG23 VAL A 14 -15.381 -8.674 -19.185 1.00 51.23 H new ATOM 233 N PRO A 15 -17.298 -5.979 -19.642 1.00 33.31 N ATOM 234 CA PRO A 15 -18.204 -5.752 -18.512 1.00 74.12 C ATOM 235 C PRO A 15 -18.434 -7.016 -17.690 1.00 52.41 C ATOM 236 O PRO A 15 -17.954 -8.093 -18.043 1.00 10.10 O ATOM 237 CB PRO A 15 -19.506 -5.308 -19.185 1.00 44.11 C ATOM 238 CG PRO A 15 -19.449 -5.904 -20.549 1.00 51.44 C ATOM 239 CD PRO A 15 -17.996 -5.914 -20.937 1.00 12.11 C ATOM 0 HA PRO A 15 -17.802 -5.024 -17.807 1.00 74.12 H new ATOM 0 HB2 PRO A 15 -20.377 -5.662 -18.634 1.00 44.11 H new ATOM 0 HB3 PRO A 15 -19.578 -4.221 -19.230 1.00 44.11 H new ATOM 0 HG2 PRO A 15 -19.860 -6.913 -20.551 1.00 51.44 H new ATOM 0 HG3 PRO A 15 -20.037 -5.319 -21.255 1.00 51.44 H new ATOM 0 HD2 PRO A 15 -17.754 -6.770 -21.567 1.00 12.11 H new ATOM 0 HD3 PRO A 15 -17.723 -5.019 -21.496 1.00 12.11 H new ATOM 247 N ARG A 16 -19.171 -6.876 -16.593 1.00 74.41 N ATOM 248 CA ARG A 16 -19.464 -8.007 -15.721 1.00 20.14 C ATOM 249 C ARG A 16 -20.583 -8.867 -16.302 1.00 4.04 C ATOM 250 O ARG A 16 -20.869 -9.952 -15.799 1.00 35.44 O ATOM 251 CB ARG A 16 -19.856 -7.515 -14.326 1.00 54.34 C ATOM 252 CG ARG A 16 -18.754 -6.743 -13.620 1.00 63.12 C ATOM 253 CD ARG A 16 -19.263 -5.419 -13.073 1.00 42.33 C ATOM 254 NE ARG A 16 -19.369 -4.401 -14.115 1.00 45.40 N ATOM 255 CZ ARG A 16 -19.897 -3.198 -13.916 1.00 64.05 C ATOM 256 NH1 ARG A 16 -20.364 -2.865 -12.721 1.00 40.34 N ATOM 257 NH2 ARG A 16 -19.957 -2.326 -14.915 1.00 13.35 N ATOM 0 H ARG A 16 -19.576 -5.991 -16.287 1.00 74.41 H new ATOM 0 HA ARG A 16 -18.564 -8.617 -15.644 1.00 20.14 H new ATOM 0 HB2 ARG A 16 -20.738 -6.879 -14.409 1.00 54.34 H new ATOM 0 HB3 ARG A 16 -20.137 -8.372 -13.714 1.00 54.34 H new ATOM 0 HG2 ARG A 16 -18.352 -7.344 -12.804 1.00 63.12 H new ATOM 0 HG3 ARG A 16 -17.934 -6.560 -14.315 1.00 63.12 H new ATOM 0 HD2 ARG A 16 -20.239 -5.569 -12.612 1.00 42.33 H new ATOM 0 HD3 ARG A 16 -18.591 -5.068 -12.290 1.00 42.33 H new ATOM 0 HE ARG A 16 -19.019 -4.626 -15.046 1.00 45.40 H new ATOM 0 HH11 ARG A 16 -20.319 -3.533 -11.951 1.00 40.34 H new ATOM 0 HH12 ARG A 16 -20.769 -1.941 -12.571 1.00 40.34 H new ATOM 0 HH21 ARG A 16 -19.598 -2.579 -15.835 1.00 13.35 H new ATOM 0 HH22 ARG A 16 -20.362 -1.403 -14.762 1.00 13.35 H new ATOM 271 N ASN A 17 -21.211 -8.373 -17.364 1.00 1.05 N ATOM 272 CA ASN A 17 -22.299 -9.095 -18.012 1.00 60.55 C ATOM 273 C ASN A 17 -21.891 -9.553 -19.410 1.00 12.23 C ATOM 274 O ASN A 17 -22.695 -10.125 -20.146 1.00 5.32 O ATOM 275 CB ASN A 17 -23.546 -8.213 -18.096 1.00 73.32 C ATOM 276 CG ASN A 17 -24.187 -7.988 -16.740 1.00 72.14 C ATOM 277 OD1 ASN A 17 -24.244 -8.895 -15.910 1.00 73.20 O ATOM 278 ND2 ASN A 17 -24.674 -6.774 -16.510 1.00 63.14 N ATOM 0 H ASN A 17 -20.985 -7.476 -17.794 1.00 1.05 H new ATOM 0 HA ASN A 17 -22.525 -9.976 -17.411 1.00 60.55 H new ATOM 0 HB2 ASN A 17 -23.278 -7.251 -18.533 1.00 73.32 H new ATOM 0 HB3 ASN A 17 -24.271 -8.676 -18.765 1.00 73.32 H new ATOM 0 HD21 ASN A 17 -25.117 -6.563 -15.616 1.00 63.14 H new ATOM 0 HD22 ASN A 17 -24.605 -6.052 -17.227 1.00 63.14 H new ATOM 285 N ALA A 18 -20.637 -9.297 -19.768 1.00 11.24 N ATOM 286 CA ALA A 18 -20.122 -9.684 -21.075 1.00 25.23 C ATOM 287 C ALA A 18 -20.356 -11.168 -21.340 1.00 3.54 C ATOM 288 O ALA A 18 -20.550 -11.951 -20.410 1.00 53.31 O ATOM 289 CB ALA A 18 -18.639 -9.355 -21.176 1.00 74.50 C ATOM 0 H ALA A 18 -19.959 -8.823 -19.171 1.00 11.24 H new ATOM 0 HA ALA A 18 -20.662 -9.117 -21.834 1.00 25.23 H new ATOM 0 HB1 ALA A 18 -18.267 -9.649 -22.157 1.00 74.50 H new ATOM 0 HB2 ALA A 18 -18.494 -8.283 -21.039 1.00 74.50 H new ATOM 0 HB3 ALA A 18 -18.093 -9.896 -20.404 1.00 74.50 H new ATOM 295 N SER A 19 -20.336 -11.547 -22.613 1.00 52.24 N ATOM 296 CA SER A 19 -20.551 -12.936 -23.001 1.00 31.13 C ATOM 297 C SER A 19 -19.248 -13.578 -23.467 1.00 2.21 C ATOM 298 O SER A 19 -18.240 -12.896 -23.651 1.00 22.32 O ATOM 299 CB SER A 19 -21.601 -13.022 -24.111 1.00 4.24 C ATOM 300 OG SER A 19 -22.816 -12.411 -23.712 1.00 24.22 O ATOM 0 H SER A 19 -20.173 -10.912 -23.394 1.00 52.24 H new ATOM 0 HA SER A 19 -20.911 -13.479 -22.127 1.00 31.13 H new ATOM 0 HB2 SER A 19 -21.224 -12.536 -25.011 1.00 4.24 H new ATOM 0 HB3 SER A 19 -21.782 -14.067 -24.365 1.00 4.24 H new ATOM 0 HG SER A 19 -23.470 -12.478 -24.439 1.00 24.22 H new ATOM 306 N GLN A 20 -19.278 -14.893 -23.656 1.00 23.13 N ATOM 307 CA GLN A 20 -18.099 -15.628 -24.100 1.00 1.43 C ATOM 308 C GLN A 20 -17.686 -15.197 -25.503 1.00 43.11 C ATOM 309 O GLN A 20 -16.517 -15.299 -25.877 1.00 0.43 O ATOM 310 CB GLN A 20 -18.370 -17.133 -24.075 1.00 14.25 C ATOM 311 CG GLN A 20 -19.080 -17.602 -22.815 1.00 10.03 C ATOM 312 CD GLN A 20 -18.473 -17.022 -21.552 1.00 62.05 C ATOM 313 OE1 GLN A 20 -17.401 -17.641 -21.072 1.00 70.43 O flip ATOM 314 NE2 GLN A 20 -18.962 -16.028 -21.014 1.00 64.24 N flip ATOM 0 H GLN A 20 -20.105 -15.471 -23.509 1.00 23.13 H new ATOM 0 HA GLN A 20 -17.282 -15.402 -23.415 1.00 1.43 H new ATOM 0 HB2 GLN A 20 -18.973 -17.400 -24.943 1.00 14.25 H new ATOM 0 HB3 GLN A 20 -17.424 -17.666 -24.169 1.00 14.25 H new ATOM 0 HG2 GLN A 20 -20.132 -17.322 -22.870 1.00 10.03 H new ATOM 0 HG3 GLN A 20 -19.042 -18.690 -22.765 1.00 10.03 H new ATOM 0 HE21 GLN A 20 -19.787 -15.584 -21.417 1.00 64.24 H new ATOM 0 HE22 GLN A 20 -18.542 -15.649 -20.165 1.00 64.24 H new ATOM 323 N LYS A 21 -18.652 -14.715 -26.277 1.00 72.54 N ATOM 324 CA LYS A 21 -18.390 -14.268 -27.640 1.00 51.11 C ATOM 325 C LYS A 21 -17.735 -12.890 -27.644 1.00 31.32 C ATOM 326 O LYS A 21 -16.823 -12.630 -28.428 1.00 10.55 O ATOM 327 CB LYS A 21 -19.691 -14.228 -28.445 1.00 11.21 C ATOM 328 CG LYS A 21 -20.743 -13.305 -27.855 1.00 33.14 C ATOM 329 CD LYS A 21 -22.149 -13.808 -28.139 1.00 23.03 C ATOM 330 CE LYS A 21 -22.523 -14.963 -27.222 1.00 55.33 C ATOM 331 NZ LYS A 21 -23.913 -15.437 -27.468 1.00 74.20 N ATOM 0 H LYS A 21 -19.625 -14.624 -25.983 1.00 72.54 H new ATOM 0 HA LYS A 21 -17.705 -14.978 -28.103 1.00 51.11 H new ATOM 0 HB2 LYS A 21 -19.469 -13.908 -29.463 1.00 11.21 H new ATOM 0 HB3 LYS A 21 -20.100 -15.236 -28.510 1.00 11.21 H new ATOM 0 HG2 LYS A 21 -20.595 -13.225 -26.778 1.00 33.14 H new ATOM 0 HG3 LYS A 21 -20.623 -12.304 -28.269 1.00 33.14 H new ATOM 0 HD2 LYS A 21 -22.861 -12.993 -28.009 1.00 23.03 H new ATOM 0 HD3 LYS A 21 -22.219 -14.130 -29.178 1.00 23.03 H new ATOM 0 HE2 LYS A 21 -21.826 -15.787 -27.373 1.00 55.33 H new ATOM 0 HE3 LYS A 21 -22.425 -14.649 -26.183 1.00 55.33 H new ATOM 0 HZ1 LYS A 21 -24.130 -16.224 -26.824 1.00 74.20 H new ATOM 0 HZ2 LYS A 21 -24.581 -14.657 -27.300 1.00 74.20 H new ATOM 0 HZ3 LYS A 21 -24.000 -15.761 -28.452 1.00 74.20 H new ATOM 345 N GLU A 22 -18.206 -12.014 -26.762 1.00 42.32 N ATOM 346 CA GLU A 22 -17.664 -10.663 -26.665 1.00 32.42 C ATOM 347 C GLU A 22 -16.241 -10.686 -26.116 1.00 24.55 C ATOM 348 O GLU A 22 -15.399 -9.878 -26.509 1.00 72.32 O ATOM 349 CB GLU A 22 -18.553 -9.797 -25.771 1.00 14.51 C ATOM 350 CG GLU A 22 -17.969 -8.425 -25.478 1.00 54.44 C ATOM 351 CD GLU A 22 -18.976 -7.485 -24.844 1.00 74.10 C ATOM 352 OE1 GLU A 22 -20.058 -7.961 -24.440 1.00 52.10 O ATOM 353 OE2 GLU A 22 -18.683 -6.275 -24.752 1.00 13.23 O ATOM 0 H GLU A 22 -18.960 -12.215 -26.105 1.00 42.32 H new ATOM 0 HA GLU A 22 -17.641 -10.235 -27.667 1.00 32.42 H new ATOM 0 HB2 GLU A 22 -19.525 -9.674 -26.249 1.00 14.51 H new ATOM 0 HB3 GLU A 22 -18.724 -10.318 -24.829 1.00 14.51 H new ATOM 0 HG2 GLU A 22 -17.111 -8.534 -24.814 1.00 54.44 H new ATOM 0 HG3 GLU A 22 -17.601 -7.985 -26.405 1.00 54.44 H new ATOM 360 N ILE A 23 -15.980 -11.617 -25.204 1.00 64.30 N ATOM 361 CA ILE A 23 -14.659 -11.746 -24.601 1.00 61.21 C ATOM 362 C ILE A 23 -13.619 -12.159 -25.638 1.00 33.15 C ATOM 363 O ILE A 23 -12.464 -11.738 -25.576 1.00 61.34 O ATOM 364 CB ILE A 23 -14.661 -12.775 -23.455 1.00 12.12 C ATOM 365 CG1 ILE A 23 -15.636 -12.345 -22.357 1.00 33.22 C ATOM 366 CG2 ILE A 23 -13.259 -12.941 -22.890 1.00 24.43 C ATOM 367 CD1 ILE A 23 -16.265 -13.506 -21.619 1.00 74.31 C ATOM 0 H ILE A 23 -16.666 -12.293 -24.867 1.00 64.30 H new ATOM 0 HA ILE A 23 -14.399 -10.767 -24.199 1.00 61.21 H new ATOM 0 HB ILE A 23 -14.988 -13.737 -23.850 1.00 12.12 H new ATOM 0 HG12 ILE A 23 -15.109 -11.713 -21.642 1.00 33.22 H new ATOM 0 HG13 ILE A 23 -16.424 -11.737 -22.800 1.00 33.22 H new ATOM 0 HG21 ILE A 23 -13.277 -13.671 -22.081 1.00 24.43 H new ATOM 0 HG22 ILE A 23 -12.588 -13.287 -23.677 1.00 24.43 H new ATOM 0 HG23 ILE A 23 -12.905 -11.984 -22.507 1.00 24.43 H new ATOM 0 HD11 ILE A 23 -16.944 -13.127 -20.856 1.00 74.31 H new ATOM 0 HD12 ILE A 23 -16.820 -14.127 -22.323 1.00 74.31 H new ATOM 0 HD13 ILE A 23 -15.485 -14.102 -21.146 1.00 74.31 H new ATOM 379 N LYS A 24 -14.038 -12.985 -26.591 1.00 1.32 N ATOM 380 CA LYS A 24 -13.145 -13.453 -27.644 1.00 71.30 C ATOM 381 C LYS A 24 -12.615 -12.284 -28.468 1.00 24.23 C ATOM 382 O LYS A 24 -11.440 -12.253 -28.836 1.00 11.12 O ATOM 383 CB LYS A 24 -13.874 -14.444 -28.555 1.00 44.22 C ATOM 384 CG LYS A 24 -13.681 -15.896 -28.153 1.00 1.34 C ATOM 385 CD LYS A 24 -14.295 -16.843 -29.170 1.00 0.30 C ATOM 386 CE LYS A 24 -15.748 -17.148 -28.841 1.00 32.20 C ATOM 387 NZ LYS A 24 -15.882 -17.893 -27.558 1.00 43.23 N ATOM 0 H LYS A 24 -14.991 -13.344 -26.656 1.00 1.32 H new ATOM 0 HA LYS A 24 -12.300 -13.955 -27.173 1.00 71.30 H new ATOM 0 HB2 LYS A 24 -14.939 -14.213 -28.550 1.00 44.22 H new ATOM 0 HB3 LYS A 24 -13.523 -14.309 -29.578 1.00 44.22 H new ATOM 0 HG2 LYS A 24 -12.617 -16.108 -28.053 1.00 1.34 H new ATOM 0 HG3 LYS A 24 -14.133 -16.067 -27.176 1.00 1.34 H new ATOM 0 HD2 LYS A 24 -14.231 -16.402 -30.165 1.00 0.30 H new ATOM 0 HD3 LYS A 24 -13.724 -17.771 -29.196 1.00 0.30 H new ATOM 0 HE2 LYS A 24 -16.310 -16.216 -28.780 1.00 32.20 H new ATOM 0 HE3 LYS A 24 -16.188 -17.733 -29.648 1.00 32.20 H new ATOM 0 HZ1 LYS A 24 -16.627 -18.613 -27.651 1.00 43.23 H new ATOM 0 HZ2 LYS A 24 -14.979 -18.357 -27.330 1.00 43.23 H new ATOM 0 HZ3 LYS A 24 -16.133 -17.231 -26.797 1.00 43.23 H new ATOM 401 N LYS A 25 -13.487 -11.323 -28.753 1.00 22.32 N ATOM 402 CA LYS A 25 -13.106 -10.150 -29.530 1.00 73.04 C ATOM 403 C LYS A 25 -12.215 -9.221 -28.712 1.00 54.44 C ATOM 404 O LYS A 25 -11.170 -8.774 -29.184 1.00 12.31 O ATOM 405 CB LYS A 25 -14.353 -9.397 -29.999 1.00 14.32 C ATOM 406 CG LYS A 25 -15.210 -10.186 -30.974 1.00 10.41 C ATOM 407 CD LYS A 25 -16.591 -9.571 -31.127 1.00 11.44 C ATOM 408 CE LYS A 25 -16.597 -8.467 -32.173 1.00 73.14 C ATOM 409 NZ LYS A 25 -16.230 -7.147 -31.590 1.00 35.11 N ATOM 0 H LYS A 25 -14.463 -11.334 -28.457 1.00 22.32 H new ATOM 0 HA LYS A 25 -12.544 -10.488 -30.401 1.00 73.04 H new ATOM 0 HB2 LYS A 25 -14.956 -9.133 -29.130 1.00 14.32 H new ATOM 0 HB3 LYS A 25 -14.047 -8.463 -30.471 1.00 14.32 H new ATOM 0 HG2 LYS A 25 -14.717 -10.223 -31.946 1.00 10.41 H new ATOM 0 HG3 LYS A 25 -15.305 -11.215 -30.626 1.00 10.41 H new ATOM 0 HD2 LYS A 25 -17.306 -10.344 -31.409 1.00 11.44 H new ATOM 0 HD3 LYS A 25 -16.919 -9.168 -30.169 1.00 11.44 H new ATOM 0 HE2 LYS A 25 -15.898 -8.719 -32.970 1.00 73.14 H new ATOM 0 HE3 LYS A 25 -17.586 -8.401 -32.626 1.00 73.14 H new ATOM 0 HZ1 LYS A 25 -16.718 -6.390 -32.110 1.00 35.11 H new ATOM 0 HZ2 LYS A 25 -16.514 -7.118 -30.590 1.00 35.11 H new ATOM 0 HZ3 LYS A 25 -15.202 -7.009 -31.662 1.00 35.11 H new ATOM 423 N ALA A 26 -12.635 -8.935 -27.484 1.00 74.13 N ATOM 424 CA ALA A 26 -11.874 -8.062 -26.600 1.00 65.10 C ATOM 425 C ALA A 26 -10.510 -8.663 -26.277 1.00 45.33 C ATOM 426 O ALA A 26 -9.537 -7.939 -26.061 1.00 71.03 O ATOM 427 CB ALA A 26 -12.652 -7.798 -25.320 1.00 13.11 C ATOM 0 H ALA A 26 -13.499 -9.296 -27.079 1.00 74.13 H new ATOM 0 HA ALA A 26 -11.713 -7.115 -27.116 1.00 65.10 H new ATOM 0 HB1 ALA A 26 -12.071 -7.144 -24.669 1.00 13.11 H new ATOM 0 HB2 ALA A 26 -13.600 -7.318 -25.563 1.00 13.11 H new ATOM 0 HB3 ALA A 26 -12.843 -8.742 -24.809 1.00 13.11 H new ATOM 433 N TYR A 27 -10.445 -9.989 -26.245 1.00 71.14 N ATOM 434 CA TYR A 27 -9.200 -10.687 -25.946 1.00 15.14 C ATOM 435 C TYR A 27 -8.227 -10.593 -27.117 1.00 14.21 C ATOM 436 O TYR A 27 -7.014 -10.511 -26.926 1.00 1.33 O ATOM 437 CB TYR A 27 -9.480 -12.154 -25.617 1.00 73.43 C ATOM 438 CG TYR A 27 -8.231 -12.998 -25.504 1.00 21.43 C ATOM 439 CD1 TYR A 27 -7.168 -12.597 -24.704 1.00 12.25 C ATOM 440 CD2 TYR A 27 -8.113 -14.197 -26.197 1.00 5.50 C ATOM 441 CE1 TYR A 27 -6.024 -13.364 -24.597 1.00 74.21 C ATOM 442 CE2 TYR A 27 -6.973 -14.971 -26.095 1.00 52.04 C ATOM 443 CZ TYR A 27 -5.932 -14.551 -25.294 1.00 41.45 C ATOM 444 OH TYR A 27 -4.795 -15.319 -25.192 1.00 4.52 O ATOM 0 H TYR A 27 -11.240 -10.603 -26.422 1.00 71.14 H new ATOM 0 HA TYR A 27 -8.744 -10.208 -25.080 1.00 15.14 H new ATOM 0 HB2 TYR A 27 -10.031 -12.208 -24.678 1.00 73.43 H new ATOM 0 HB3 TYR A 27 -10.124 -12.574 -26.390 1.00 73.43 H new ATOM 0 HD1 TYR A 27 -7.237 -11.669 -24.156 1.00 12.25 H new ATOM 0 HD2 TYR A 27 -8.926 -14.529 -26.826 1.00 5.50 H new ATOM 0 HE1 TYR A 27 -5.207 -13.036 -23.972 1.00 74.21 H new ATOM 0 HE2 TYR A 27 -6.898 -15.900 -26.640 1.00 52.04 H new ATOM 0 HH TYR A 27 -4.892 -16.123 -25.744 1.00 4.52 H new ATOM 454 N TYR A 28 -8.769 -10.605 -28.330 1.00 12.33 N ATOM 455 CA TYR A 28 -7.950 -10.523 -29.533 1.00 54.54 C ATOM 456 C TYR A 28 -7.445 -9.100 -29.752 1.00 41.23 C ATOM 457 O TYR A 28 -6.261 -8.884 -30.010 1.00 52.34 O ATOM 458 CB TYR A 28 -8.751 -10.985 -30.752 1.00 44.43 C ATOM 459 CG TYR A 28 -8.007 -10.828 -32.060 1.00 14.54 C ATOM 460 CD1 TYR A 28 -8.563 -10.116 -33.116 1.00 1.32 C ATOM 461 CD2 TYR A 28 -6.750 -11.392 -32.239 1.00 54.52 C ATOM 462 CE1 TYR A 28 -7.888 -9.970 -34.312 1.00 61.14 C ATOM 463 CE2 TYR A 28 -6.068 -11.250 -33.432 1.00 4.24 C ATOM 464 CZ TYR A 28 -6.641 -10.538 -34.465 1.00 65.52 C ATOM 465 OH TYR A 28 -5.964 -10.396 -35.655 1.00 72.31 O ATOM 0 H TYR A 28 -9.772 -10.671 -28.506 1.00 12.33 H new ATOM 0 HA TYR A 28 -7.089 -11.179 -29.402 1.00 54.54 H new ATOM 0 HB2 TYR A 28 -9.023 -12.032 -30.622 1.00 44.43 H new ATOM 0 HB3 TYR A 28 -9.681 -10.418 -30.802 1.00 44.43 H new ATOM 0 HD1 TYR A 28 -9.539 -9.669 -32.999 1.00 1.32 H new ATOM 0 HD2 TYR A 28 -6.299 -11.951 -31.432 1.00 54.52 H new ATOM 0 HE1 TYR A 28 -8.335 -9.414 -35.123 1.00 61.14 H new ATOM 0 HE2 TYR A 28 -5.091 -11.694 -33.555 1.00 4.24 H new ATOM 0 HH TYR A 28 -5.100 -10.855 -35.597 1.00 72.31 H new ATOM 475 N GLN A 29 -8.352 -8.134 -29.647 1.00 4.24 N ATOM 476 CA GLN A 29 -7.998 -6.731 -29.833 1.00 34.51 C ATOM 477 C GLN A 29 -6.936 -6.299 -28.827 1.00 73.44 C ATOM 478 O GLN A 29 -6.078 -5.470 -29.133 1.00 32.05 O ATOM 479 CB GLN A 29 -9.239 -5.848 -29.693 1.00 74.21 C ATOM 480 CG GLN A 29 -9.687 -5.651 -28.254 1.00 5.33 C ATOM 481 CD GLN A 29 -10.881 -4.724 -28.135 1.00 64.24 C ATOM 482 OE1 GLN A 29 -11.630 -4.532 -29.094 1.00 25.42 O ATOM 483 NE2 GLN A 29 -11.065 -4.144 -26.956 1.00 11.55 N ATOM 0 H GLN A 29 -9.336 -8.297 -29.434 1.00 4.24 H new ATOM 0 HA GLN A 29 -7.589 -6.615 -30.837 1.00 34.51 H new ATOM 0 HB2 GLN A 29 -9.034 -4.874 -30.137 1.00 74.21 H new ATOM 0 HB3 GLN A 29 -10.056 -6.292 -30.262 1.00 74.21 H new ATOM 0 HG2 GLN A 29 -9.939 -6.619 -27.820 1.00 5.33 H new ATOM 0 HG3 GLN A 29 -8.859 -5.247 -27.672 1.00 5.33 H new ATOM 0 HE21 GLN A 29 -10.419 -4.332 -26.189 1.00 11.55 H new ATOM 0 HE22 GLN A 29 -11.852 -3.510 -26.817 1.00 11.55 H new ATOM 492 N LEU A 30 -7.000 -6.866 -27.628 1.00 5.15 N ATOM 493 CA LEU A 30 -6.043 -6.539 -26.576 1.00 21.13 C ATOM 494 C LEU A 30 -4.680 -7.159 -26.867 1.00 50.25 C ATOM 495 O LEU A 30 -3.644 -6.523 -26.675 1.00 71.11 O ATOM 496 CB LEU A 30 -6.558 -7.027 -25.221 1.00 33.33 C ATOM 497 CG LEU A 30 -6.976 -5.940 -24.230 1.00 4.10 C ATOM 498 CD1 LEU A 30 -7.972 -4.987 -24.872 1.00 4.41 C ATOM 499 CD2 LEU A 30 -7.564 -6.562 -22.972 1.00 54.12 C ATOM 0 H LEU A 30 -7.704 -7.554 -27.359 1.00 5.15 H new ATOM 0 HA LEU A 30 -5.930 -5.455 -26.547 1.00 21.13 H new ATOM 0 HB2 LEU A 30 -7.413 -7.681 -25.394 1.00 33.33 H new ATOM 0 HB3 LEU A 30 -5.781 -7.634 -24.757 1.00 33.33 H new ATOM 0 HG LEU A 30 -6.090 -5.371 -23.949 1.00 4.10 H new ATOM 0 HD11 LEU A 30 -8.258 -4.220 -24.152 1.00 4.41 H new ATOM 0 HD12 LEU A 30 -7.515 -4.515 -25.742 1.00 4.41 H new ATOM 0 HD13 LEU A 30 -8.858 -5.541 -25.183 1.00 4.41 H new ATOM 0 HD21 LEU A 30 -7.856 -5.773 -22.278 1.00 54.12 H new ATOM 0 HD22 LEU A 30 -8.439 -7.156 -23.235 1.00 54.12 H new ATOM 0 HD23 LEU A 30 -6.819 -7.203 -22.500 1.00 54.12 H new ATOM 511 N ALA A 31 -4.689 -8.403 -27.335 1.00 12.03 N ATOM 512 CA ALA A 31 -3.454 -9.107 -27.657 1.00 74.03 C ATOM 513 C ALA A 31 -2.641 -8.342 -28.696 1.00 55.11 C ATOM 514 O ALA A 31 -1.411 -8.378 -28.687 1.00 21.41 O ATOM 515 CB ALA A 31 -3.762 -10.511 -28.155 1.00 32.50 C ATOM 0 H ALA A 31 -5.538 -8.944 -27.500 1.00 12.03 H new ATOM 0 HA ALA A 31 -2.857 -9.178 -26.747 1.00 74.03 H new ATOM 0 HB1 ALA A 31 -2.831 -11.026 -28.392 1.00 32.50 H new ATOM 0 HB2 ALA A 31 -4.295 -11.063 -27.381 1.00 32.50 H new ATOM 0 HB3 ALA A 31 -4.382 -10.452 -29.050 1.00 32.50 H new ATOM 521 N LYS A 32 -3.337 -7.649 -29.592 1.00 21.41 N ATOM 522 CA LYS A 32 -2.680 -6.874 -30.638 1.00 34.40 C ATOM 523 C LYS A 32 -1.977 -5.655 -30.051 1.00 53.54 C ATOM 524 O LYS A 32 -1.111 -5.057 -30.691 1.00 12.04 O ATOM 525 CB LYS A 32 -3.700 -6.432 -31.690 1.00 14.25 C ATOM 526 CG LYS A 32 -4.182 -7.562 -32.583 1.00 50.52 C ATOM 527 CD LYS A 32 -5.626 -7.357 -33.011 1.00 23.50 C ATOM 528 CE LYS A 32 -5.796 -6.069 -33.801 1.00 12.35 C ATOM 529 NZ LYS A 32 -4.881 -6.012 -34.974 1.00 1.32 N ATOM 0 H LYS A 32 -4.356 -7.609 -29.614 1.00 21.41 H new ATOM 0 HA LYS A 32 -1.932 -7.509 -31.111 1.00 34.40 H new ATOM 0 HB2 LYS A 32 -4.558 -5.987 -31.187 1.00 14.25 H new ATOM 0 HB3 LYS A 32 -3.255 -5.654 -32.311 1.00 14.25 H new ATOM 0 HG2 LYS A 32 -3.546 -7.626 -33.466 1.00 50.52 H new ATOM 0 HG3 LYS A 32 -4.090 -8.510 -32.053 1.00 50.52 H new ATOM 0 HD2 LYS A 32 -5.950 -8.203 -33.618 1.00 23.50 H new ATOM 0 HD3 LYS A 32 -6.268 -7.332 -32.130 1.00 23.50 H new ATOM 0 HE2 LYS A 32 -6.828 -5.986 -34.141 1.00 12.35 H new ATOM 0 HE3 LYS A 32 -5.605 -5.216 -33.150 1.00 12.35 H new ATOM 0 HZ1 LYS A 32 -5.162 -5.227 -35.596 1.00 1.32 H new ATOM 0 HZ2 LYS A 32 -3.906 -5.861 -34.646 1.00 1.32 H new ATOM 0 HZ3 LYS A 32 -4.935 -6.907 -35.500 1.00 1.32 H new ATOM 543 N LYS A 33 -2.354 -5.290 -28.830 1.00 72.44 N ATOM 544 CA LYS A 33 -1.758 -4.143 -28.155 1.00 74.54 C ATOM 545 C LYS A 33 -0.414 -4.514 -27.538 1.00 44.20 C ATOM 546 O LYS A 33 0.513 -3.703 -27.513 1.00 20.40 O ATOM 547 CB LYS A 33 -2.702 -3.617 -27.071 1.00 64.13 C ATOM 548 CG LYS A 33 -4.142 -3.477 -27.534 1.00 5.24 C ATOM 549 CD LYS A 33 -4.963 -2.651 -26.557 1.00 62.43 C ATOM 550 CE LYS A 33 -4.844 -1.163 -26.848 1.00 71.22 C ATOM 551 NZ LYS A 33 -5.952 -0.386 -26.226 1.00 70.43 N ATOM 0 H LYS A 33 -3.070 -5.773 -28.287 1.00 72.44 H new ATOM 0 HA LYS A 33 -1.594 -3.361 -28.896 1.00 74.54 H new ATOM 0 HB2 LYS A 33 -2.668 -4.290 -26.214 1.00 64.13 H new ATOM 0 HB3 LYS A 33 -2.343 -2.646 -26.728 1.00 64.13 H new ATOM 0 HG2 LYS A 33 -4.165 -3.008 -28.518 1.00 5.24 H new ATOM 0 HG3 LYS A 33 -4.589 -4.465 -27.641 1.00 5.24 H new ATOM 0 HD2 LYS A 33 -6.009 -2.951 -26.614 1.00 62.43 H new ATOM 0 HD3 LYS A 33 -4.629 -2.852 -25.539 1.00 62.43 H new ATOM 0 HE2 LYS A 33 -3.888 -0.795 -26.475 1.00 71.22 H new ATOM 0 HE3 LYS A 33 -4.848 -1.002 -27.926 1.00 71.22 H new ATOM 0 HZ1 LYS A 33 -5.835 0.623 -26.447 1.00 70.43 H new ATOM 0 HZ2 LYS A 33 -6.863 -0.719 -26.601 1.00 70.43 H new ATOM 0 HZ3 LYS A 33 -5.933 -0.519 -25.195 1.00 70.43 H new ATOM 565 N TYR A 34 -0.314 -5.742 -27.043 1.00 24.15 N ATOM 566 CA TYR A 34 0.918 -6.219 -26.425 1.00 31.15 C ATOM 567 C TYR A 34 1.601 -7.261 -27.305 1.00 45.31 C ATOM 568 O TYR A 34 2.326 -8.127 -26.814 1.00 43.21 O ATOM 569 CB TYR A 34 0.624 -6.814 -25.046 1.00 45.31 C ATOM 570 CG TYR A 34 -0.166 -5.892 -24.145 1.00 5.03 C ATOM 571 CD1 TYR A 34 0.471 -5.111 -23.188 1.00 31.24 C ATOM 572 CD2 TYR A 34 -1.548 -5.802 -24.249 1.00 60.53 C ATOM 573 CE1 TYR A 34 -0.247 -4.268 -22.361 1.00 63.02 C ATOM 574 CE2 TYR A 34 -2.273 -4.961 -23.428 1.00 75.13 C ATOM 575 CZ TYR A 34 -1.618 -4.196 -22.486 1.00 34.12 C ATOM 576 OH TYR A 34 -2.338 -3.358 -21.665 1.00 43.22 O ATOM 0 H TYR A 34 -1.071 -6.426 -27.057 1.00 24.15 H new ATOM 0 HA TYR A 34 1.590 -5.369 -26.311 1.00 31.15 H new ATOM 0 HB2 TYR A 34 0.073 -7.746 -25.172 1.00 45.31 H new ATOM 0 HB3 TYR A 34 1.567 -7.064 -24.559 1.00 45.31 H new ATOM 0 HD1 TYR A 34 1.545 -5.164 -23.089 1.00 31.24 H new ATOM 0 HD2 TYR A 34 -2.065 -6.400 -24.985 1.00 60.53 H new ATOM 0 HE1 TYR A 34 0.263 -3.669 -21.621 1.00 63.02 H new ATOM 0 HE2 TYR A 34 -3.347 -4.903 -23.523 1.00 75.13 H new ATOM 0 HH TYR A 34 -3.291 -3.425 -21.884 1.00 43.22 H new ATOM 586 N HIS A 35 1.366 -7.169 -28.610 1.00 75.51 N ATOM 587 CA HIS A 35 1.959 -8.103 -29.561 1.00 52.43 C ATOM 588 C HIS A 35 3.467 -8.202 -29.356 1.00 44.21 C ATOM 589 O HIS A 35 4.107 -7.295 -28.822 1.00 34.32 O ATOM 590 CB HIS A 35 1.655 -7.665 -30.994 1.00 40.14 C ATOM 591 CG HIS A 35 1.904 -6.209 -31.241 1.00 55.34 C ATOM 592 ND1 HIS A 35 2.802 -5.464 -30.508 1.00 2.44 N ATOM 593 CD2 HIS A 35 1.366 -5.360 -32.149 1.00 31.33 C ATOM 594 CE1 HIS A 35 2.805 -4.219 -30.952 1.00 24.42 C ATOM 595 NE2 HIS A 35 1.943 -4.130 -31.948 1.00 33.41 N ATOM 0 H HIS A 35 0.770 -6.458 -29.033 1.00 75.51 H new ATOM 0 HA HIS A 35 1.521 -9.086 -29.389 1.00 52.43 H new ATOM 0 HB2 HIS A 35 2.265 -8.251 -31.681 1.00 40.14 H new ATOM 0 HB3 HIS A 35 0.613 -7.891 -31.221 1.00 40.14 H new ATOM 0 HD1 HIS A 35 3.375 -5.818 -29.742 1.00 2.44 H new ATOM 0 HD2 HIS A 35 0.622 -5.605 -32.893 1.00 31.33 H new ATOM 0 HE1 HIS A 35 3.410 -3.412 -30.566 1.00 24.42 H new ATOM 603 N PRO A 36 4.051 -9.329 -29.789 1.00 43.13 N ATOM 604 CA PRO A 36 5.491 -9.573 -29.664 1.00 22.34 C ATOM 605 C PRO A 36 6.314 -8.678 -30.584 1.00 13.44 C ATOM 606 O PRO A 36 7.538 -8.611 -30.469 1.00 73.11 O ATOM 607 CB PRO A 36 5.639 -11.041 -30.074 1.00 1.42 C ATOM 608 CG PRO A 36 4.472 -11.306 -30.960 1.00 54.44 C ATOM 609 CD PRO A 36 3.351 -10.451 -30.436 1.00 32.43 C ATOM 0 HA PRO A 36 5.854 -9.357 -28.659 1.00 22.34 H new ATOM 0 HB2 PRO A 36 6.580 -11.213 -30.597 1.00 1.42 H new ATOM 0 HB3 PRO A 36 5.633 -11.698 -29.204 1.00 1.42 H new ATOM 0 HG2 PRO A 36 4.703 -11.055 -31.995 1.00 54.44 H new ATOM 0 HG3 PRO A 36 4.199 -12.361 -30.941 1.00 54.44 H new ATOM 0 HD2 PRO A 36 2.698 -10.108 -31.239 1.00 32.43 H new ATOM 0 HD3 PRO A 36 2.727 -10.997 -29.729 1.00 32.43 H new ATOM 617 N ASP A 37 5.634 -7.990 -31.495 1.00 20.22 N ATOM 618 CA ASP A 37 6.302 -7.097 -32.434 1.00 1.32 C ATOM 619 C ASP A 37 7.136 -6.055 -31.694 1.00 30.53 C ATOM 620 O ASP A 37 8.150 -5.578 -32.205 1.00 13.24 O ATOM 621 CB ASP A 37 5.275 -6.403 -33.329 1.00 52.44 C ATOM 622 CG ASP A 37 5.847 -6.023 -34.681 1.00 62.50 C ATOM 623 OD1 ASP A 37 6.701 -5.113 -34.729 1.00 75.22 O ATOM 624 OD2 ASP A 37 5.441 -6.636 -35.691 1.00 23.42 O ATOM 0 H ASP A 37 4.621 -8.034 -31.603 1.00 20.22 H new ATOM 0 HA ASP A 37 6.968 -7.696 -33.055 1.00 1.32 H new ATOM 0 HB2 ASP A 37 4.418 -7.062 -33.472 1.00 52.44 H new ATOM 0 HB3 ASP A 37 4.908 -5.507 -32.828 1.00 52.44 H new ATOM 629 N THR A 38 6.702 -5.706 -30.487 1.00 20.25 N ATOM 630 CA THR A 38 7.406 -4.720 -29.677 1.00 24.22 C ATOM 631 C THR A 38 8.063 -5.372 -28.465 1.00 44.24 C ATOM 632 O THR A 38 8.542 -4.686 -27.564 1.00 3.35 O ATOM 633 CB THR A 38 6.457 -3.607 -29.195 1.00 71.11 C ATOM 634 OG1 THR A 38 5.364 -4.177 -28.467 1.00 35.10 O ATOM 635 CG2 THR A 38 5.925 -2.803 -30.372 1.00 10.24 C ATOM 0 H THR A 38 5.866 -6.092 -30.049 1.00 20.25 H new ATOM 0 HA THR A 38 8.175 -4.281 -30.312 1.00 24.22 H new ATOM 0 HB THR A 38 7.018 -2.938 -28.542 1.00 71.11 H new ATOM 0 HG1 THR A 38 4.766 -3.463 -28.163 1.00 35.10 H new ATOM 0 HG21 THR A 38 5.257 -2.023 -30.007 1.00 10.24 H new ATOM 0 HG22 THR A 38 6.758 -2.347 -30.907 1.00 10.24 H new ATOM 0 HG23 THR A 38 5.379 -3.463 -31.046 1.00 10.24 H new ATOM 643 N ASN A 39 8.083 -6.701 -28.452 1.00 11.42 N ATOM 644 CA ASN A 39 8.682 -7.445 -27.350 1.00 30.00 C ATOM 645 C ASN A 39 10.168 -7.683 -27.599 1.00 3.33 C ATOM 646 O ASN A 39 10.900 -8.103 -26.702 1.00 70.22 O ATOM 647 CB ASN A 39 7.965 -8.783 -27.162 1.00 34.25 C ATOM 648 CG ASN A 39 6.664 -8.639 -26.396 1.00 34.04 C ATOM 649 OD1 ASN A 39 6.370 -9.425 -25.495 1.00 5.04 O ATOM 650 ND2 ASN A 39 5.876 -7.631 -26.752 1.00 41.10 N ATOM 0 H ASN A 39 7.692 -7.284 -29.192 1.00 11.42 H new ATOM 0 HA ASN A 39 8.574 -6.851 -26.442 1.00 30.00 H new ATOM 0 HB2 ASN A 39 7.762 -9.224 -28.138 1.00 34.25 H new ATOM 0 HB3 ASN A 39 8.622 -9.473 -26.631 1.00 34.25 H new ATOM 0 HD21 ASN A 39 4.988 -7.484 -26.273 1.00 41.10 H new ATOM 0 HD22 ASN A 39 6.159 -7.003 -27.505 1.00 41.10 H new ATOM 657 N LYS A 40 10.609 -7.410 -28.822 1.00 51.12 N ATOM 658 CA LYS A 40 12.008 -7.592 -29.190 1.00 51.54 C ATOM 659 C LYS A 40 12.925 -6.841 -28.230 1.00 21.11 C ATOM 660 O LYS A 40 13.978 -7.346 -27.841 1.00 4.23 O ATOM 661 CB LYS A 40 12.247 -7.108 -30.623 1.00 34.24 C ATOM 662 CG LYS A 40 11.323 -7.751 -31.643 1.00 42.32 C ATOM 663 CD LYS A 40 11.590 -9.241 -31.776 1.00 40.45 C ATOM 664 CE LYS A 40 10.301 -10.022 -31.982 1.00 10.54 C ATOM 665 NZ LYS A 40 9.828 -9.951 -33.392 1.00 23.20 N ATOM 0 H LYS A 40 10.017 -7.061 -29.576 1.00 51.12 H new ATOM 0 HA LYS A 40 12.238 -8.656 -29.128 1.00 51.54 H new ATOM 0 HB2 LYS A 40 12.118 -6.026 -30.659 1.00 34.24 H new ATOM 0 HB3 LYS A 40 13.281 -7.315 -30.900 1.00 34.24 H new ATOM 0 HG2 LYS A 40 10.286 -7.591 -31.348 1.00 42.32 H new ATOM 0 HG3 LYS A 40 11.457 -7.269 -32.611 1.00 42.32 H new ATOM 0 HD2 LYS A 40 12.262 -9.418 -32.616 1.00 40.45 H new ATOM 0 HD3 LYS A 40 12.097 -9.602 -30.881 1.00 40.45 H new ATOM 0 HE2 LYS A 40 10.460 -11.064 -31.704 1.00 10.54 H new ATOM 0 HE3 LYS A 40 9.529 -9.630 -31.320 1.00 10.54 H new ATOM 0 HZ1 LYS A 40 8.948 -10.496 -33.491 1.00 23.20 H new ATOM 0 HZ2 LYS A 40 9.652 -8.959 -33.650 1.00 23.20 H new ATOM 0 HZ3 LYS A 40 10.554 -10.349 -34.022 1.00 23.20 H new ATOM 679 N ASP A 41 12.517 -5.635 -27.851 1.00 24.02 N ATOM 680 CA ASP A 41 13.302 -4.816 -26.933 1.00 75.24 C ATOM 681 C ASP A 41 12.518 -4.529 -25.656 1.00 40.25 C ATOM 682 O ASP A 41 12.916 -3.690 -24.848 1.00 13.21 O ATOM 683 CB ASP A 41 13.705 -3.503 -27.606 1.00 13.03 C ATOM 684 CG ASP A 41 14.756 -3.701 -28.680 1.00 72.41 C ATOM 685 OD1 ASP A 41 14.850 -2.844 -29.583 1.00 72.21 O ATOM 686 OD2 ASP A 41 15.484 -4.714 -28.618 1.00 71.44 O ATOM 0 H ASP A 41 11.648 -5.203 -28.165 1.00 24.02 H new ATOM 0 HA ASP A 41 14.202 -5.370 -26.668 1.00 75.24 H new ATOM 0 HB2 ASP A 41 12.823 -3.038 -28.046 1.00 13.03 H new ATOM 0 HB3 ASP A 41 14.086 -2.814 -26.852 1.00 13.03 H new ATOM 691 N ASP A 42 11.403 -5.229 -25.482 1.00 72.35 N ATOM 692 CA ASP A 42 10.563 -5.049 -24.304 1.00 30.51 C ATOM 693 C ASP A 42 10.240 -6.393 -23.657 1.00 10.32 C ATOM 694 O ASP A 42 9.179 -6.977 -23.878 1.00 63.14 O ATOM 695 CB ASP A 42 9.269 -4.326 -24.679 1.00 51.31 C ATOM 696 CG ASP A 42 8.739 -3.464 -23.550 1.00 31.33 C ATOM 697 OD1 ASP A 42 9.068 -3.751 -22.379 1.00 65.05 O ATOM 698 OD2 ASP A 42 7.995 -2.503 -23.836 1.00 24.00 O ATOM 0 H ASP A 42 11.060 -5.927 -26.142 1.00 72.35 H new ATOM 0 HA ASP A 42 11.113 -4.442 -23.585 1.00 30.51 H new ATOM 0 HB2 ASP A 42 9.445 -3.703 -25.556 1.00 51.31 H new ATOM 0 HB3 ASP A 42 8.513 -5.061 -24.957 1.00 51.31 H new ATOM 703 N PRO A 43 11.176 -6.896 -22.838 1.00 52.31 N ATOM 704 CA PRO A 43 11.014 -8.176 -22.143 1.00 13.14 C ATOM 705 C PRO A 43 9.952 -8.112 -21.050 1.00 2.43 C ATOM 706 O PRO A 43 9.589 -9.130 -20.462 1.00 33.42 O ATOM 707 CB PRO A 43 12.395 -8.425 -21.532 1.00 61.42 C ATOM 708 CG PRO A 43 12.993 -7.069 -21.381 1.00 31.21 C ATOM 709 CD PRO A 43 12.464 -6.253 -22.528 1.00 31.22 C ATOM 0 HA PRO A 43 10.682 -8.966 -22.816 1.00 13.14 H new ATOM 0 HB2 PRO A 43 12.317 -8.932 -20.570 1.00 61.42 H new ATOM 0 HB3 PRO A 43 13.005 -9.057 -22.177 1.00 61.42 H new ATOM 0 HG2 PRO A 43 12.716 -6.624 -20.425 1.00 31.21 H new ATOM 0 HG3 PRO A 43 14.082 -7.118 -21.406 1.00 31.21 H new ATOM 0 HD2 PRO A 43 12.335 -5.207 -22.251 1.00 31.22 H new ATOM 0 HD3 PRO A 43 13.140 -6.275 -23.383 1.00 31.22 H new ATOM 717 N LYS A 44 9.457 -6.908 -20.782 1.00 45.20 N ATOM 718 CA LYS A 44 8.436 -6.710 -19.761 1.00 12.32 C ATOM 719 C LYS A 44 7.039 -6.759 -20.372 1.00 20.22 C ATOM 720 O LYS A 44 6.052 -6.976 -19.670 1.00 13.51 O ATOM 721 CB LYS A 44 8.647 -5.370 -19.052 1.00 52.21 C ATOM 722 CG LYS A 44 9.447 -5.481 -17.766 1.00 33.52 C ATOM 723 CD LYS A 44 9.915 -4.120 -17.281 1.00 4.04 C ATOM 724 CE LYS A 44 11.124 -4.240 -16.365 1.00 63.25 C ATOM 725 NZ LYS A 44 12.385 -4.436 -17.134 1.00 54.32 N ATOM 0 H LYS A 44 9.747 -6.054 -21.259 1.00 45.20 H new ATOM 0 HA LYS A 44 8.524 -7.517 -19.034 1.00 12.32 H new ATOM 0 HB2 LYS A 44 9.158 -4.686 -19.730 1.00 52.21 H new ATOM 0 HB3 LYS A 44 7.675 -4.930 -18.828 1.00 52.21 H new ATOM 0 HG2 LYS A 44 8.836 -5.952 -16.996 1.00 33.52 H new ATOM 0 HG3 LYS A 44 10.310 -6.127 -17.928 1.00 33.52 H new ATOM 0 HD2 LYS A 44 10.167 -3.494 -18.137 1.00 4.04 H new ATOM 0 HD3 LYS A 44 9.103 -3.623 -16.750 1.00 4.04 H new ATOM 0 HE2 LYS A 44 11.207 -3.341 -15.754 1.00 63.25 H new ATOM 0 HE3 LYS A 44 10.981 -5.078 -15.682 1.00 63.25 H new ATOM 0 HZ1 LYS A 44 13.185 -4.513 -16.474 1.00 54.32 H new ATOM 0 HZ2 LYS A 44 12.316 -5.307 -17.698 1.00 54.32 H new ATOM 0 HZ3 LYS A 44 12.535 -3.625 -17.767 1.00 54.32 H new ATOM 739 N ALA A 45 6.964 -6.559 -21.683 1.00 44.35 N ATOM 740 CA ALA A 45 5.689 -6.584 -22.389 1.00 21.12 C ATOM 741 C ALA A 45 5.115 -7.996 -22.434 1.00 60.14 C ATOM 742 O ALA A 45 3.905 -8.190 -22.313 1.00 62.14 O ATOM 743 CB ALA A 45 5.854 -6.034 -23.798 1.00 1.33 C ATOM 0 H ALA A 45 7.772 -6.378 -22.279 1.00 44.35 H new ATOM 0 HA ALA A 45 4.988 -5.952 -21.844 1.00 21.12 H new ATOM 0 HB1 ALA A 45 4.894 -6.059 -24.313 1.00 1.33 H new ATOM 0 HB2 ALA A 45 6.212 -5.006 -23.748 1.00 1.33 H new ATOM 0 HB3 ALA A 45 6.575 -6.643 -24.344 1.00 1.33 H new ATOM 749 N LYS A 46 5.990 -8.980 -22.610 1.00 63.24 N ATOM 750 CA LYS A 46 5.571 -10.375 -22.672 1.00 25.54 C ATOM 751 C LYS A 46 4.809 -10.770 -21.411 1.00 73.41 C ATOM 752 O LYS A 46 3.904 -11.603 -21.458 1.00 52.13 O ATOM 753 CB LYS A 46 6.788 -11.287 -22.851 1.00 75.03 C ATOM 754 CG LYS A 46 7.616 -11.452 -21.589 1.00 41.40 C ATOM 755 CD LYS A 46 8.884 -12.245 -21.854 1.00 64.51 C ATOM 756 CE LYS A 46 9.913 -11.417 -22.608 1.00 60.03 C ATOM 757 NZ LYS A 46 10.886 -12.274 -23.341 1.00 50.10 N ATOM 0 H LYS A 46 6.995 -8.837 -22.712 1.00 63.24 H new ATOM 0 HA LYS A 46 4.907 -10.492 -23.529 1.00 25.54 H new ATOM 0 HB2 LYS A 46 6.450 -12.268 -23.184 1.00 75.03 H new ATOM 0 HB3 LYS A 46 7.421 -10.883 -23.641 1.00 75.03 H new ATOM 0 HG2 LYS A 46 7.876 -10.471 -21.192 1.00 41.40 H new ATOM 0 HG3 LYS A 46 7.023 -11.957 -20.827 1.00 41.40 H new ATOM 0 HD2 LYS A 46 9.309 -12.581 -20.908 1.00 64.51 H new ATOM 0 HD3 LYS A 46 8.642 -13.138 -22.430 1.00 64.51 H new ATOM 0 HE2 LYS A 46 9.404 -10.760 -23.314 1.00 60.03 H new ATOM 0 HE3 LYS A 46 10.449 -10.777 -21.907 1.00 60.03 H new ATOM 0 HZ1 LYS A 46 11.570 -11.672 -23.842 1.00 50.10 H new ATOM 0 HZ2 LYS A 46 11.390 -12.883 -22.665 1.00 50.10 H new ATOM 0 HZ3 LYS A 46 10.378 -12.866 -24.028 1.00 50.10 H new ATOM 771 N GLU A 47 5.180 -10.166 -20.287 1.00 32.45 N ATOM 772 CA GLU A 47 4.529 -10.456 -19.014 1.00 50.21 C ATOM 773 C GLU A 47 3.107 -9.904 -18.993 1.00 14.54 C ATOM 774 O GLU A 47 2.187 -10.543 -18.481 1.00 63.31 O ATOM 775 CB GLU A 47 5.336 -9.863 -17.857 1.00 34.01 C ATOM 776 CG GLU A 47 4.634 -9.962 -16.513 1.00 1.43 C ATOM 777 CD GLU A 47 4.433 -11.396 -16.063 1.00 41.23 C ATOM 778 OE1 GLU A 47 5.438 -12.129 -15.954 1.00 62.25 O ATOM 779 OE2 GLU A 47 3.272 -11.785 -15.821 1.00 33.01 O ATOM 0 H GLU A 47 5.927 -9.474 -20.231 1.00 32.45 H new ATOM 0 HA GLU A 47 4.482 -11.539 -18.897 1.00 50.21 H new ATOM 0 HB2 GLU A 47 6.296 -10.375 -17.795 1.00 34.01 H new ATOM 0 HB3 GLU A 47 5.547 -8.815 -18.071 1.00 34.01 H new ATOM 0 HG2 GLU A 47 5.217 -9.428 -15.763 1.00 1.43 H new ATOM 0 HG3 GLU A 47 3.665 -9.466 -16.576 1.00 1.43 H new ATOM 786 N LYS A 48 2.933 -8.710 -19.551 1.00 60.51 N ATOM 787 CA LYS A 48 1.624 -8.070 -19.598 1.00 31.22 C ATOM 788 C LYS A 48 0.704 -8.783 -20.584 1.00 23.30 C ATOM 789 O LYS A 48 -0.493 -8.928 -20.338 1.00 33.31 O ATOM 790 CB LYS A 48 1.767 -6.598 -19.991 1.00 21.04 C ATOM 791 CG LYS A 48 2.903 -5.886 -19.276 1.00 54.44 C ATOM 792 CD LYS A 48 2.757 -5.978 -17.767 1.00 13.33 C ATOM 793 CE LYS A 48 3.933 -5.330 -17.052 1.00 61.15 C ATOM 794 NZ LYS A 48 4.157 -5.921 -15.704 1.00 14.21 N ATOM 0 H LYS A 48 3.683 -8.166 -19.977 1.00 60.51 H new ATOM 0 HA LYS A 48 1.181 -8.133 -18.604 1.00 31.22 H new ATOM 0 HB2 LYS A 48 1.928 -6.532 -21.067 1.00 21.04 H new ATOM 0 HB3 LYS A 48 0.832 -6.080 -19.776 1.00 21.04 H new ATOM 0 HG2 LYS A 48 3.855 -6.323 -19.578 1.00 54.44 H new ATOM 0 HG3 LYS A 48 2.924 -4.839 -19.577 1.00 54.44 H new ATOM 0 HD2 LYS A 48 1.831 -5.492 -17.460 1.00 13.33 H new ATOM 0 HD3 LYS A 48 2.682 -7.024 -17.471 1.00 13.33 H new ATOM 0 HE2 LYS A 48 4.834 -5.448 -17.654 1.00 61.15 H new ATOM 0 HE3 LYS A 48 3.753 -4.259 -16.954 1.00 61.15 H new ATOM 0 HZ1 LYS A 48 4.967 -5.452 -15.250 1.00 14.21 H new ATOM 0 HZ2 LYS A 48 3.307 -5.786 -15.120 1.00 14.21 H new ATOM 0 HZ3 LYS A 48 4.354 -6.938 -15.799 1.00 14.21 H new ATOM 808 N PHE A 49 1.272 -9.228 -21.700 1.00 42.12 N ATOM 809 CA PHE A 49 0.503 -9.927 -22.723 1.00 41.43 C ATOM 810 C PHE A 49 -0.020 -11.259 -22.195 1.00 14.00 C ATOM 811 O PHE A 49 -1.134 -11.672 -22.517 1.00 34.10 O ATOM 812 CB PHE A 49 1.363 -10.161 -23.967 1.00 1.31 C ATOM 813 CG PHE A 49 0.724 -11.073 -24.974 1.00 62.25 C ATOM 814 CD1 PHE A 49 -0.054 -10.559 -25.999 1.00 70.10 C ATOM 815 CD2 PHE A 49 0.902 -12.445 -24.897 1.00 34.23 C ATOM 816 CE1 PHE A 49 -0.643 -11.396 -26.928 1.00 51.01 C ATOM 817 CE2 PHE A 49 0.315 -13.287 -25.823 1.00 44.10 C ATOM 818 CZ PHE A 49 -0.459 -12.762 -26.839 1.00 42.22 C ATOM 0 H PHE A 49 2.262 -9.117 -21.919 1.00 42.12 H new ATOM 0 HA PHE A 49 -0.349 -9.303 -22.991 1.00 41.43 H new ATOM 0 HB2 PHE A 49 1.573 -9.201 -24.439 1.00 1.31 H new ATOM 0 HB3 PHE A 49 2.321 -10.583 -23.663 1.00 1.31 H new ATOM 0 HD1 PHE A 49 -0.202 -9.492 -26.073 1.00 70.10 H new ATOM 0 HD2 PHE A 49 1.506 -12.861 -24.105 1.00 34.23 H new ATOM 0 HE1 PHE A 49 -1.246 -10.982 -27.723 1.00 51.01 H new ATOM 0 HE2 PHE A 49 0.462 -14.355 -25.752 1.00 44.10 H new ATOM 0 HZ PHE A 49 -0.920 -13.418 -27.563 1.00 42.22 H new ATOM 828 N SER A 50 0.792 -11.927 -21.382 1.00 41.22 N ATOM 829 CA SER A 50 0.414 -13.215 -20.812 1.00 52.42 C ATOM 830 C SER A 50 -0.820 -13.075 -19.926 1.00 10.03 C ATOM 831 O SER A 50 -1.640 -13.988 -19.838 1.00 71.31 O ATOM 832 CB SER A 50 1.574 -13.798 -20.003 1.00 74.52 C ATOM 833 OG SER A 50 1.362 -15.172 -19.728 1.00 25.44 O ATOM 0 H SER A 50 1.716 -11.598 -21.103 1.00 41.22 H new ATOM 0 HA SER A 50 0.176 -13.893 -21.632 1.00 52.42 H new ATOM 0 HB2 SER A 50 2.506 -13.674 -20.555 1.00 74.52 H new ATOM 0 HB3 SER A 50 1.682 -13.249 -19.068 1.00 74.52 H new ATOM 0 HG SER A 50 2.117 -15.523 -19.211 1.00 25.44 H new ATOM 839 N GLN A 51 -0.943 -11.925 -19.271 1.00 32.12 N ATOM 840 CA GLN A 51 -2.076 -11.666 -18.390 1.00 51.43 C ATOM 841 C GLN A 51 -3.390 -11.722 -19.163 1.00 20.33 C ATOM 842 O GLN A 51 -4.443 -12.022 -18.597 1.00 45.50 O ATOM 843 CB GLN A 51 -1.924 -10.300 -17.718 1.00 55.23 C ATOM 844 CG GLN A 51 -0.834 -10.260 -16.660 1.00 32.43 C ATOM 845 CD GLN A 51 -0.949 -11.395 -15.661 1.00 12.12 C ATOM 846 OE1 GLN A 51 -2.046 -11.876 -15.374 1.00 62.55 O ATOM 847 NE2 GLN A 51 0.185 -11.829 -15.124 1.00 42.13 N ATOM 0 H GLN A 51 -0.273 -11.159 -19.334 1.00 32.12 H new ATOM 0 HA GLN A 51 -2.093 -12.441 -17.623 1.00 51.43 H new ATOM 0 HB2 GLN A 51 -1.706 -9.552 -18.480 1.00 55.23 H new ATOM 0 HB3 GLN A 51 -2.873 -10.022 -17.260 1.00 55.23 H new ATOM 0 HG2 GLN A 51 0.141 -10.306 -17.146 1.00 32.43 H new ATOM 0 HG3 GLN A 51 -0.882 -9.309 -16.130 1.00 32.43 H new ATOM 0 HE21 GLN A 51 1.072 -11.402 -15.391 1.00 42.13 H new ATOM 0 HE22 GLN A 51 0.169 -12.590 -14.445 1.00 42.13 H new ATOM 856 N LEU A 52 -3.322 -11.433 -20.457 1.00 72.14 N ATOM 857 CA LEU A 52 -4.507 -11.451 -21.308 1.00 40.24 C ATOM 858 C LEU A 52 -5.031 -12.873 -21.482 1.00 55.51 C ATOM 859 O LEU A 52 -6.226 -13.127 -21.330 1.00 23.04 O ATOM 860 CB LEU A 52 -4.187 -10.843 -22.675 1.00 44.30 C ATOM 861 CG LEU A 52 -3.567 -9.445 -22.659 1.00 63.11 C ATOM 862 CD1 LEU A 52 -2.970 -9.110 -24.017 1.00 72.24 C ATOM 863 CD2 LEU A 52 -4.604 -8.406 -22.259 1.00 51.03 C ATOM 0 H LEU A 52 -2.459 -11.183 -20.941 1.00 72.14 H new ATOM 0 HA LEU A 52 -5.280 -10.855 -20.824 1.00 40.24 H new ATOM 0 HB2 LEU A 52 -3.507 -11.514 -23.199 1.00 44.30 H new ATOM 0 HB3 LEU A 52 -5.107 -10.804 -23.257 1.00 44.30 H new ATOM 0 HG LEU A 52 -2.766 -9.432 -21.920 1.00 63.11 H new ATOM 0 HD11 LEU A 52 -2.534 -8.112 -23.986 1.00 72.24 H new ATOM 0 HD12 LEU A 52 -2.196 -9.837 -24.264 1.00 72.24 H new ATOM 0 HD13 LEU A 52 -3.752 -9.141 -24.776 1.00 72.24 H new ATOM 0 HD21 LEU A 52 -4.145 -7.417 -22.253 1.00 51.03 H new ATOM 0 HD22 LEU A 52 -5.427 -8.420 -22.973 1.00 51.03 H new ATOM 0 HD23 LEU A 52 -4.984 -8.636 -21.264 1.00 51.03 H new ATOM 875 N ALA A 53 -4.130 -13.796 -21.800 1.00 2.32 N ATOM 876 CA ALA A 53 -4.501 -15.192 -21.990 1.00 23.42 C ATOM 877 C ALA A 53 -4.897 -15.840 -20.667 1.00 54.23 C ATOM 878 O ALA A 53 -5.762 -16.714 -20.629 1.00 73.22 O ATOM 879 CB ALA A 53 -3.355 -15.960 -22.633 1.00 31.13 C ATOM 0 H ALA A 53 -3.137 -13.602 -21.932 1.00 2.32 H new ATOM 0 HA ALA A 53 -5.365 -15.225 -22.654 1.00 23.42 H new ATOM 0 HB1 ALA A 53 -3.646 -17.002 -22.769 1.00 31.13 H new ATOM 0 HB2 ALA A 53 -3.120 -15.519 -23.602 1.00 31.13 H new ATOM 0 HB3 ALA A 53 -2.477 -15.910 -21.989 1.00 31.13 H new ATOM 885 N GLU A 54 -4.259 -15.405 -19.586 1.00 2.34 N ATOM 886 CA GLU A 54 -4.545 -15.944 -18.262 1.00 32.25 C ATOM 887 C GLU A 54 -5.974 -15.618 -17.838 1.00 55.44 C ATOM 888 O GLU A 54 -6.725 -16.497 -17.417 1.00 23.31 O ATOM 889 CB GLU A 54 -3.558 -15.386 -17.235 1.00 25.45 C ATOM 890 CG GLU A 54 -2.229 -16.123 -17.205 1.00 70.21 C ATOM 891 CD GLU A 54 -1.539 -16.028 -15.858 1.00 42.03 C ATOM 892 OE1 GLU A 54 -1.990 -15.223 -15.017 1.00 33.34 O ATOM 893 OE2 GLU A 54 -0.548 -16.757 -15.646 1.00 63.10 O ATOM 0 H GLU A 54 -3.541 -14.681 -19.601 1.00 2.34 H new ATOM 0 HA GLU A 54 -4.436 -17.028 -18.309 1.00 32.25 H new ATOM 0 HB2 GLU A 54 -3.376 -14.334 -17.453 1.00 25.45 H new ATOM 0 HB3 GLU A 54 -4.012 -15.432 -16.245 1.00 25.45 H new ATOM 0 HG2 GLU A 54 -2.394 -17.172 -17.451 1.00 70.21 H new ATOM 0 HG3 GLU A 54 -1.574 -15.714 -17.974 1.00 70.21 H new ATOM 900 N ALA A 55 -6.343 -14.346 -17.954 1.00 35.13 N ATOM 901 CA ALA A 55 -7.682 -13.903 -17.585 1.00 52.40 C ATOM 902 C ALA A 55 -8.719 -14.394 -18.589 1.00 52.02 C ATOM 903 O ALA A 55 -9.807 -14.829 -18.210 1.00 61.14 O ATOM 904 CB ALA A 55 -7.725 -12.385 -17.479 1.00 20.43 C ATOM 0 H ALA A 55 -5.734 -13.605 -18.300 1.00 35.13 H new ATOM 0 HA ALA A 55 -7.925 -14.332 -16.613 1.00 52.40 H new ATOM 0 HB1 ALA A 55 -8.731 -12.068 -17.203 1.00 20.43 H new ATOM 0 HB2 ALA A 55 -7.018 -12.053 -16.718 1.00 20.43 H new ATOM 0 HB3 ALA A 55 -7.457 -11.945 -18.440 1.00 20.43 H new ATOM 910 N TYR A 56 -8.376 -14.321 -19.870 1.00 51.14 N ATOM 911 CA TYR A 56 -9.279 -14.756 -20.929 1.00 52.54 C ATOM 912 C TYR A 56 -9.625 -16.234 -20.778 1.00 50.30 C ATOM 913 O TYR A 56 -10.688 -16.680 -21.209 1.00 24.44 O ATOM 914 CB TYR A 56 -8.649 -14.506 -22.300 1.00 43.45 C ATOM 915 CG TYR A 56 -9.326 -15.257 -23.424 1.00 51.34 C ATOM 916 CD1 TYR A 56 -10.467 -14.751 -24.035 1.00 51.03 C ATOM 917 CD2 TYR A 56 -8.826 -16.472 -23.875 1.00 31.22 C ATOM 918 CE1 TYR A 56 -11.090 -15.434 -25.062 1.00 41.11 C ATOM 919 CE2 TYR A 56 -9.441 -17.161 -24.902 1.00 34.22 C ATOM 920 CZ TYR A 56 -10.573 -16.638 -25.492 1.00 70.21 C ATOM 921 OH TYR A 56 -11.190 -17.322 -26.515 1.00 23.35 O ATOM 0 H TYR A 56 -7.479 -13.965 -20.200 1.00 51.14 H new ATOM 0 HA TYR A 56 -10.198 -14.176 -20.848 1.00 52.54 H new ATOM 0 HB2 TYR A 56 -8.682 -13.438 -22.516 1.00 43.45 H new ATOM 0 HB3 TYR A 56 -7.598 -14.792 -22.265 1.00 43.45 H new ATOM 0 HD1 TYR A 56 -10.874 -13.808 -23.701 1.00 51.03 H new ATOM 0 HD2 TYR A 56 -7.941 -16.885 -23.414 1.00 31.22 H new ATOM 0 HE1 TYR A 56 -11.977 -15.027 -25.525 1.00 41.11 H new ATOM 0 HE2 TYR A 56 -9.038 -18.104 -25.241 1.00 34.22 H new ATOM 0 HH TYR A 56 -10.699 -18.151 -26.697 1.00 23.35 H new ATOM 931 N GLU A 57 -8.719 -16.987 -20.162 1.00 40.31 N ATOM 932 CA GLU A 57 -8.928 -18.415 -19.954 1.00 3.34 C ATOM 933 C GLU A 57 -10.159 -18.664 -19.087 1.00 4.22 C ATOM 934 O GLU A 57 -10.966 -19.548 -19.374 1.00 42.34 O ATOM 935 CB GLU A 57 -7.695 -19.043 -19.300 1.00 42.14 C ATOM 936 CG GLU A 57 -6.810 -19.803 -20.275 1.00 12.53 C ATOM 937 CD GLU A 57 -5.959 -20.855 -19.591 1.00 72.11 C ATOM 938 OE1 GLU A 57 -5.213 -20.498 -18.656 1.00 2.34 O ATOM 939 OE2 GLU A 57 -6.039 -22.035 -19.991 1.00 60.13 O ATOM 0 H GLU A 57 -7.834 -16.632 -19.799 1.00 40.31 H new ATOM 0 HA GLU A 57 -9.090 -18.878 -20.927 1.00 3.34 H new ATOM 0 HB2 GLU A 57 -7.107 -18.258 -18.824 1.00 42.14 H new ATOM 0 HB3 GLU A 57 -8.018 -19.722 -18.511 1.00 42.14 H new ATOM 0 HG2 GLU A 57 -7.434 -20.281 -21.030 1.00 12.53 H new ATOM 0 HG3 GLU A 57 -6.161 -19.099 -20.796 1.00 12.53 H new ATOM 946 N VAL A 58 -10.295 -17.878 -18.023 1.00 71.13 N ATOM 947 CA VAL A 58 -11.427 -18.012 -17.114 1.00 41.00 C ATOM 948 C VAL A 58 -12.701 -17.452 -17.736 1.00 40.23 C ATOM 949 O VAL A 58 -13.766 -18.065 -17.655 1.00 14.31 O ATOM 950 CB VAL A 58 -11.162 -17.293 -15.778 1.00 41.41 C ATOM 951 CG1 VAL A 58 -12.365 -17.418 -14.856 1.00 52.21 C ATOM 952 CG2 VAL A 58 -9.911 -17.847 -15.114 1.00 21.32 C ATOM 0 H VAL A 58 -9.635 -17.142 -17.770 1.00 71.13 H new ATOM 0 HA VAL A 58 -11.557 -19.078 -16.925 1.00 41.00 H new ATOM 0 HB VAL A 58 -10.999 -16.235 -15.981 1.00 41.41 H new ATOM 0 HG11 VAL A 58 -12.159 -16.904 -13.917 1.00 52.21 H new ATOM 0 HG12 VAL A 58 -13.237 -16.969 -15.332 1.00 52.21 H new ATOM 0 HG13 VAL A 58 -12.563 -18.471 -14.657 1.00 52.21 H new ATOM 0 HG21 VAL A 58 -9.739 -17.327 -14.171 1.00 21.32 H new ATOM 0 HG22 VAL A 58 -10.042 -18.912 -14.923 1.00 21.32 H new ATOM 0 HG23 VAL A 58 -9.054 -17.699 -15.771 1.00 21.32 H new ATOM 962 N LEU A 59 -12.585 -16.284 -18.358 1.00 42.14 N ATOM 963 CA LEU A 59 -13.728 -15.640 -18.996 1.00 43.33 C ATOM 964 C LEU A 59 -14.119 -16.369 -20.278 1.00 23.13 C ATOM 965 O LEU A 59 -15.153 -16.078 -20.879 1.00 22.15 O ATOM 966 CB LEU A 59 -13.406 -14.177 -19.307 1.00 11.25 C ATOM 967 CG LEU A 59 -13.942 -13.146 -18.312 1.00 24.32 C ATOM 968 CD1 LEU A 59 -13.541 -13.516 -16.892 1.00 64.22 C ATOM 969 CD2 LEU A 59 -13.439 -11.754 -18.664 1.00 53.21 C ATOM 0 H LEU A 59 -11.711 -15.763 -18.434 1.00 42.14 H new ATOM 0 HA LEU A 59 -14.570 -15.682 -18.304 1.00 43.33 H new ATOM 0 HB2 LEU A 59 -12.323 -14.068 -19.364 1.00 11.25 H new ATOM 0 HB3 LEU A 59 -13.803 -13.940 -20.294 1.00 11.25 H new ATOM 0 HG LEU A 59 -15.030 -13.143 -18.372 1.00 24.32 H new ATOM 0 HD11 LEU A 59 -13.931 -12.771 -16.198 1.00 64.22 H new ATOM 0 HD12 LEU A 59 -13.950 -14.495 -16.642 1.00 64.22 H new ATOM 0 HD13 LEU A 59 -12.454 -13.547 -16.817 1.00 64.22 H new ATOM 0 HD21 LEU A 59 -13.830 -11.033 -17.946 1.00 53.21 H new ATOM 0 HD22 LEU A 59 -12.349 -11.742 -18.633 1.00 53.21 H new ATOM 0 HD23 LEU A 59 -13.777 -11.488 -19.666 1.00 53.21 H new ATOM 981 N SER A 60 -13.286 -17.320 -20.689 1.00 44.52 N ATOM 982 CA SER A 60 -13.543 -18.090 -21.900 1.00 72.02 C ATOM 983 C SER A 60 -14.670 -19.094 -21.676 1.00 11.30 C ATOM 984 O SER A 60 -15.210 -19.660 -22.626 1.00 64.54 O ATOM 985 CB SER A 60 -12.275 -18.821 -22.344 1.00 43.04 C ATOM 986 OG SER A 60 -12.569 -19.809 -23.317 1.00 14.31 O ATOM 0 H SER A 60 -12.428 -17.575 -20.201 1.00 44.52 H new ATOM 0 HA SER A 60 -13.847 -17.397 -22.684 1.00 72.02 H new ATOM 0 HB2 SER A 60 -11.563 -18.104 -22.753 1.00 43.04 H new ATOM 0 HB3 SER A 60 -11.799 -19.287 -21.481 1.00 43.04 H new ATOM 0 HG SER A 60 -11.742 -20.260 -23.585 1.00 14.31 H new ATOM 992 N ASP A 61 -15.020 -19.308 -20.413 1.00 21.24 N ATOM 993 CA ASP A 61 -16.083 -20.242 -20.062 1.00 32.54 C ATOM 994 C ASP A 61 -16.974 -19.665 -18.966 1.00 74.04 C ATOM 995 O ASP A 61 -16.486 -19.198 -17.938 1.00 61.02 O ATOM 996 CB ASP A 61 -15.489 -21.575 -19.603 1.00 74.43 C ATOM 997 CG ASP A 61 -16.330 -22.762 -20.032 1.00 40.25 C ATOM 998 OD1 ASP A 61 -16.738 -22.804 -21.212 1.00 11.42 O ATOM 999 OD2 ASP A 61 -16.580 -23.648 -19.189 1.00 35.12 O ATOM 0 H ASP A 61 -14.583 -18.847 -19.615 1.00 21.24 H new ATOM 0 HA ASP A 61 -16.692 -20.410 -20.950 1.00 32.54 H new ATOM 0 HB2 ASP A 61 -14.483 -21.680 -20.009 1.00 74.43 H new ATOM 0 HB3 ASP A 61 -15.396 -21.573 -18.517 1.00 74.43 H new ATOM 1004 N GLU A 62 -18.283 -19.700 -19.196 1.00 34.02 N ATOM 1005 CA GLU A 62 -19.242 -19.178 -18.229 1.00 21.13 C ATOM 1006 C GLU A 62 -19.022 -19.802 -16.854 1.00 32.33 C ATOM 1007 O GLU A 62 -19.074 -19.116 -15.833 1.00 24.44 O ATOM 1008 CB GLU A 62 -20.673 -19.446 -18.700 1.00 22.01 C ATOM 1009 CG GLU A 62 -20.922 -20.891 -19.097 1.00 72.31 C ATOM 1010 CD GLU A 62 -22.335 -21.124 -19.595 1.00 54.10 C ATOM 1011 OE1 GLU A 62 -22.578 -22.175 -20.224 1.00 50.22 O ATOM 1012 OE2 GLU A 62 -23.199 -20.254 -19.355 1.00 30.22 O ATOM 0 H GLU A 62 -18.703 -20.084 -20.042 1.00 34.02 H new ATOM 0 HA GLU A 62 -19.089 -18.102 -18.149 1.00 21.13 H new ATOM 0 HB2 GLU A 62 -21.366 -19.172 -17.904 1.00 22.01 H new ATOM 0 HB3 GLU A 62 -20.893 -18.801 -19.551 1.00 22.01 H new ATOM 0 HG2 GLU A 62 -20.215 -21.177 -19.875 1.00 72.31 H new ATOM 0 HG3 GLU A 62 -20.732 -21.537 -18.240 1.00 72.31 H new ATOM 1019 N VAL A 63 -18.778 -21.109 -16.836 1.00 3.24 N ATOM 1020 CA VAL A 63 -18.550 -21.827 -15.587 1.00 44.33 C ATOM 1021 C VAL A 63 -17.350 -21.258 -14.838 1.00 22.32 C ATOM 1022 O VAL A 63 -17.447 -20.909 -13.661 1.00 50.22 O ATOM 1023 CB VAL A 63 -18.320 -23.329 -15.838 1.00 21.04 C ATOM 1024 CG1 VAL A 63 -18.264 -24.088 -14.520 1.00 42.44 C ATOM 1025 CG2 VAL A 63 -19.408 -23.891 -16.740 1.00 11.20 C ATOM 0 H VAL A 63 -18.733 -21.692 -17.672 1.00 3.24 H new ATOM 0 HA VAL A 63 -19.447 -21.701 -14.980 1.00 44.33 H new ATOM 0 HB VAL A 63 -17.362 -23.453 -16.343 1.00 21.04 H new ATOM 0 HG11 VAL A 63 -18.101 -25.148 -14.717 1.00 42.44 H new ATOM 0 HG12 VAL A 63 -17.446 -23.702 -13.912 1.00 42.44 H new ATOM 0 HG13 VAL A 63 -19.205 -23.959 -13.986 1.00 42.44 H new ATOM 0 HG21 VAL A 63 -19.230 -24.953 -16.907 1.00 11.20 H new ATOM 0 HG22 VAL A 63 -20.380 -23.756 -16.265 1.00 11.20 H new ATOM 0 HG23 VAL A 63 -19.395 -23.367 -17.695 1.00 11.20 H new ATOM 1035 N LYS A 64 -16.217 -21.168 -15.527 1.00 14.11 N ATOM 1036 CA LYS A 64 -14.997 -20.640 -14.928 1.00 70.15 C ATOM 1037 C LYS A 64 -15.183 -19.187 -14.505 1.00 13.41 C ATOM 1038 O LYS A 64 -14.784 -18.794 -13.409 1.00 4.32 O ATOM 1039 CB LYS A 64 -13.832 -20.750 -15.915 1.00 11.41 C ATOM 1040 CG LYS A 64 -13.326 -22.169 -16.104 1.00 35.43 C ATOM 1041 CD LYS A 64 -11.840 -22.195 -16.418 1.00 0.24 C ATOM 1042 CE LYS A 64 -11.009 -21.773 -15.215 1.00 72.23 C ATOM 1043 NZ LYS A 64 -9.558 -22.037 -15.423 1.00 75.35 N ATOM 0 H LYS A 64 -16.119 -21.454 -16.501 1.00 14.11 H new ATOM 0 HA LYS A 64 -14.772 -21.232 -14.041 1.00 70.15 H new ATOM 0 HB2 LYS A 64 -14.146 -20.354 -16.881 1.00 11.41 H new ATOM 0 HB3 LYS A 64 -13.011 -20.124 -15.566 1.00 11.41 H new ATOM 0 HG2 LYS A 64 -13.518 -22.748 -15.200 1.00 35.43 H new ATOM 0 HG3 LYS A 64 -13.878 -22.648 -16.913 1.00 35.43 H new ATOM 0 HD2 LYS A 64 -11.550 -23.199 -16.728 1.00 0.24 H new ATOM 0 HD3 LYS A 64 -11.632 -21.530 -17.256 1.00 0.24 H new ATOM 0 HE2 LYS A 64 -11.161 -20.711 -15.023 1.00 72.23 H new ATOM 0 HE3 LYS A 64 -11.352 -22.309 -14.330 1.00 72.23 H new ATOM 0 HZ1 LYS A 64 -9.026 -21.736 -14.581 1.00 75.35 H new ATOM 0 HZ2 LYS A 64 -9.409 -23.054 -15.581 1.00 75.35 H new ATOM 0 HZ3 LYS A 64 -9.224 -21.506 -16.252 1.00 75.35 H new ATOM 1057 N ARG A 65 -15.794 -18.394 -15.380 1.00 4.34 N ATOM 1058 CA ARG A 65 -16.033 -16.984 -15.095 1.00 42.14 C ATOM 1059 C ARG A 65 -16.921 -16.820 -13.865 1.00 61.33 C ATOM 1060 O ARG A 65 -16.641 -16.003 -12.988 1.00 51.22 O ATOM 1061 CB ARG A 65 -16.682 -16.302 -16.301 1.00 14.22 C ATOM 1062 CG ARG A 65 -16.935 -14.817 -16.097 1.00 41.24 C ATOM 1063 CD ARG A 65 -18.215 -14.370 -16.787 1.00 4.24 C ATOM 1064 NE ARG A 65 -18.879 -13.290 -16.061 1.00 22.41 N ATOM 1065 CZ ARG A 65 -19.459 -13.449 -14.876 1.00 62.35 C ATOM 1066 NH1 ARG A 65 -19.456 -14.637 -14.287 1.00 70.02 N ATOM 1067 NH2 ARG A 65 -20.043 -12.419 -14.279 1.00 1.42 N ATOM 0 H ARG A 65 -16.132 -18.704 -16.291 1.00 4.34 H new ATOM 0 HA ARG A 65 -15.072 -16.512 -14.892 1.00 42.14 H new ATOM 0 HB2 ARG A 65 -16.041 -16.437 -17.172 1.00 14.22 H new ATOM 0 HB3 ARG A 65 -17.628 -16.796 -16.522 1.00 14.22 H new ATOM 0 HG2 ARG A 65 -17.001 -14.601 -15.031 1.00 41.24 H new ATOM 0 HG3 ARG A 65 -16.092 -14.246 -16.486 1.00 41.24 H new ATOM 0 HD2 ARG A 65 -17.984 -14.038 -17.799 1.00 4.24 H new ATOM 0 HD3 ARG A 65 -18.894 -15.218 -16.876 1.00 4.24 H new ATOM 0 HE ARG A 65 -18.898 -12.363 -16.487 1.00 22.41 H new ATOM 0 HH11 ARG A 65 -19.008 -15.431 -14.743 1.00 70.02 H new ATOM 0 HH12 ARG A 65 -19.902 -14.756 -13.377 1.00 70.02 H new ATOM 0 HH21 ARG A 65 -20.047 -11.504 -14.729 1.00 1.42 H new ATOM 0 HH22 ARG A 65 -20.488 -12.542 -13.369 1.00 1.42 H new ATOM 1081 N LYS A 66 -17.993 -17.603 -13.808 1.00 30.02 N ATOM 1082 CA LYS A 66 -18.923 -17.547 -12.686 1.00 3.20 C ATOM 1083 C LYS A 66 -18.239 -17.975 -11.391 1.00 75.12 C ATOM 1084 O LYS A 66 -18.424 -17.351 -10.347 1.00 22.24 O ATOM 1085 CB LYS A 66 -20.134 -18.442 -12.956 1.00 15.42 C ATOM 1086 CG LYS A 66 -21.076 -17.888 -14.011 1.00 71.34 C ATOM 1087 CD LYS A 66 -21.848 -16.686 -13.495 1.00 34.14 C ATOM 1088 CE LYS A 66 -22.322 -15.796 -14.634 1.00 32.43 C ATOM 1089 NZ LYS A 66 -23.530 -16.351 -15.305 1.00 14.21 N ATOM 0 H LYS A 66 -18.239 -18.284 -14.526 1.00 30.02 H new ATOM 0 HA LYS A 66 -19.259 -16.516 -12.575 1.00 3.20 H new ATOM 0 HB2 LYS A 66 -19.785 -19.425 -13.272 1.00 15.42 H new ATOM 0 HB3 LYS A 66 -20.685 -18.583 -12.026 1.00 15.42 H new ATOM 0 HG2 LYS A 66 -20.506 -17.603 -14.895 1.00 71.34 H new ATOM 0 HG3 LYS A 66 -21.775 -18.665 -14.320 1.00 71.34 H new ATOM 0 HD2 LYS A 66 -22.707 -17.025 -12.916 1.00 34.14 H new ATOM 0 HD3 LYS A 66 -21.216 -16.109 -12.820 1.00 34.14 H new ATOM 0 HE2 LYS A 66 -22.545 -14.801 -14.249 1.00 32.43 H new ATOM 0 HE3 LYS A 66 -21.521 -15.683 -15.364 1.00 32.43 H new ATOM 0 HZ1 LYS A 66 -23.822 -15.716 -16.075 1.00 14.21 H new ATOM 0 HZ2 LYS A 66 -23.310 -17.290 -15.695 1.00 14.21 H new ATOM 0 HZ3 LYS A 66 -24.303 -16.435 -14.614 1.00 14.21 H new ATOM 1103 N GLN A 67 -17.450 -19.042 -11.469 1.00 10.53 N ATOM 1104 CA GLN A 67 -16.739 -19.551 -10.302 1.00 71.52 C ATOM 1105 C GLN A 67 -15.816 -18.487 -9.719 1.00 44.02 C ATOM 1106 O GLN A 67 -15.719 -18.334 -8.501 1.00 64.53 O ATOM 1107 CB GLN A 67 -15.931 -20.796 -10.675 1.00 13.13 C ATOM 1108 CG GLN A 67 -16.768 -22.063 -10.754 1.00 4.11 C ATOM 1109 CD GLN A 67 -17.544 -22.330 -9.480 1.00 15.13 C ATOM 1110 OE1 GLN A 67 -17.011 -22.886 -8.519 1.00 14.31 O ATOM 1111 NE2 GLN A 67 -18.812 -21.934 -9.465 1.00 20.21 N ATOM 0 H GLN A 67 -17.287 -19.570 -12.326 1.00 10.53 H new ATOM 0 HA GLN A 67 -17.477 -19.818 -9.546 1.00 71.52 H new ATOM 0 HB2 GLN A 67 -15.447 -20.630 -11.637 1.00 13.13 H new ATOM 0 HB3 GLN A 67 -15.139 -20.939 -9.940 1.00 13.13 H new ATOM 0 HG2 GLN A 67 -17.464 -21.982 -11.589 1.00 4.11 H new ATOM 0 HG3 GLN A 67 -16.117 -22.912 -10.963 1.00 4.11 H new ATOM 0 HE21 GLN A 67 -19.213 -21.477 -10.284 1.00 20.21 H new ATOM 0 HE22 GLN A 67 -19.384 -22.087 -8.635 1.00 20.21 H new ATOM 1120 N TYR A 68 -15.139 -17.754 -10.596 1.00 1.30 N ATOM 1121 CA TYR A 68 -14.221 -16.705 -10.168 1.00 64.00 C ATOM 1122 C TYR A 68 -14.980 -15.535 -9.550 1.00 42.34 C ATOM 1123 O TYR A 68 -14.502 -14.895 -8.614 1.00 5.14 O ATOM 1124 CB TYR A 68 -13.384 -16.217 -11.352 1.00 3.24 C ATOM 1125 CG TYR A 68 -12.485 -15.047 -11.017 1.00 34.54 C ATOM 1126 CD1 TYR A 68 -11.392 -15.205 -10.174 1.00 31.53 C ATOM 1127 CD2 TYR A 68 -12.730 -13.785 -11.542 1.00 14.10 C ATOM 1128 CE1 TYR A 68 -10.569 -14.140 -9.864 1.00 60.02 C ATOM 1129 CE2 TYR A 68 -11.912 -12.714 -11.239 1.00 62.12 C ATOM 1130 CZ TYR A 68 -10.833 -12.897 -10.400 1.00 3.43 C ATOM 1131 OH TYR A 68 -10.016 -11.832 -10.095 1.00 23.15 O ATOM 0 H TYR A 68 -15.209 -17.867 -11.607 1.00 1.30 H new ATOM 0 HA TYR A 68 -13.558 -17.124 -9.411 1.00 64.00 H new ATOM 0 HB2 TYR A 68 -12.772 -17.041 -11.718 1.00 3.24 H new ATOM 0 HB3 TYR A 68 -14.052 -15.930 -12.165 1.00 3.24 H new ATOM 0 HD1 TYR A 68 -11.182 -16.178 -9.754 1.00 31.53 H new ATOM 0 HD2 TYR A 68 -13.575 -13.638 -12.199 1.00 14.10 H new ATOM 0 HE1 TYR A 68 -9.724 -14.280 -9.206 1.00 60.02 H new ATOM 0 HE2 TYR A 68 -12.116 -11.739 -11.657 1.00 62.12 H new ATOM 0 HH TYR A 68 -9.107 -12.155 -9.925 1.00 23.15 H new ATOM 1141 N ASP A 69 -16.166 -15.261 -10.082 1.00 32.40 N ATOM 1142 CA ASP A 69 -16.994 -14.170 -9.583 1.00 53.52 C ATOM 1143 C ASP A 69 -17.488 -14.463 -8.170 1.00 25.51 C ATOM 1144 O ASP A 69 -17.673 -13.552 -7.364 1.00 41.24 O ATOM 1145 CB ASP A 69 -18.185 -13.938 -10.514 1.00 52.25 C ATOM 1146 CG ASP A 69 -18.909 -12.640 -10.216 1.00 52.43 C ATOM 1147 OD1 ASP A 69 -20.151 -12.608 -10.349 1.00 62.13 O ATOM 1148 OD2 ASP A 69 -18.234 -11.655 -9.849 1.00 74.22 O ATOM 0 H ASP A 69 -16.575 -15.780 -10.859 1.00 32.40 H new ATOM 0 HA ASP A 69 -16.383 -13.268 -9.555 1.00 53.52 H new ATOM 0 HB2 ASP A 69 -17.838 -13.928 -11.547 1.00 52.25 H new ATOM 0 HB3 ASP A 69 -18.883 -14.770 -10.420 1.00 52.25 H new ATOM 1153 N ALA A 70 -17.699 -15.742 -7.876 1.00 71.35 N ATOM 1154 CA ALA A 70 -18.170 -16.156 -6.561 1.00 20.44 C ATOM 1155 C ALA A 70 -17.163 -15.787 -5.476 1.00 75.22 C ATOM 1156 O ALA A 70 -17.541 -15.375 -4.379 1.00 54.13 O ATOM 1157 CB ALA A 70 -18.441 -17.653 -6.544 1.00 72.52 C ATOM 0 H ALA A 70 -17.551 -16.509 -8.532 1.00 71.35 H new ATOM 0 HA ALA A 70 -19.100 -15.627 -6.353 1.00 20.44 H new ATOM 0 HB1 ALA A 70 -18.792 -17.948 -5.555 1.00 72.52 H new ATOM 0 HB2 ALA A 70 -19.202 -17.893 -7.286 1.00 72.52 H new ATOM 0 HB3 ALA A 70 -17.523 -18.192 -6.778 1.00 72.52 H new ATOM 1163 N TYR A 71 -15.882 -15.939 -5.789 1.00 45.44 N ATOM 1164 CA TYR A 71 -14.821 -15.624 -4.840 1.00 45.00 C ATOM 1165 C TYR A 71 -14.158 -14.293 -5.184 1.00 72.54 C ATOM 1166 O TYR A 71 -12.994 -14.064 -4.861 1.00 23.35 O ATOM 1167 CB TYR A 71 -13.773 -16.739 -4.825 1.00 55.13 C ATOM 1168 CG TYR A 71 -14.299 -18.056 -4.300 1.00 63.05 C ATOM 1169 CD1 TYR A 71 -14.701 -18.188 -2.977 1.00 74.54 C ATOM 1170 CD2 TYR A 71 -14.393 -19.168 -5.128 1.00 53.04 C ATOM 1171 CE1 TYR A 71 -15.181 -19.390 -2.494 1.00 31.14 C ATOM 1172 CE2 TYR A 71 -14.873 -20.373 -4.654 1.00 32.34 C ATOM 1173 CZ TYR A 71 -15.265 -20.479 -3.335 1.00 73.55 C ATOM 1174 OH TYR A 71 -15.744 -21.678 -2.858 1.00 10.13 O ATOM 0 H TYR A 71 -15.553 -16.278 -6.693 1.00 45.44 H new ATOM 0 HA TYR A 71 -15.268 -15.541 -3.850 1.00 45.00 H new ATOM 0 HB2 TYR A 71 -13.396 -16.885 -5.837 1.00 55.13 H new ATOM 0 HB3 TYR A 71 -12.928 -16.424 -4.212 1.00 55.13 H new ATOM 0 HD1 TYR A 71 -14.637 -17.337 -2.315 1.00 74.54 H new ATOM 0 HD2 TYR A 71 -14.085 -19.088 -6.160 1.00 53.04 H new ATOM 0 HE1 TYR A 71 -15.489 -19.476 -1.462 1.00 31.14 H new ATOM 0 HE2 TYR A 71 -14.941 -21.227 -5.311 1.00 32.34 H new ATOM 0 HH TYR A 71 -15.739 -22.342 -3.579 1.00 10.13 H new ATOM 1184 N GLY A 72 -14.911 -13.418 -5.844 1.00 31.10 N ATOM 1185 CA GLY A 72 -14.382 -12.121 -6.222 1.00 1.33 C ATOM 1186 C GLY A 72 -14.985 -10.990 -5.412 1.00 75.30 C ATOM 1187 O GLY A 72 -15.885 -11.210 -4.601 1.00 70.00 O ATOM 0 H GLY A 72 -15.878 -13.585 -6.123 1.00 31.10 H new ATOM 0 HA2 GLY A 72 -13.300 -12.121 -6.091 1.00 1.33 H new ATOM 0 HA3 GLY A 72 -14.574 -11.948 -7.281 1.00 1.33 H new ATOM 1191 N SER A 73 -14.489 -9.777 -5.631 1.00 3.13 N ATOM 1192 CA SER A 73 -14.981 -8.608 -4.911 1.00 31.21 C ATOM 1193 C SER A 73 -15.173 -7.428 -5.858 1.00 44.31 C ATOM 1194 O SER A 73 -14.518 -7.339 -6.896 1.00 31.34 O ATOM 1195 CB SER A 73 -14.011 -8.226 -3.791 1.00 63.35 C ATOM 1196 OG SER A 73 -13.503 -9.379 -3.141 1.00 54.41 O ATOM 0 H SER A 73 -13.747 -9.578 -6.301 1.00 3.13 H new ATOM 0 HA SER A 73 -15.947 -8.861 -4.474 1.00 31.21 H new ATOM 0 HB2 SER A 73 -13.187 -7.644 -4.202 1.00 63.35 H new ATOM 0 HB3 SER A 73 -14.520 -7.590 -3.066 1.00 63.35 H new ATOM 0 HG SER A 73 -12.885 -9.108 -2.431 1.00 54.41 H new TER 1202 SER A 73