USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 500 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 Single : A 1 GLY N :NH3+ -126:sc= -0.218 (180deg=-1.74!) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 19 THR OG1 : rot -121:sc= 0.141 USER MOD Single : A 20 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.9) USER MOD Single : A 23 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.6!) USER MOD Single : A 30 ASN : amide:sc= -0.428 K(o=-0.43,f=-2.4!) USER MOD Single : A 33 TYR OH : rot 70:sc= -0.717 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 57:sc= 0.0176 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0689 X(o=-0.069,f=-0.28) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.473 F(o=-1.5,f=-0.47) USER MOD Single : A 50 ASN : amide:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.381 K(o=-0.38,f=-1.2) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 103:sc= 3.47 USER MOD Single : A 59 SER OG : rot -91:sc= 0.0444 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.645 -6.330 -1.451 1.00 70.14 N ATOM 2 CA GLY A 1 4.748 -5.179 -2.330 1.00 23.53 C ATOM 3 C GLY A 1 3.461 -4.381 -2.393 1.00 63.23 C ATOM 4 O GLY A 1 2.782 -4.338 -3.419 1.00 64.34 O ATOM 0 H1 GLY A 1 5.412 -6.301 -0.749 1.00 70.14 H new ATOM 0 H2 GLY A 1 3.727 -6.312 -0.962 1.00 70.14 H new ATOM 0 H3 GLY A 1 4.722 -7.203 -2.011 1.00 70.14 H new ATOM 0 HA2 GLY A 1 5.556 -4.533 -1.985 1.00 23.53 H new ATOM 0 HA3 GLY A 1 5.014 -5.514 -3.333 1.00 23.53 H new ATOM 8 N PRO A 2 3.108 -3.731 -1.275 1.00 32.14 N ATOM 9 CA PRO A 2 1.891 -2.920 -1.182 1.00 15.43 C ATOM 10 C PRO A 2 1.980 -1.644 -2.012 1.00 12.31 C ATOM 11 O PRO A 2 0.965 -1.013 -2.310 1.00 51.43 O ATOM 12 CB PRO A 2 1.802 -2.583 0.309 1.00 52.42 C ATOM 13 CG PRO A 2 3.206 -2.661 0.799 1.00 23.02 C ATOM 14 CD PRO A 2 3.869 -3.738 -0.014 1.00 44.13 C ATOM 0 HA PRO A 2 1.019 -3.449 -1.566 1.00 15.43 H new ATOM 0 HB2 PRO A 2 1.383 -1.589 0.466 1.00 52.42 H new ATOM 0 HB3 PRO A 2 1.159 -3.287 0.836 1.00 52.42 H new ATOM 0 HG2 PRO A 2 3.717 -1.706 0.673 1.00 23.02 H new ATOM 0 HG3 PRO A 2 3.236 -2.900 1.862 1.00 23.02 H new ATOM 0 HD2 PRO A 2 4.925 -3.523 -0.181 1.00 44.13 H new ATOM 0 HD3 PRO A 2 3.815 -4.707 0.482 1.00 44.13 H new ATOM 22 N LEU A 3 3.199 -1.269 -2.383 1.00 0.11 N ATOM 23 CA LEU A 3 3.421 -0.067 -3.180 1.00 72.51 C ATOM 24 C LEU A 3 4.131 -0.405 -4.487 1.00 52.33 C ATOM 25 O LEU A 3 5.173 -1.058 -4.489 1.00 30.42 O ATOM 26 CB LEU A 3 4.243 0.950 -2.387 1.00 64.23 C ATOM 27 CG LEU A 3 3.696 1.329 -1.011 1.00 22.12 C ATOM 28 CD1 LEU A 3 4.737 2.103 -0.217 1.00 65.50 C ATOM 29 CD2 LEU A 3 2.417 2.142 -1.151 1.00 23.44 C ATOM 0 H LEU A 3 4.049 -1.780 -2.145 1.00 0.11 H new ATOM 0 HA LEU A 3 2.450 0.367 -3.417 1.00 72.51 H new ATOM 0 HB2 LEU A 3 5.250 0.552 -2.259 1.00 64.23 H new ATOM 0 HB3 LEU A 3 4.333 1.858 -2.983 1.00 64.23 H new ATOM 0 HG LEU A 3 3.463 0.412 -0.469 1.00 22.12 H new ATOM 0 HD11 LEU A 3 4.329 2.364 0.760 1.00 65.50 H new ATOM 0 HD12 LEU A 3 5.627 1.487 -0.086 1.00 65.50 H new ATOM 0 HD13 LEU A 3 5.002 3.013 -0.755 1.00 65.50 H new ATOM 0 HD21 LEU A 3 2.042 2.403 -0.162 1.00 23.44 H new ATOM 0 HD22 LEU A 3 2.625 3.053 -1.712 1.00 23.44 H new ATOM 0 HD23 LEU A 3 1.667 1.553 -1.680 1.00 23.44 H new ATOM 41 N GLY A 4 3.559 0.048 -5.599 1.00 44.33 N ATOM 42 CA GLY A 4 4.152 -0.214 -6.898 1.00 4.43 C ATOM 43 C GLY A 4 4.658 1.048 -7.569 1.00 70.12 C ATOM 44 O GLY A 4 4.242 1.377 -8.680 1.00 43.10 O ATOM 0 H GLY A 4 2.696 0.591 -5.623 1.00 44.33 H new ATOM 0 HA2 GLY A 4 4.977 -0.916 -6.782 1.00 4.43 H new ATOM 0 HA3 GLY A 4 3.414 -0.693 -7.541 1.00 4.43 H new ATOM 48 N SER A 5 5.556 1.757 -6.893 1.00 65.12 N ATOM 49 CA SER A 5 6.115 2.993 -7.429 1.00 62.41 C ATOM 50 C SER A 5 7.276 2.699 -8.374 1.00 63.22 C ATOM 51 O SER A 5 7.871 1.621 -8.352 1.00 71.00 O ATOM 52 CB SER A 5 6.586 3.900 -6.291 1.00 24.22 C ATOM 53 OG SER A 5 6.294 3.327 -5.028 1.00 2.10 O ATOM 0 H SER A 5 5.912 1.497 -5.973 1.00 65.12 H new ATOM 0 HA SER A 5 5.332 3.503 -7.991 1.00 62.41 H new ATOM 0 HB2 SER A 5 7.659 4.070 -6.377 1.00 24.22 H new ATOM 0 HB3 SER A 5 6.102 4.873 -6.373 1.00 24.22 H new ATOM 0 HG SER A 5 6.606 3.925 -4.317 1.00 2.10 H new ATOM 59 N PRO A 6 7.608 3.681 -9.226 1.00 33.40 N ATOM 60 CA PRO A 6 8.700 3.552 -10.195 1.00 51.43 C ATOM 61 C PRO A 6 10.070 3.537 -9.526 1.00 50.12 C ATOM 62 O PRO A 6 10.773 4.547 -9.509 1.00 30.23 O ATOM 63 CB PRO A 6 8.546 4.799 -11.070 1.00 11.10 C ATOM 64 CG PRO A 6 7.853 5.790 -10.199 1.00 70.42 C ATOM 65 CD PRO A 6 6.942 4.992 -9.308 1.00 21.51 C ATOM 0 HA PRO A 6 8.644 2.615 -10.750 1.00 51.43 H new ATOM 0 HB2 PRO A 6 9.515 5.172 -11.401 1.00 11.10 H new ATOM 0 HB3 PRO A 6 7.964 4.584 -11.966 1.00 11.10 H new ATOM 0 HG2 PRO A 6 8.571 6.362 -9.611 1.00 70.42 H new ATOM 0 HG3 PRO A 6 7.287 6.505 -10.796 1.00 70.42 H new ATOM 0 HD2 PRO A 6 6.837 5.452 -8.325 1.00 21.51 H new ATOM 0 HD3 PRO A 6 5.940 4.908 -9.729 1.00 21.51 H new ATOM 73 N GLU A 7 10.443 2.385 -8.977 1.00 54.12 N ATOM 74 CA GLU A 7 11.729 2.240 -8.307 1.00 3.13 C ATOM 75 C GLU A 7 12.472 1.008 -8.815 1.00 61.22 C ATOM 76 O GLU A 7 12.182 -0.116 -8.406 1.00 64.05 O ATOM 77 CB GLU A 7 11.532 2.142 -6.793 1.00 22.55 C ATOM 78 CG GLU A 7 10.414 1.197 -6.384 1.00 63.25 C ATOM 79 CD GLU A 7 10.683 0.514 -5.058 1.00 31.24 C ATOM 80 OE1 GLU A 7 10.316 1.086 -4.010 1.00 71.11 O ATOM 81 OE2 GLU A 7 11.260 -0.594 -5.067 1.00 43.43 O ATOM 0 H GLU A 7 9.873 1.539 -8.983 1.00 54.12 H new ATOM 0 HA GLU A 7 12.328 3.122 -8.532 1.00 3.13 H new ATOM 0 HB2 GLU A 7 12.463 1.809 -6.335 1.00 22.55 H new ATOM 0 HB3 GLU A 7 11.319 3.135 -6.398 1.00 22.55 H new ATOM 0 HG2 GLU A 7 9.479 1.753 -6.319 1.00 63.25 H new ATOM 0 HG3 GLU A 7 10.282 0.441 -7.158 1.00 63.25 H new ATOM 88 N GLU A 8 13.430 1.229 -9.710 1.00 24.14 N ATOM 89 CA GLU A 8 14.213 0.136 -10.275 1.00 4.40 C ATOM 90 C GLU A 8 15.699 0.324 -9.983 1.00 45.32 C ATOM 91 O GLU A 8 16.398 -0.623 -9.621 1.00 62.15 O ATOM 92 CB GLU A 8 13.987 0.045 -11.785 1.00 54.24 C ATOM 93 CG GLU A 8 14.034 1.390 -12.490 1.00 54.43 C ATOM 94 CD GLU A 8 13.842 1.270 -13.990 1.00 0.33 C ATOM 95 OE1 GLU A 8 14.006 0.153 -14.522 1.00 24.21 O ATOM 96 OE2 GLU A 8 13.527 2.295 -14.631 1.00 22.02 O ATOM 0 H GLU A 8 13.682 2.154 -10.059 1.00 24.14 H new ATOM 0 HA GLU A 8 13.883 -0.792 -9.809 1.00 4.40 H new ATOM 0 HB2 GLU A 8 14.743 -0.609 -12.218 1.00 54.24 H new ATOM 0 HB3 GLU A 8 13.019 -0.420 -11.972 1.00 54.24 H new ATOM 0 HG2 GLU A 8 13.260 2.038 -12.079 1.00 54.43 H new ATOM 0 HG3 GLU A 8 14.992 1.869 -12.287 1.00 54.43 H new ATOM 103 N THR A 9 16.177 1.555 -10.144 1.00 22.43 N ATOM 104 CA THR A 9 17.579 1.868 -9.900 1.00 24.12 C ATOM 105 C THR A 9 17.724 3.157 -9.099 1.00 53.13 C ATOM 106 O THR A 9 16.912 4.074 -9.228 1.00 61.22 O ATOM 107 CB THR A 9 18.362 2.006 -11.219 1.00 51.14 C ATOM 108 OG1 THR A 9 18.166 0.842 -12.030 1.00 35.13 O ATOM 109 CG2 THR A 9 19.847 2.198 -10.950 1.00 52.45 C ATOM 0 H THR A 9 15.613 2.351 -10.442 1.00 22.43 H new ATOM 0 HA THR A 9 17.992 1.039 -9.326 1.00 24.12 H new ATOM 0 HB THR A 9 17.988 2.883 -11.747 1.00 51.14 H new ATOM 0 HG1 THR A 9 18.666 0.939 -12.867 1.00 35.13 H new ATOM 0 HG21 THR A 9 20.379 2.293 -11.897 1.00 52.45 H new ATOM 0 HG22 THR A 9 19.996 3.101 -10.358 1.00 52.45 H new ATOM 0 HG23 THR A 9 20.232 1.338 -10.402 1.00 52.45 H new ATOM 117 N VAL A 10 18.762 3.222 -8.272 1.00 64.33 N ATOM 118 CA VAL A 10 19.014 4.400 -7.452 1.00 0.33 C ATOM 119 C VAL A 10 20.344 5.050 -7.816 1.00 62.12 C ATOM 120 O VAL A 10 21.261 4.384 -8.298 1.00 2.54 O ATOM 121 CB VAL A 10 19.021 4.049 -5.952 1.00 53.01 C ATOM 122 CG1 VAL A 10 19.016 5.314 -5.107 1.00 75.22 C ATOM 123 CG2 VAL A 10 17.833 3.163 -5.608 1.00 1.04 C ATOM 0 H VAL A 10 19.443 2.472 -8.152 1.00 64.33 H new ATOM 0 HA VAL A 10 18.204 5.102 -7.650 1.00 0.33 H new ATOM 0 HB VAL A 10 19.934 3.497 -5.730 1.00 53.01 H new ATOM 0 HG11 VAL A 10 19.021 5.046 -4.051 1.00 75.22 H new ATOM 0 HG12 VAL A 10 19.901 5.907 -5.335 1.00 75.22 H new ATOM 0 HG13 VAL A 10 18.122 5.896 -5.329 1.00 75.22 H new ATOM 0 HG21 VAL A 10 17.853 2.924 -4.545 1.00 1.04 H new ATOM 0 HG22 VAL A 10 16.907 3.687 -5.845 1.00 1.04 H new ATOM 0 HG23 VAL A 10 17.886 2.242 -6.188 1.00 1.04 H new ATOM 133 N VAL A 11 20.443 6.355 -7.583 1.00 32.11 N ATOM 134 CA VAL A 11 21.662 7.095 -7.885 1.00 51.50 C ATOM 135 C VAL A 11 22.094 7.949 -6.698 1.00 45.34 C ATOM 136 O VAL A 11 21.261 8.428 -5.929 1.00 10.31 O ATOM 137 CB VAL A 11 21.477 8.003 -9.116 1.00 31.31 C ATOM 138 CG1 VAL A 11 21.217 7.168 -10.361 1.00 31.14 C ATOM 139 CG2 VAL A 11 20.346 8.993 -8.882 1.00 60.03 C ATOM 0 H VAL A 11 19.693 6.921 -7.186 1.00 32.11 H new ATOM 0 HA VAL A 11 22.435 6.358 -8.100 1.00 51.50 H new ATOM 0 HB VAL A 11 22.397 8.567 -9.272 1.00 31.31 H new ATOM 0 HG11 VAL A 11 21.089 7.826 -11.220 1.00 31.14 H new ATOM 0 HG12 VAL A 11 22.063 6.503 -10.536 1.00 31.14 H new ATOM 0 HG13 VAL A 11 20.313 6.576 -10.220 1.00 31.14 H new ATOM 0 HG21 VAL A 11 20.229 9.626 -9.761 1.00 60.03 H new ATOM 0 HG22 VAL A 11 19.419 8.450 -8.700 1.00 60.03 H new ATOM 0 HG23 VAL A 11 20.579 9.613 -8.016 1.00 60.03 H new ATOM 149 N ILE A 12 23.402 8.136 -6.557 1.00 3.23 N ATOM 150 CA ILE A 12 23.946 8.934 -5.464 1.00 74.05 C ATOM 151 C ILE A 12 24.473 10.272 -5.971 1.00 1.23 C ATOM 152 O ILE A 12 25.181 10.332 -6.976 1.00 31.14 O ATOM 153 CB ILE A 12 25.080 8.191 -4.734 1.00 71.25 C ATOM 154 CG1 ILE A 12 24.784 6.690 -4.681 1.00 4.50 C ATOM 155 CG2 ILE A 12 25.263 8.750 -3.332 1.00 11.43 C ATOM 156 CD1 ILE A 12 25.820 5.897 -3.916 1.00 5.44 C ATOM 0 H ILE A 12 24.105 7.746 -7.185 1.00 3.23 H new ATOM 0 HA ILE A 12 23.129 9.109 -4.764 1.00 74.05 H new ATOM 0 HB ILE A 12 26.007 8.340 -5.287 1.00 71.25 H new ATOM 0 HG12 ILE A 12 23.808 6.536 -4.221 1.00 4.50 H new ATOM 0 HG13 ILE A 12 24.721 6.304 -5.698 1.00 4.50 H new ATOM 0 HG21 ILE A 12 26.068 8.214 -2.829 1.00 11.43 H new ATOM 0 HG22 ILE A 12 25.514 9.809 -3.392 1.00 11.43 H new ATOM 0 HG23 ILE A 12 24.338 8.628 -2.768 1.00 11.43 H new ATOM 0 HD11 ILE A 12 25.546 4.842 -3.919 1.00 5.44 H new ATOM 0 HD12 ILE A 12 26.795 6.020 -4.388 1.00 5.44 H new ATOM 0 HD13 ILE A 12 25.867 6.256 -2.888 1.00 5.44 H new ATOM 168 N ALA A 13 24.125 11.344 -5.266 1.00 73.03 N ATOM 169 CA ALA A 13 24.566 12.681 -5.642 1.00 1.42 C ATOM 170 C ALA A 13 26.039 12.888 -5.306 1.00 22.21 C ATOM 171 O ALA A 13 26.473 12.626 -4.183 1.00 42.32 O ATOM 172 CB ALA A 13 23.712 13.733 -4.949 1.00 25.04 C ATOM 0 H ALA A 13 23.539 11.312 -4.432 1.00 73.03 H new ATOM 0 HA ALA A 13 24.448 12.786 -6.721 1.00 1.42 H new ATOM 0 HB1 ALA A 13 24.053 14.727 -5.239 1.00 25.04 H new ATOM 0 HB2 ALA A 13 22.670 13.607 -5.242 1.00 25.04 H new ATOM 0 HB3 ALA A 13 23.801 13.620 -3.869 1.00 25.04 H new ATOM 178 N LEU A 14 26.804 13.357 -6.285 1.00 42.22 N ATOM 179 CA LEU A 14 28.230 13.598 -6.094 1.00 2.24 C ATOM 180 C LEU A 14 28.480 15.015 -5.587 1.00 53.20 C ATOM 181 O LEU A 14 29.440 15.264 -4.858 1.00 11.53 O ATOM 182 CB LEU A 14 28.986 13.372 -7.404 1.00 42.31 C ATOM 183 CG LEU A 14 28.618 12.108 -8.182 1.00 4.31 C ATOM 184 CD1 LEU A 14 29.041 12.235 -9.637 1.00 51.33 C ATOM 185 CD2 LEU A 14 29.258 10.884 -7.544 1.00 4.13 C ATOM 0 H LEU A 14 26.461 13.578 -7.220 1.00 42.22 H new ATOM 0 HA LEU A 14 28.595 12.895 -5.346 1.00 2.24 H new ATOM 0 HB2 LEU A 14 28.819 14.234 -8.050 1.00 42.31 H new ATOM 0 HB3 LEU A 14 30.053 13.341 -7.184 1.00 42.31 H new ATOM 0 HG LEU A 14 27.535 11.986 -8.149 1.00 4.31 H new ATOM 0 HD11 LEU A 14 28.771 11.326 -10.175 1.00 51.33 H new ATOM 0 HD12 LEU A 14 28.536 13.088 -10.090 1.00 51.33 H new ATOM 0 HD13 LEU A 14 30.120 12.382 -9.691 1.00 51.33 H new ATOM 0 HD21 LEU A 14 28.985 9.994 -8.111 1.00 4.13 H new ATOM 0 HD22 LEU A 14 30.342 10.998 -7.546 1.00 4.13 H new ATOM 0 HD23 LEU A 14 28.906 10.783 -6.517 1.00 4.13 H new ATOM 197 N TYR A 15 27.608 15.939 -5.977 1.00 5.04 N ATOM 198 CA TYR A 15 27.734 17.331 -5.562 1.00 43.32 C ATOM 199 C TYR A 15 26.364 17.991 -5.445 1.00 35.21 C ATOM 200 O TYR A 15 25.401 17.567 -6.085 1.00 63.41 O ATOM 201 CB TYR A 15 28.601 18.105 -6.557 1.00 24.12 C ATOM 202 CG TYR A 15 29.919 17.430 -6.864 1.00 3.42 C ATOM 203 CD1 TYR A 15 30.023 16.501 -7.891 1.00 62.52 C ATOM 204 CD2 TYR A 15 31.060 17.722 -6.126 1.00 60.23 C ATOM 205 CE1 TYR A 15 31.225 15.881 -8.175 1.00 0.00 C ATOM 206 CE2 TYR A 15 32.266 17.108 -6.404 1.00 2.30 C ATOM 207 CZ TYR A 15 32.344 16.189 -7.429 1.00 34.40 C ATOM 208 OH TYR A 15 33.543 15.574 -7.708 1.00 0.32 O ATOM 0 H TYR A 15 26.807 15.749 -6.579 1.00 5.04 H new ATOM 0 HA TYR A 15 28.211 17.349 -4.582 1.00 43.32 H new ATOM 0 HB2 TYR A 15 28.045 18.237 -7.485 1.00 24.12 H new ATOM 0 HB3 TYR A 15 28.796 19.101 -6.158 1.00 24.12 H new ATOM 0 HD1 TYR A 15 29.149 16.259 -8.478 1.00 62.52 H new ATOM 0 HD2 TYR A 15 31.003 18.441 -5.322 1.00 60.23 H new ATOM 0 HE1 TYR A 15 31.288 15.160 -8.976 1.00 0.00 H new ATOM 0 HE2 TYR A 15 33.143 17.347 -5.821 1.00 2.30 H new ATOM 0 HH TYR A 15 34.231 15.903 -7.092 1.00 0.32 H new ATOM 218 N ASP A 16 26.283 19.031 -4.623 1.00 5.20 N ATOM 219 CA ASP A 16 25.032 19.752 -4.422 1.00 11.13 C ATOM 220 C ASP A 16 24.646 20.531 -5.675 1.00 73.13 C ATOM 221 O ASP A 16 24.986 21.706 -5.818 1.00 33.32 O ATOM 222 CB ASP A 16 25.153 20.705 -3.231 1.00 61.14 C ATOM 223 CG ASP A 16 26.360 21.617 -3.340 1.00 74.41 C ATOM 224 OD1 ASP A 16 27.481 21.152 -3.049 1.00 5.42 O ATOM 225 OD2 ASP A 16 26.182 22.794 -3.716 1.00 13.54 O ATOM 0 H ASP A 16 27.070 19.394 -4.085 1.00 5.20 H new ATOM 0 HA ASP A 16 24.250 19.021 -4.215 1.00 11.13 H new ATOM 0 HB2 ASP A 16 24.249 21.310 -3.160 1.00 61.14 H new ATOM 0 HB3 ASP A 16 25.221 20.125 -2.311 1.00 61.14 H new ATOM 230 N TYR A 17 23.935 19.869 -6.581 1.00 70.22 N ATOM 231 CA TYR A 17 23.506 20.498 -7.825 1.00 34.34 C ATOM 232 C TYR A 17 22.393 21.510 -7.567 1.00 64.15 C ATOM 233 O TYR A 17 21.598 21.352 -6.642 1.00 23.24 O ATOM 234 CB TYR A 17 23.026 19.438 -8.818 1.00 21.33 C ATOM 235 CG TYR A 17 22.449 20.017 -10.090 1.00 34.45 C ATOM 236 CD1 TYR A 17 23.268 20.622 -11.035 1.00 13.45 C ATOM 237 CD2 TYR A 17 21.084 19.959 -10.346 1.00 24.12 C ATOM 238 CE1 TYR A 17 22.745 21.153 -12.198 1.00 14.43 C ATOM 239 CE2 TYR A 17 20.553 20.486 -11.507 1.00 32.11 C ATOM 240 CZ TYR A 17 21.387 21.082 -12.430 1.00 12.35 C ATOM 241 OH TYR A 17 20.861 21.610 -13.587 1.00 30.34 O ATOM 0 H TYR A 17 23.643 18.897 -6.477 1.00 70.22 H new ATOM 0 HA TYR A 17 24.361 21.024 -8.250 1.00 34.34 H new ATOM 0 HB2 TYR A 17 23.861 18.785 -9.072 1.00 21.33 H new ATOM 0 HB3 TYR A 17 22.271 18.817 -8.336 1.00 21.33 H new ATOM 0 HD1 TYR A 17 24.332 20.678 -10.857 1.00 13.45 H new ATOM 0 HD2 TYR A 17 20.428 19.494 -9.625 1.00 24.12 H new ATOM 0 HE1 TYR A 17 23.396 21.621 -12.922 1.00 14.43 H new ATOM 0 HE2 TYR A 17 19.490 20.432 -11.691 1.00 32.11 H new ATOM 0 HH TYR A 17 19.890 21.476 -13.596 1.00 30.34 H new ATOM 251 N GLN A 18 22.345 22.549 -8.395 1.00 2.03 N ATOM 252 CA GLN A 18 21.331 23.588 -8.257 1.00 70.45 C ATOM 253 C GLN A 18 20.764 23.978 -9.618 1.00 43.34 C ATOM 254 O GLN A 18 21.509 24.311 -10.541 1.00 52.22 O ATOM 255 CB GLN A 18 21.921 24.818 -7.565 1.00 72.43 C ATOM 256 CG GLN A 18 21.909 24.726 -6.048 1.00 22.21 C ATOM 257 CD GLN A 18 22.491 25.958 -5.384 1.00 51.42 C ATOM 258 OE1 GLN A 18 22.763 26.963 -6.043 1.00 73.51 O ATOM 259 NE2 GLN A 18 22.685 25.889 -4.072 1.00 62.25 N ATOM 0 H GLN A 18 22.995 22.694 -9.167 1.00 2.03 H new ATOM 0 HA GLN A 18 20.520 23.191 -7.646 1.00 70.45 H new ATOM 0 HB2 GLN A 18 22.947 24.958 -7.904 1.00 72.43 H new ATOM 0 HB3 GLN A 18 21.361 25.701 -7.872 1.00 72.43 H new ATOM 0 HG2 GLN A 18 20.884 24.583 -5.705 1.00 22.21 H new ATOM 0 HG3 GLN A 18 22.475 23.848 -5.737 1.00 22.21 H new ATOM 0 HE21 GLN A 18 22.446 25.037 -3.565 1.00 62.25 H new ATOM 0 HE22 GLN A 18 23.073 26.688 -3.571 1.00 62.25 H new ATOM 268 N THR A 19 19.441 23.935 -9.737 1.00 52.25 N ATOM 269 CA THR A 19 18.774 24.283 -10.986 1.00 30.02 C ATOM 270 C THR A 19 18.337 25.743 -10.987 1.00 53.34 C ATOM 271 O THR A 19 18.237 26.372 -9.935 1.00 0.13 O ATOM 272 CB THR A 19 17.543 23.390 -11.233 1.00 44.21 C ATOM 273 OG1 THR A 19 16.844 23.832 -12.402 1.00 2.31 O ATOM 274 CG2 THR A 19 16.606 23.417 -10.035 1.00 62.51 C ATOM 0 H THR A 19 18.810 23.663 -8.984 1.00 52.25 H new ATOM 0 HA THR A 19 19.497 24.122 -11.786 1.00 30.02 H new ATOM 0 HB THR A 19 17.888 22.367 -11.382 1.00 44.21 H new ATOM 0 HG1 THR A 19 15.922 24.063 -12.164 1.00 2.31 H new ATOM 0 HG21 THR A 19 15.744 22.779 -10.233 1.00 62.51 H new ATOM 0 HG22 THR A 19 17.133 23.052 -9.153 1.00 62.51 H new ATOM 0 HG23 THR A 19 16.269 24.439 -9.860 1.00 62.51 H new ATOM 282 N ASN A 20 18.076 26.277 -12.176 1.00 62.04 N ATOM 283 CA ASN A 20 17.649 27.665 -12.314 1.00 70.43 C ATOM 284 C ASN A 20 16.134 27.754 -12.470 1.00 11.44 C ATOM 285 O ASN A 20 15.526 28.774 -12.144 1.00 35.12 O ATOM 286 CB ASN A 20 18.336 28.314 -13.517 1.00 54.25 C ATOM 287 CG ASN A 20 18.011 27.608 -14.819 1.00 60.44 C ATOM 288 OD1 ASN A 20 16.874 27.641 -15.290 1.00 51.00 O ATOM 289 ND2 ASN A 20 19.012 26.963 -15.408 1.00 32.00 N ATOM 0 H ASN A 20 18.153 25.770 -13.058 1.00 62.04 H new ATOM 0 HA ASN A 20 17.936 28.200 -11.408 1.00 70.43 H new ATOM 0 HB2 ASN A 20 18.030 29.358 -13.587 1.00 54.25 H new ATOM 0 HB3 ASN A 20 19.415 28.307 -13.363 1.00 54.25 H new ATOM 0 HD21 ASN A 20 18.854 26.469 -16.286 1.00 32.00 H new ATOM 0 HD22 ASN A 20 19.939 26.962 -14.982 1.00 32.00 H new ATOM 296 N ASP A 21 15.531 26.681 -12.969 1.00 23.35 N ATOM 297 CA ASP A 21 14.087 26.637 -13.166 1.00 20.13 C ATOM 298 C ASP A 21 13.468 25.479 -12.389 1.00 55.11 C ATOM 299 O ASP A 21 14.143 24.524 -12.007 1.00 64.52 O ATOM 300 CB ASP A 21 13.758 26.504 -14.653 1.00 73.43 C ATOM 301 CG ASP A 21 13.664 27.848 -15.348 1.00 60.22 C ATOM 302 OD1 ASP A 21 14.452 28.752 -14.999 1.00 73.45 O ATOM 303 OD2 ASP A 21 12.802 27.996 -16.240 1.00 44.22 O ATOM 0 H ASP A 21 16.020 25.829 -13.245 1.00 23.35 H new ATOM 0 HA ASP A 21 13.665 27.569 -12.791 1.00 20.13 H new ATOM 0 HB2 ASP A 21 14.524 25.900 -15.139 1.00 73.43 H new ATOM 0 HB3 ASP A 21 12.813 25.973 -14.767 1.00 73.43 H new ATOM 308 N PRO A 22 12.151 25.565 -12.148 1.00 52.22 N ATOM 309 CA PRO A 22 11.411 24.534 -11.415 1.00 23.24 C ATOM 310 C PRO A 22 11.281 23.239 -12.209 1.00 32.42 C ATOM 311 O PRO A 22 10.954 22.190 -11.653 1.00 50.32 O ATOM 312 CB PRO A 22 10.036 25.170 -11.199 1.00 33.53 C ATOM 313 CG PRO A 22 9.897 26.157 -12.305 1.00 51.14 C ATOM 314 CD PRO A 22 11.283 26.676 -12.574 1.00 34.31 C ATOM 0 HA PRO A 22 11.914 24.251 -10.491 1.00 23.24 H new ATOM 0 HB2 PRO A 22 9.244 24.422 -11.234 1.00 33.53 H new ATOM 0 HB3 PRO A 22 9.973 25.655 -10.225 1.00 33.53 H new ATOM 0 HG2 PRO A 22 9.476 25.689 -13.195 1.00 51.14 H new ATOM 0 HG3 PRO A 22 9.225 26.967 -12.023 1.00 51.14 H new ATOM 0 HD2 PRO A 22 11.425 26.916 -13.628 1.00 34.31 H new ATOM 0 HD3 PRO A 22 11.488 27.586 -12.010 1.00 34.31 H new ATOM 322 N GLN A 23 11.539 23.319 -13.510 1.00 54.21 N ATOM 323 CA GLN A 23 11.449 22.152 -14.380 1.00 3.32 C ATOM 324 C GLN A 23 12.415 21.062 -13.929 1.00 25.14 C ATOM 325 O GLN A 23 12.110 19.873 -14.019 1.00 12.44 O ATOM 326 CB GLN A 23 11.746 22.545 -15.828 1.00 53.51 C ATOM 327 CG GLN A 23 11.154 21.590 -16.851 1.00 75.23 C ATOM 328 CD GLN A 23 11.976 21.513 -18.123 1.00 14.43 C ATOM 329 OE1 GLN A 23 13.195 21.683 -18.098 1.00 60.54 O ATOM 330 NE2 GLN A 23 11.311 21.257 -19.243 1.00 52.43 N ATOM 0 H GLN A 23 11.812 24.179 -13.985 1.00 54.21 H new ATOM 0 HA GLN A 23 10.433 21.761 -14.318 1.00 3.32 H new ATOM 0 HB2 GLN A 23 11.357 23.547 -16.011 1.00 53.51 H new ATOM 0 HB3 GLN A 23 12.826 22.591 -15.969 1.00 53.51 H new ATOM 0 HG2 GLN A 23 11.077 20.595 -16.412 1.00 75.23 H new ATOM 0 HG3 GLN A 23 10.141 21.909 -17.096 1.00 75.23 H new ATOM 0 HE21 GLN A 23 10.300 21.123 -19.217 1.00 52.43 H new ATOM 0 HE22 GLN A 23 11.811 21.194 -20.130 1.00 52.43 H new ATOM 339 N GLU A 24 13.582 21.475 -13.444 1.00 2.32 N ATOM 340 CA GLU A 24 14.593 20.532 -12.980 1.00 2.40 C ATOM 341 C GLU A 24 14.688 20.542 -11.457 1.00 33.41 C ATOM 342 O GLU A 24 14.235 21.481 -10.801 1.00 61.10 O ATOM 343 CB GLU A 24 15.956 20.871 -13.589 1.00 34.15 C ATOM 344 CG GLU A 24 15.882 21.301 -15.044 1.00 2.31 C ATOM 345 CD GLU A 24 16.965 20.667 -15.895 1.00 72.32 C ATOM 346 OE1 GLU A 24 16.902 19.439 -16.115 1.00 24.22 O ATOM 347 OE2 GLU A 24 17.874 21.397 -16.341 1.00 51.14 O ATOM 0 H GLU A 24 13.850 22.456 -13.362 1.00 2.32 H new ATOM 0 HA GLU A 24 14.297 19.534 -13.302 1.00 2.40 H new ATOM 0 HB2 GLU A 24 16.417 21.669 -13.006 1.00 34.15 H new ATOM 0 HB3 GLU A 24 16.607 20.001 -13.509 1.00 34.15 H new ATOM 0 HG2 GLU A 24 14.905 21.035 -15.448 1.00 2.31 H new ATOM 0 HG3 GLU A 24 15.967 22.386 -15.103 1.00 2.31 H new ATOM 354 N LEU A 25 15.278 19.490 -10.901 1.00 21.35 N ATOM 355 CA LEU A 25 15.432 19.375 -9.454 1.00 64.04 C ATOM 356 C LEU A 25 16.881 19.611 -9.041 1.00 4.51 C ATOM 357 O LEU A 25 17.773 19.692 -9.885 1.00 51.43 O ATOM 358 CB LEU A 25 14.974 17.995 -8.981 1.00 34.33 C ATOM 359 CG LEU A 25 13.769 17.974 -8.039 1.00 51.33 C ATOM 360 CD1 LEU A 25 12.595 18.718 -8.658 1.00 62.42 C ATOM 361 CD2 LEU A 25 13.378 16.542 -7.704 1.00 5.33 C ATOM 0 H LEU A 25 15.658 18.704 -11.429 1.00 21.35 H new ATOM 0 HA LEU A 25 14.810 20.138 -8.985 1.00 64.04 H new ATOM 0 HB2 LEU A 25 14.735 17.393 -9.858 1.00 34.33 H new ATOM 0 HB3 LEU A 25 15.811 17.509 -8.479 1.00 34.33 H new ATOM 0 HG LEU A 25 14.047 18.479 -7.114 1.00 51.33 H new ATOM 0 HD11 LEU A 25 11.747 18.693 -7.974 1.00 62.42 H new ATOM 0 HD12 LEU A 25 12.879 19.753 -8.846 1.00 62.42 H new ATOM 0 HD13 LEU A 25 12.317 18.241 -9.598 1.00 62.42 H new ATOM 0 HD21 LEU A 25 12.519 16.547 -7.033 1.00 5.33 H new ATOM 0 HD22 LEU A 25 13.119 16.012 -8.620 1.00 5.33 H new ATOM 0 HD23 LEU A 25 14.215 16.040 -7.218 1.00 5.33 H new ATOM 373 N ALA A 26 17.109 19.719 -7.736 1.00 12.41 N ATOM 374 CA ALA A 26 18.450 19.942 -7.210 1.00 51.01 C ATOM 375 C ALA A 26 18.960 18.711 -6.469 1.00 64.11 C ATOM 376 O ALA A 26 18.186 17.983 -5.847 1.00 20.42 O ATOM 377 CB ALA A 26 18.462 21.156 -6.292 1.00 62.44 C ATOM 0 H ALA A 26 16.382 19.656 -7.024 1.00 12.41 H new ATOM 0 HA ALA A 26 19.117 20.130 -8.051 1.00 51.01 H new ATOM 0 HB1 ALA A 26 19.470 21.311 -5.906 1.00 62.44 H new ATOM 0 HB2 ALA A 26 18.148 22.038 -6.851 1.00 62.44 H new ATOM 0 HB3 ALA A 26 17.777 20.990 -5.461 1.00 62.44 H new ATOM 383 N LEU A 27 20.267 18.483 -6.540 1.00 42.20 N ATOM 384 CA LEU A 27 20.882 17.339 -5.876 1.00 34.20 C ATOM 385 C LEU A 27 21.613 17.772 -4.610 1.00 2.24 C ATOM 386 O LEU A 27 21.980 18.938 -4.461 1.00 31.00 O ATOM 387 CB LEU A 27 21.854 16.635 -6.825 1.00 34.04 C ATOM 388 CG LEU A 27 21.252 16.097 -8.123 1.00 64.53 C ATOM 389 CD1 LEU A 27 22.351 15.650 -9.075 1.00 42.03 C ATOM 390 CD2 LEU A 27 20.297 14.948 -7.833 1.00 12.41 C ATOM 0 H LEU A 27 20.921 19.075 -7.051 1.00 42.20 H new ATOM 0 HA LEU A 27 20.090 16.644 -5.596 1.00 34.20 H new ATOM 0 HB2 LEU A 27 22.652 17.333 -7.080 1.00 34.04 H new ATOM 0 HB3 LEU A 27 22.315 15.805 -6.290 1.00 34.04 H new ATOM 0 HG LEU A 27 20.689 16.900 -8.600 1.00 64.53 H new ATOM 0 HD11 LEU A 27 21.904 15.270 -9.994 1.00 42.03 H new ATOM 0 HD12 LEU A 27 22.997 16.497 -9.309 1.00 42.03 H new ATOM 0 HD13 LEU A 27 22.941 14.863 -8.606 1.00 42.03 H new ATOM 0 HD21 LEU A 27 19.878 14.578 -8.769 1.00 12.41 H new ATOM 0 HD22 LEU A 27 20.837 14.143 -7.334 1.00 12.41 H new ATOM 0 HD23 LEU A 27 19.491 15.299 -7.188 1.00 12.41 H new ATOM 402 N ARG A 28 21.824 16.826 -3.701 1.00 32.32 N ATOM 403 CA ARG A 28 22.513 17.110 -2.448 1.00 33.54 C ATOM 404 C ARG A 28 23.642 16.112 -2.210 1.00 63.41 C ATOM 405 O ARG A 28 23.447 14.901 -2.319 1.00 65.14 O ATOM 406 CB ARG A 28 21.527 17.068 -1.278 1.00 50.25 C ATOM 407 CG ARG A 28 22.037 17.764 -0.027 1.00 51.21 C ATOM 408 CD ARG A 28 21.950 19.277 -0.156 1.00 75.12 C ATOM 409 NE ARG A 28 20.661 19.792 0.300 1.00 61.44 N ATOM 410 CZ ARG A 28 20.229 21.022 0.045 1.00 64.23 C ATOM 411 NH1 ARG A 28 20.979 21.859 -0.659 1.00 63.40 N ATOM 412 NH2 ARG A 28 19.045 21.417 0.494 1.00 70.12 N ATOM 0 H ARG A 28 21.528 15.856 -3.809 1.00 32.32 H new ATOM 0 HA ARG A 28 22.943 18.109 -2.517 1.00 33.54 H new ATOM 0 HB2 ARG A 28 20.591 17.533 -1.586 1.00 50.25 H new ATOM 0 HB3 ARG A 28 21.303 16.028 -1.040 1.00 50.25 H new ATOM 0 HG2 ARG A 28 21.455 17.437 0.835 1.00 51.21 H new ATOM 0 HG3 ARG A 28 23.071 17.472 0.157 1.00 51.21 H new ATOM 0 HD2 ARG A 28 22.750 19.737 0.424 1.00 75.12 H new ATOM 0 HD3 ARG A 28 22.107 19.562 -1.196 1.00 75.12 H new ATOM 0 HE ARG A 28 20.060 19.173 0.844 1.00 61.44 H new ATOM 0 HH11 ARG A 28 21.890 21.559 -1.006 1.00 63.40 H new ATOM 0 HH12 ARG A 28 20.645 22.803 -0.853 1.00 63.40 H new ATOM 0 HH21 ARG A 28 18.465 20.776 1.036 1.00 70.12 H new ATOM 0 HH22 ARG A 28 18.714 22.362 0.298 1.00 70.12 H new ATOM 426 N ARG A 29 24.823 16.628 -1.885 1.00 52.33 N ATOM 427 CA ARG A 29 25.984 15.783 -1.634 1.00 52.01 C ATOM 428 C ARG A 29 25.641 14.667 -0.652 1.00 23.23 C ATOM 429 O ARG A 29 24.980 14.898 0.360 1.00 44.12 O ATOM 430 CB ARG A 29 27.142 16.620 -1.088 1.00 61.00 C ATOM 431 CG ARG A 29 28.510 16.016 -1.358 1.00 64.23 C ATOM 432 CD ARG A 29 28.934 15.074 -0.242 1.00 73.21 C ATOM 433 NE ARG A 29 29.594 15.782 0.851 1.00 13.22 N ATOM 434 CZ ARG A 29 30.819 16.287 0.766 1.00 44.22 C ATOM 435 NH1 ARG A 29 31.514 16.163 -0.356 1.00 65.24 N ATOM 436 NH2 ARG A 29 31.352 16.919 1.804 1.00 31.32 N ATOM 0 H ARG A 29 25.001 17.628 -1.789 1.00 52.33 H new ATOM 0 HA ARG A 29 26.285 15.332 -2.579 1.00 52.01 H new ATOM 0 HB2 ARG A 29 27.100 17.615 -1.530 1.00 61.00 H new ATOM 0 HB3 ARG A 29 27.015 16.743 -0.013 1.00 61.00 H new ATOM 0 HG2 ARG A 29 28.490 15.475 -2.304 1.00 64.23 H new ATOM 0 HG3 ARG A 29 29.246 16.813 -1.462 1.00 64.23 H new ATOM 0 HD2 ARG A 29 28.059 14.550 0.142 1.00 73.21 H new ATOM 0 HD3 ARG A 29 29.608 14.317 -0.643 1.00 73.21 H new ATOM 0 HE ARG A 29 29.086 15.895 1.728 1.00 13.22 H new ATOM 0 HH11 ARG A 29 31.108 15.679 -1.157 1.00 65.24 H new ATOM 0 HH12 ARG A 29 32.455 16.552 -0.419 1.00 65.24 H new ATOM 0 HH21 ARG A 29 30.820 17.017 2.669 1.00 31.32 H new ATOM 0 HH22 ARG A 29 32.293 17.306 1.737 1.00 31.32 H new ATOM 450 N ASN A 30 26.096 13.456 -0.958 1.00 74.10 N ATOM 451 CA ASN A 30 25.836 12.303 -0.103 1.00 3.42 C ATOM 452 C ASN A 30 24.337 12.069 0.055 1.00 50.14 C ATOM 453 O ASN A 30 23.820 12.024 1.170 1.00 21.23 O ATOM 454 CB ASN A 30 26.479 12.507 1.271 1.00 60.52 C ATOM 455 CG ASN A 30 27.945 12.117 1.287 1.00 54.14 C ATOM 456 OD1 ASN A 30 28.434 11.462 0.367 1.00 62.25 O ATOM 457 ND2 ASN A 30 28.652 12.520 2.336 1.00 63.15 N ATOM 0 H ASN A 30 26.646 13.248 -1.791 1.00 74.10 H new ATOM 0 HA ASN A 30 26.274 11.425 -0.576 1.00 3.42 H new ATOM 0 HB2 ASN A 30 26.381 13.552 1.564 1.00 60.52 H new ATOM 0 HB3 ASN A 30 25.941 11.917 2.012 1.00 60.52 H new ATOM 0 HD21 ASN A 30 29.643 12.288 2.403 1.00 63.15 H new ATOM 0 HD22 ASN A 30 28.204 13.061 3.075 1.00 63.15 H new ATOM 464 N GLU A 31 23.645 11.920 -1.071 1.00 3.40 N ATOM 465 CA GLU A 31 22.205 11.691 -1.057 1.00 64.12 C ATOM 466 C GLU A 31 21.801 10.704 -2.149 1.00 43.30 C ATOM 467 O GLU A 31 22.425 10.645 -3.208 1.00 5.32 O ATOM 468 CB GLU A 31 21.454 13.011 -1.244 1.00 24.10 C ATOM 469 CG GLU A 31 19.989 12.939 -0.848 1.00 61.34 C ATOM 470 CD GLU A 31 19.787 12.992 0.653 1.00 10.45 C ATOM 471 OE1 GLU A 31 19.700 14.111 1.201 1.00 4.05 O ATOM 472 OE2 GLU A 31 19.715 11.915 1.281 1.00 61.33 O ATOM 0 H GLU A 31 24.058 11.954 -2.003 1.00 3.40 H new ATOM 0 HA GLU A 31 21.940 11.265 -0.089 1.00 64.12 H new ATOM 0 HB2 GLU A 31 21.944 13.785 -0.653 1.00 24.10 H new ATOM 0 HB3 GLU A 31 21.525 13.315 -2.288 1.00 24.10 H new ATOM 0 HG2 GLU A 31 19.450 13.765 -1.313 1.00 61.34 H new ATOM 0 HG3 GLU A 31 19.556 12.017 -1.237 1.00 61.34 H new ATOM 479 N GLU A 32 20.753 9.931 -1.882 1.00 2.53 N ATOM 480 CA GLU A 32 20.267 8.947 -2.841 1.00 32.53 C ATOM 481 C GLU A 32 19.015 9.452 -3.553 1.00 3.14 C ATOM 482 O GLU A 32 18.240 10.228 -2.993 1.00 22.12 O ATOM 483 CB GLU A 32 19.966 7.622 -2.137 1.00 23.43 C ATOM 484 CG GLU A 32 21.125 6.640 -2.167 1.00 63.44 C ATOM 485 CD GLU A 32 21.101 5.671 -1.001 1.00 14.44 C ATOM 486 OE1 GLU A 32 19.997 5.233 -0.616 1.00 14.23 O ATOM 487 OE2 GLU A 32 22.186 5.352 -0.473 1.00 25.14 O ATOM 0 H GLU A 32 20.225 9.967 -1.010 1.00 2.53 H new ATOM 0 HA GLU A 32 21.047 8.787 -3.585 1.00 32.53 H new ATOM 0 HB2 GLU A 32 19.699 7.824 -1.100 1.00 23.43 H new ATOM 0 HB3 GLU A 32 19.097 7.160 -2.606 1.00 23.43 H new ATOM 0 HG2 GLU A 32 21.096 6.079 -3.101 1.00 63.44 H new ATOM 0 HG3 GLU A 32 22.064 7.193 -2.156 1.00 63.44 H new ATOM 494 N TYR A 33 18.826 9.008 -4.790 1.00 35.52 N ATOM 495 CA TYR A 33 17.671 9.417 -5.580 1.00 75.42 C ATOM 496 C TYR A 33 17.118 8.244 -6.384 1.00 72.24 C ATOM 497 O TYR A 33 17.865 7.525 -7.049 1.00 43.31 O ATOM 498 CB TYR A 33 18.050 10.561 -6.521 1.00 53.23 C ATOM 499 CG TYR A 33 18.429 11.836 -5.802 1.00 52.02 C ATOM 500 CD1 TYR A 33 17.459 12.752 -5.413 1.00 71.03 C ATOM 501 CD2 TYR A 33 19.756 12.125 -5.513 1.00 4.34 C ATOM 502 CE1 TYR A 33 17.800 13.918 -4.757 1.00 5.53 C ATOM 503 CE2 TYR A 33 20.107 13.289 -4.855 1.00 60.51 C ATOM 504 CZ TYR A 33 19.126 14.182 -4.479 1.00 73.04 C ATOM 505 OH TYR A 33 19.471 15.342 -3.826 1.00 10.54 O ATOM 0 H TYR A 33 19.457 8.365 -5.268 1.00 35.52 H new ATOM 0 HA TYR A 33 16.897 9.761 -4.894 1.00 75.42 H new ATOM 0 HB2 TYR A 33 18.885 10.245 -7.146 1.00 53.23 H new ATOM 0 HB3 TYR A 33 17.212 10.765 -7.187 1.00 53.23 H new ATOM 0 HD1 TYR A 33 16.420 12.548 -5.628 1.00 71.03 H new ATOM 0 HD2 TYR A 33 20.527 11.428 -5.807 1.00 4.34 H new ATOM 0 HE1 TYR A 33 17.033 14.620 -4.463 1.00 5.53 H new ATOM 0 HE2 TYR A 33 21.144 13.498 -4.637 1.00 60.51 H new ATOM 0 HH TYR A 33 19.169 15.296 -2.895 1.00 10.54 H new ATOM 515 N CYS A 34 15.804 8.057 -6.319 1.00 3.20 N ATOM 516 CA CYS A 34 15.149 6.972 -7.041 1.00 23.25 C ATOM 517 C CYS A 34 15.057 7.287 -8.530 1.00 10.01 C ATOM 518 O CYS A 34 14.250 8.117 -8.951 1.00 4.40 O ATOM 519 CB CYS A 34 13.752 6.724 -6.472 1.00 35.14 C ATOM 520 SG CYS A 34 13.551 5.109 -5.684 1.00 72.32 S ATOM 0 H CYS A 34 15.172 8.643 -5.774 1.00 3.20 H new ATOM 0 HA CYS A 34 15.749 6.071 -6.916 1.00 23.25 H new ATOM 0 HB2 CYS A 34 13.525 7.502 -5.744 1.00 35.14 H new ATOM 0 HB3 CYS A 34 13.022 6.817 -7.276 1.00 35.14 H new ATOM 0 HG CYS A 34 12.337 4.995 -5.232 1.00 72.32 H new ATOM 526 N LEU A 35 15.889 6.621 -9.323 1.00 34.51 N ATOM 527 CA LEU A 35 15.902 6.830 -10.766 1.00 44.45 C ATOM 528 C LEU A 35 14.548 6.490 -11.379 1.00 73.43 C ATOM 529 O LEU A 35 13.955 5.456 -11.066 1.00 50.23 O ATOM 530 CB LEU A 35 16.997 5.980 -11.415 1.00 15.42 C ATOM 531 CG LEU A 35 17.650 6.568 -12.666 1.00 50.01 C ATOM 532 CD1 LEU A 35 16.625 6.731 -13.777 1.00 73.45 C ATOM 533 CD2 LEU A 35 18.309 7.902 -12.347 1.00 64.21 C ATOM 0 H LEU A 35 16.563 5.932 -8.991 1.00 34.51 H new ATOM 0 HA LEU A 35 16.110 7.884 -10.953 1.00 44.45 H new ATOM 0 HB2 LEU A 35 17.776 5.799 -10.674 1.00 15.42 H new ATOM 0 HB3 LEU A 35 16.571 5.010 -11.673 1.00 15.42 H new ATOM 0 HG LEU A 35 18.420 5.877 -13.009 1.00 50.01 H new ATOM 0 HD11 LEU A 35 17.108 7.151 -14.659 1.00 73.45 H new ATOM 0 HD12 LEU A 35 16.199 5.759 -14.025 1.00 73.45 H new ATOM 0 HD13 LEU A 35 15.832 7.401 -13.445 1.00 73.45 H new ATOM 0 HD21 LEU A 35 18.769 8.306 -13.249 1.00 64.21 H new ATOM 0 HD22 LEU A 35 17.557 8.600 -11.979 1.00 64.21 H new ATOM 0 HD23 LEU A 35 19.074 7.757 -11.584 1.00 64.21 H new ATOM 545 N LEU A 36 14.064 7.363 -12.255 1.00 51.41 N ATOM 546 CA LEU A 36 12.780 7.154 -12.915 1.00 14.44 C ATOM 547 C LEU A 36 12.950 7.084 -14.429 1.00 21.33 C ATOM 548 O LEU A 36 12.459 6.159 -15.076 1.00 53.02 O ATOM 549 CB LEU A 36 11.808 8.279 -12.551 1.00 44.12 C ATOM 550 CG LEU A 36 11.241 8.243 -11.132 1.00 14.10 C ATOM 551 CD1 LEU A 36 11.841 9.357 -10.289 1.00 13.25 C ATOM 552 CD2 LEU A 36 9.723 8.353 -11.162 1.00 21.42 C ATOM 0 H LEU A 36 14.541 8.223 -12.525 1.00 51.41 H new ATOM 0 HA LEU A 36 12.373 6.204 -12.570 1.00 14.44 H new ATOM 0 HB2 LEU A 36 12.317 9.232 -12.693 1.00 44.12 H new ATOM 0 HB3 LEU A 36 10.975 8.254 -13.254 1.00 44.12 H new ATOM 0 HG LEU A 36 11.508 7.288 -10.679 1.00 14.10 H new ATOM 0 HD11 LEU A 36 11.425 9.315 -9.282 1.00 13.25 H new ATOM 0 HD12 LEU A 36 12.923 9.234 -10.240 1.00 13.25 H new ATOM 0 HD13 LEU A 36 11.605 10.321 -10.739 1.00 13.25 H new ATOM 0 HD21 LEU A 36 9.336 8.326 -10.143 1.00 21.42 H new ATOM 0 HD22 LEU A 36 9.436 9.292 -11.634 1.00 21.42 H new ATOM 0 HD23 LEU A 36 9.309 7.520 -11.730 1.00 21.42 H new ATOM 564 N ASP A 37 13.651 8.065 -14.986 1.00 72.13 N ATOM 565 CA ASP A 37 13.889 8.113 -16.424 1.00 64.52 C ATOM 566 C ASP A 37 15.340 8.479 -16.722 1.00 71.24 C ATOM 567 O ASP A 37 15.798 9.569 -16.380 1.00 62.25 O ATOM 568 CB ASP A 37 12.949 9.122 -17.086 1.00 23.54 C ATOM 569 CG ASP A 37 12.216 8.535 -18.276 1.00 13.41 C ATOM 570 OD1 ASP A 37 12.886 8.168 -19.263 1.00 21.40 O ATOM 571 OD2 ASP A 37 10.971 8.445 -18.221 1.00 2.24 O ATOM 0 H ASP A 37 14.064 8.838 -14.464 1.00 72.13 H new ATOM 0 HA ASP A 37 13.691 7.122 -16.833 1.00 64.52 H new ATOM 0 HB2 ASP A 37 12.223 9.473 -16.353 1.00 23.54 H new ATOM 0 HB3 ASP A 37 13.522 9.991 -17.409 1.00 23.54 H new ATOM 576 N SER A 38 16.058 7.560 -17.361 1.00 54.21 N ATOM 577 CA SER A 38 17.458 7.784 -17.701 1.00 52.41 C ATOM 578 C SER A 38 17.684 7.629 -19.202 1.00 21.52 C ATOM 579 O SER A 38 18.065 6.558 -19.675 1.00 43.24 O ATOM 580 CB SER A 38 18.353 6.809 -16.935 1.00 21.22 C ATOM 581 OG SER A 38 17.787 5.510 -16.909 1.00 21.12 O ATOM 0 H SER A 38 15.693 6.654 -17.653 1.00 54.21 H new ATOM 0 HA SER A 38 17.717 8.804 -17.416 1.00 52.41 H new ATOM 0 HB2 SER A 38 19.337 6.771 -17.401 1.00 21.22 H new ATOM 0 HB3 SER A 38 18.497 7.167 -15.916 1.00 21.22 H new ATOM 0 HG SER A 38 17.627 5.204 -17.826 1.00 21.12 H new ATOM 587 N SER A 39 17.446 8.705 -19.945 1.00 21.24 N ATOM 588 CA SER A 39 17.620 8.688 -21.392 1.00 72.04 C ATOM 589 C SER A 39 19.065 8.999 -21.770 1.00 11.52 C ATOM 590 O SER A 39 19.659 8.319 -22.605 1.00 42.23 O ATOM 591 CB SER A 39 16.679 9.699 -22.052 1.00 24.52 C ATOM 592 OG SER A 39 16.493 9.401 -23.425 1.00 3.41 O ATOM 0 H SER A 39 17.132 9.599 -19.568 1.00 21.24 H new ATOM 0 HA SER A 39 17.377 7.688 -21.750 1.00 72.04 H new ATOM 0 HB2 SER A 39 15.716 9.692 -21.541 1.00 24.52 H new ATOM 0 HB3 SER A 39 17.088 10.704 -21.947 1.00 24.52 H new ATOM 0 HG SER A 39 15.887 10.060 -23.824 1.00 3.41 H new ATOM 598 N GLU A 40 19.623 10.033 -21.147 1.00 51.02 N ATOM 599 CA GLU A 40 20.998 10.436 -21.418 1.00 70.43 C ATOM 600 C GLU A 40 21.521 11.359 -20.322 1.00 31.14 C ATOM 601 O GLU A 40 20.745 11.935 -19.559 1.00 12.40 O ATOM 602 CB GLU A 40 21.090 11.135 -22.776 1.00 52.20 C ATOM 603 CG GLU A 40 22.286 10.700 -23.605 1.00 61.14 C ATOM 604 CD GLU A 40 21.894 10.225 -24.991 1.00 34.41 C ATOM 605 OE1 GLU A 40 21.236 9.167 -25.090 1.00 41.45 O ATOM 606 OE2 GLU A 40 22.244 10.909 -25.975 1.00 34.02 O ATOM 0 H GLU A 40 19.144 10.606 -20.452 1.00 51.02 H new ATOM 0 HA GLU A 40 21.615 9.538 -21.437 1.00 70.43 H new ATOM 0 HB2 GLU A 40 20.178 10.938 -23.339 1.00 52.20 H new ATOM 0 HB3 GLU A 40 21.141 12.212 -22.618 1.00 52.20 H new ATOM 0 HG2 GLU A 40 22.984 11.533 -23.694 1.00 61.14 H new ATOM 0 HG3 GLU A 40 22.811 9.899 -23.085 1.00 61.14 H new ATOM 613 N ILE A 41 22.841 11.493 -20.249 1.00 52.11 N ATOM 614 CA ILE A 41 23.467 12.346 -19.247 1.00 4.12 C ATOM 615 C ILE A 41 22.911 13.765 -19.307 1.00 21.42 C ATOM 616 O ILE A 41 22.999 14.519 -18.337 1.00 52.04 O ATOM 617 CB ILE A 41 24.996 12.398 -19.428 1.00 11.01 C ATOM 618 CG1 ILE A 41 25.641 13.176 -18.279 1.00 43.03 C ATOM 619 CG2 ILE A 41 25.350 13.029 -20.767 1.00 35.44 C ATOM 620 CD1 ILE A 41 25.874 14.637 -18.595 1.00 24.10 C ATOM 0 H ILE A 41 23.497 11.022 -20.872 1.00 52.11 H new ATOM 0 HA ILE A 41 23.239 11.910 -18.275 1.00 4.12 H new ATOM 0 HB ILE A 41 25.384 11.379 -19.415 1.00 11.01 H new ATOM 0 HG12 ILE A 41 25.005 13.100 -17.397 1.00 43.03 H new ATOM 0 HG13 ILE A 41 26.594 12.711 -18.026 1.00 43.03 H new ATOM 0 HG21 ILE A 41 26.434 13.059 -20.880 1.00 35.44 H new ATOM 0 HG22 ILE A 41 24.917 12.438 -21.574 1.00 35.44 H new ATOM 0 HG23 ILE A 41 24.953 14.043 -20.807 1.00 35.44 H new ATOM 0 HD11 ILE A 41 26.333 15.126 -17.736 1.00 24.10 H new ATOM 0 HD12 ILE A 41 26.535 14.722 -19.458 1.00 24.10 H new ATOM 0 HD13 ILE A 41 24.922 15.117 -18.819 1.00 24.10 H new ATOM 632 N HIS A 42 22.337 14.121 -20.451 1.00 53.43 N ATOM 633 CA HIS A 42 21.763 15.449 -20.637 1.00 41.44 C ATOM 634 C HIS A 42 20.748 15.761 -19.542 1.00 4.44 C ATOM 635 O HIS A 42 20.772 16.841 -18.950 1.00 31.41 O ATOM 636 CB HIS A 42 21.097 15.553 -22.010 1.00 30.42 C ATOM 637 CG HIS A 42 21.993 15.154 -23.142 1.00 10.31 C ATOM 638 ND1 HIS A 42 23.369 15.221 -23.073 1.00 15.45 N ATOM 639 CD2 HIS A 42 21.703 14.680 -24.376 1.00 53.41 C ATOM 640 CE1 HIS A 42 23.886 14.808 -24.216 1.00 35.34 C ATOM 641 NE2 HIS A 42 22.896 14.473 -25.024 1.00 13.13 N ATOM 0 H HIS A 42 22.257 13.509 -21.263 1.00 53.43 H new ATOM 0 HA HIS A 42 22.571 16.178 -20.577 1.00 41.44 H new ATOM 0 HB2 HIS A 42 20.208 14.923 -22.022 1.00 30.42 H new ATOM 0 HB3 HIS A 42 20.763 16.579 -22.166 1.00 30.42 H new ATOM 0 HD2 HIS A 42 20.717 14.498 -24.777 1.00 53.41 H new ATOM 0 HE1 HIS A 42 24.939 14.753 -24.450 1.00 35.34 H new ATOM 0 HE2 HIS A 42 23.001 14.118 -25.975 1.00 13.13 H new ATOM 649 N TRP A 43 19.859 14.811 -19.278 1.00 24.14 N ATOM 650 CA TRP A 43 18.836 14.985 -18.253 1.00 53.13 C ATOM 651 C TRP A 43 18.416 13.641 -17.669 1.00 70.10 C ATOM 652 O TRP A 43 18.083 12.711 -18.404 1.00 51.31 O ATOM 653 CB TRP A 43 17.618 15.704 -18.837 1.00 3.12 C ATOM 654 CG TRP A 43 16.965 14.952 -19.957 1.00 12.34 C ATOM 655 CD1 TRP A 43 17.191 15.113 -21.294 1.00 0.32 C ATOM 656 CD2 TRP A 43 15.977 13.923 -19.836 1.00 12.10 C ATOM 657 NE1 TRP A 43 16.403 14.246 -22.012 1.00 2.23 N ATOM 658 CE2 TRP A 43 15.650 13.504 -21.141 1.00 11.54 C ATOM 659 CE3 TRP A 43 15.338 13.313 -18.753 1.00 62.11 C ATOM 660 CZ2 TRP A 43 14.712 12.506 -21.388 1.00 62.55 C ATOM 661 CZ3 TRP A 43 14.408 12.322 -19.001 1.00 34.12 C ATOM 662 CH2 TRP A 43 14.102 11.925 -20.310 1.00 2.54 C ATOM 0 H TRP A 43 19.825 13.912 -19.759 1.00 24.14 H new ATOM 0 HA TRP A 43 19.259 15.592 -17.452 1.00 53.13 H new ATOM 0 HB2 TRP A 43 16.888 15.868 -18.045 1.00 3.12 H new ATOM 0 HB3 TRP A 43 17.923 16.686 -19.198 1.00 3.12 H new ATOM 0 HD1 TRP A 43 17.887 15.818 -21.724 1.00 0.32 H new ATOM 0 HE1 TRP A 43 16.382 14.168 -23.029 1.00 2.23 H new ATOM 0 HE3 TRP A 43 15.567 13.611 -17.741 1.00 62.11 H new ATOM 0 HZ2 TRP A 43 14.474 12.201 -22.396 1.00 62.55 H new ATOM 0 HZ3 TRP A 43 13.908 11.845 -18.171 1.00 34.12 H new ATOM 0 HH2 TRP A 43 13.371 11.146 -20.471 1.00 2.54 H new ATOM 673 N TRP A 44 18.434 13.545 -16.345 1.00 11.14 N ATOM 674 CA TRP A 44 18.054 12.313 -15.662 1.00 44.04 C ATOM 675 C TRP A 44 16.908 12.561 -14.689 1.00 34.03 C ATOM 676 O TRP A 44 17.043 13.334 -13.740 1.00 71.11 O ATOM 677 CB TRP A 44 19.255 11.728 -14.917 1.00 61.21 C ATOM 678 CG TRP A 44 19.991 10.685 -15.703 1.00 3.22 C ATOM 679 CD1 TRP A 44 20.061 10.581 -17.063 1.00 34.33 C ATOM 680 CD2 TRP A 44 20.761 9.599 -15.175 1.00 75.02 C ATOM 681 NE1 TRP A 44 20.827 9.495 -17.412 1.00 74.23 N ATOM 682 CE2 TRP A 44 21.268 8.877 -16.273 1.00 24.53 C ATOM 683 CE3 TRP A 44 21.071 9.168 -13.883 1.00 25.50 C ATOM 684 CZ2 TRP A 44 22.068 7.748 -16.115 1.00 33.54 C ATOM 685 CZ3 TRP A 44 21.865 8.047 -13.728 1.00 33.32 C ATOM 686 CH2 TRP A 44 22.356 7.347 -14.838 1.00 42.52 C ATOM 0 H TRP A 44 18.708 14.305 -15.722 1.00 11.14 H new ATOM 0 HA TRP A 44 17.718 11.599 -16.414 1.00 44.04 H new ATOM 0 HB2 TRP A 44 19.943 12.534 -14.662 1.00 61.21 H new ATOM 0 HB3 TRP A 44 18.914 11.292 -13.978 1.00 61.21 H new ATOM 0 HD1 TRP A 44 19.585 11.253 -17.761 1.00 34.33 H new ATOM 0 HE1 TRP A 44 21.034 9.197 -18.366 1.00 74.23 H new ATOM 0 HE3 TRP A 44 20.697 9.701 -13.021 1.00 25.50 H new ATOM 0 HZ2 TRP A 44 22.448 7.208 -16.970 1.00 33.54 H new ATOM 0 HZ3 TRP A 44 22.111 7.705 -12.734 1.00 33.32 H new ATOM 0 HH2 TRP A 44 22.973 6.474 -14.683 1.00 42.52 H new ATOM 697 N ARG A 45 15.780 11.901 -14.929 1.00 74.23 N ATOM 698 CA ARG A 45 14.609 12.051 -14.073 1.00 50.13 C ATOM 699 C ARG A 45 14.720 11.161 -12.839 1.00 2.22 C ATOM 700 O ARG A 45 14.722 9.934 -12.943 1.00 2.51 O ATOM 701 CB ARG A 45 13.336 11.708 -14.849 1.00 50.33 C ATOM 702 CG ARG A 45 12.451 12.912 -15.130 1.00 62.24 C ATOM 703 CD ARG A 45 11.340 13.039 -14.101 1.00 34.44 C ATOM 704 NE ARG A 45 10.197 13.787 -14.618 1.00 31.40 N ATOM 705 CZ ARG A 45 9.281 14.358 -13.844 1.00 20.12 C ATOM 706 NH1 ARG A 45 9.374 14.268 -12.524 1.00 73.43 N ATOM 707 NH2 ARG A 45 8.270 15.022 -14.389 1.00 70.24 N ATOM 0 H ARG A 45 15.652 11.257 -15.709 1.00 74.23 H new ATOM 0 HA ARG A 45 14.559 13.090 -13.747 1.00 50.13 H new ATOM 0 HB2 ARG A 45 13.612 11.242 -15.795 1.00 50.33 H new ATOM 0 HB3 ARG A 45 12.764 10.971 -14.285 1.00 50.33 H new ATOM 0 HG2 ARG A 45 13.056 13.818 -15.127 1.00 62.24 H new ATOM 0 HG3 ARG A 45 12.017 12.822 -16.126 1.00 62.24 H new ATOM 0 HD2 ARG A 45 11.014 12.045 -13.795 1.00 34.44 H new ATOM 0 HD3 ARG A 45 11.726 13.536 -13.211 1.00 34.44 H new ATOM 0 HE ARG A 45 10.097 13.876 -15.629 1.00 31.40 H new ATOM 0 HH11 ARG A 45 10.150 13.759 -12.101 1.00 73.43 H new ATOM 0 HH12 ARG A 45 8.669 14.707 -11.932 1.00 73.43 H new ATOM 0 HH21 ARG A 45 8.195 15.095 -15.404 1.00 70.24 H new ATOM 0 HH22 ARG A 45 7.567 15.460 -13.793 1.00 70.24 H new ATOM 721 N VAL A 46 14.813 11.788 -11.670 1.00 63.12 N ATOM 722 CA VAL A 46 14.924 11.053 -10.416 1.00 4.54 C ATOM 723 C VAL A 46 13.951 11.594 -9.374 1.00 42.42 C ATOM 724 O VAL A 46 13.388 12.676 -9.540 1.00 71.12 O ATOM 725 CB VAL A 46 16.355 11.122 -9.850 1.00 2.33 C ATOM 726 CG1 VAL A 46 17.361 10.634 -10.881 1.00 24.24 C ATOM 727 CG2 VAL A 46 16.683 12.539 -9.402 1.00 61.22 C ATOM 0 H VAL A 46 14.814 12.803 -11.566 1.00 63.12 H new ATOM 0 HA VAL A 46 14.677 10.014 -10.635 1.00 4.54 H new ATOM 0 HB VAL A 46 16.415 10.467 -8.981 1.00 2.33 H new ATOM 0 HG11 VAL A 46 18.366 10.690 -10.463 1.00 24.24 H new ATOM 0 HG12 VAL A 46 17.136 9.602 -11.148 1.00 24.24 H new ATOM 0 HG13 VAL A 46 17.303 11.260 -11.771 1.00 24.24 H new ATOM 0 HG21 VAL A 46 17.698 12.569 -9.005 1.00 61.22 H new ATOM 0 HG22 VAL A 46 16.606 13.217 -10.252 1.00 61.22 H new ATOM 0 HG23 VAL A 46 15.981 12.847 -8.627 1.00 61.22 H new ATOM 737 N GLN A 47 13.759 10.835 -8.301 1.00 21.52 N ATOM 738 CA GLN A 47 12.853 11.238 -7.232 1.00 3.21 C ATOM 739 C GLN A 47 13.583 11.301 -5.894 1.00 63.23 C ATOM 740 O GLN A 47 14.430 10.458 -5.598 1.00 45.03 O ATOM 741 CB GLN A 47 11.676 10.267 -7.139 1.00 34.54 C ATOM 742 CG GLN A 47 10.793 10.495 -5.922 1.00 40.21 C ATOM 743 CD GLN A 47 9.396 9.934 -6.101 1.00 1.02 C ATOM 744 OE1 GLN A 47 8.389 10.746 -5.802 1.00 33.13 O flip ATOM 745 NE2 GLN A 47 9.224 8.783 -6.503 1.00 51.21 N flip ATOM 0 H GLN A 47 14.219 9.937 -8.148 1.00 21.52 H new ATOM 0 HA GLN A 47 12.476 12.233 -7.466 1.00 3.21 H new ATOM 0 HB2 GLN A 47 11.069 10.358 -8.040 1.00 34.54 H new ATOM 0 HB3 GLN A 47 12.059 9.247 -7.114 1.00 34.54 H new ATOM 0 HG2 GLN A 47 11.257 10.034 -5.050 1.00 40.21 H new ATOM 0 HG3 GLN A 47 10.728 11.564 -5.720 1.00 40.21 H new ATOM 0 HE21 GLN A 47 10.027 8.194 -6.721 1.00 51.21 H new ATOM 0 HE22 GLN A 47 8.278 8.419 -6.618 1.00 51.21 H new ATOM 754 N ASP A 48 13.250 12.304 -5.090 1.00 55.34 N ATOM 755 CA ASP A 48 13.873 12.477 -3.783 1.00 70.33 C ATOM 756 C ASP A 48 13.277 11.510 -2.765 1.00 73.11 C ATOM 757 O ASP A 48 12.454 10.660 -3.109 1.00 5.44 O ATOM 758 CB ASP A 48 13.701 13.917 -3.299 1.00 2.23 C ATOM 759 CG ASP A 48 14.350 14.923 -4.230 1.00 31.52 C ATOM 760 OD1 ASP A 48 14.887 14.502 -5.276 1.00 54.24 O ATOM 761 OD2 ASP A 48 14.320 16.130 -3.912 1.00 70.25 O ATOM 0 H ASP A 48 12.551 13.011 -5.320 1.00 55.34 H new ATOM 0 HA ASP A 48 14.937 12.261 -3.883 1.00 70.33 H new ATOM 0 HB2 ASP A 48 12.638 14.142 -3.209 1.00 2.23 H new ATOM 0 HB3 ASP A 48 14.133 14.017 -2.303 1.00 2.23 H new ATOM 766 N ARG A 49 13.698 11.645 -1.512 1.00 34.43 N ATOM 767 CA ARG A 49 13.207 10.782 -0.444 1.00 60.41 C ATOM 768 C ARG A 49 12.021 11.422 0.272 1.00 45.44 C ATOM 769 O ARG A 49 11.659 11.020 1.376 1.00 61.40 O ATOM 770 CB ARG A 49 14.325 10.490 0.559 1.00 73.42 C ATOM 771 CG ARG A 49 14.834 11.727 1.280 1.00 64.31 C ATOM 772 CD ARG A 49 16.286 11.566 1.703 1.00 43.30 C ATOM 773 NE ARG A 49 16.409 10.906 3.000 1.00 53.30 N ATOM 774 CZ ARG A 49 16.111 11.493 4.154 1.00 34.30 C ATOM 775 NH1 ARG A 49 15.675 12.745 4.172 1.00 34.41 N ATOM 776 NH2 ARG A 49 16.248 10.826 5.293 1.00 1.32 N ATOM 0 H ARG A 49 14.378 12.343 -1.211 1.00 34.43 H new ATOM 0 HA ARG A 49 12.876 9.845 -0.892 1.00 60.41 H new ATOM 0 HB2 ARG A 49 13.962 9.774 1.296 1.00 73.42 H new ATOM 0 HB3 ARG A 49 15.156 10.017 0.036 1.00 73.42 H new ATOM 0 HG2 ARG A 49 14.738 12.595 0.628 1.00 64.31 H new ATOM 0 HG3 ARG A 49 14.217 11.918 2.158 1.00 64.31 H new ATOM 0 HD2 ARG A 49 16.821 10.987 0.950 1.00 43.30 H new ATOM 0 HD3 ARG A 49 16.761 12.546 1.749 1.00 43.30 H new ATOM 0 HE ARG A 49 16.742 9.942 3.021 1.00 53.30 H new ATOM 0 HH11 ARG A 49 15.568 13.260 3.298 1.00 34.41 H new ATOM 0 HH12 ARG A 49 15.447 13.193 5.060 1.00 34.41 H new ATOM 0 HH21 ARG A 49 16.582 9.862 5.283 1.00 1.32 H new ATOM 0 HH22 ARG A 49 16.019 11.277 6.179 1.00 1.32 H new ATOM 790 N ASN A 50 11.422 12.423 -0.366 1.00 62.32 N ATOM 791 CA ASN A 50 10.278 13.120 0.210 1.00 43.21 C ATOM 792 C ASN A 50 9.039 12.945 -0.662 1.00 52.23 C ATOM 793 O ASN A 50 7.910 13.017 -0.177 1.00 64.23 O ATOM 794 CB ASN A 50 10.593 14.608 0.376 1.00 13.32 C ATOM 795 CG ASN A 50 11.949 14.845 1.012 1.00 10.10 C ATOM 796 OD1 ASN A 50 12.055 15.030 2.225 1.00 53.35 O ATOM 797 ND2 ASN A 50 12.995 14.840 0.194 1.00 52.54 N ATOM 0 H ASN A 50 11.710 12.769 -1.281 1.00 62.32 H new ATOM 0 HA ASN A 50 10.075 12.687 1.189 1.00 43.21 H new ATOM 0 HB2 ASN A 50 10.562 15.094 -0.599 1.00 13.32 H new ATOM 0 HB3 ASN A 50 9.821 15.074 0.989 1.00 13.32 H new ATOM 0 HD21 ASN A 50 13.933 14.994 0.564 1.00 52.54 H new ATOM 0 HD22 ASN A 50 12.861 14.683 -0.805 1.00 52.54 H new ATOM 804 N GLY A 51 9.258 12.715 -1.953 1.00 71.34 N ATOM 805 CA GLY A 51 8.150 12.533 -2.873 1.00 30.52 C ATOM 806 C GLY A 51 8.154 13.552 -3.995 1.00 12.05 C ATOM 807 O GLY A 51 7.104 13.882 -4.547 1.00 12.32 O ATOM 0 H GLY A 51 10.183 12.651 -2.378 1.00 71.34 H new ATOM 0 HA2 GLY A 51 8.195 11.530 -3.297 1.00 30.52 H new ATOM 0 HA3 GLY A 51 7.211 12.605 -2.324 1.00 30.52 H new ATOM 811 N HIS A 52 9.338 14.054 -4.332 1.00 15.00 N ATOM 812 CA HIS A 52 9.473 15.044 -5.395 1.00 24.41 C ATOM 813 C HIS A 52 10.357 14.514 -6.520 1.00 72.05 C ATOM 814 O HIS A 52 11.495 14.109 -6.289 1.00 63.53 O ATOM 815 CB HIS A 52 10.059 16.342 -4.840 1.00 14.43 C ATOM 816 CG HIS A 52 9.348 16.847 -3.621 1.00 64.43 C ATOM 817 ND1 HIS A 52 9.883 16.770 -2.353 1.00 4.33 N ATOM 818 CD2 HIS A 52 8.139 17.439 -3.483 1.00 30.50 C ATOM 819 CE1 HIS A 52 9.033 17.292 -1.487 1.00 21.35 C ATOM 820 NE2 HIS A 52 7.966 17.705 -2.147 1.00 5.10 N ATOM 0 H HIS A 52 10.217 13.792 -3.885 1.00 15.00 H new ATOM 0 HA HIS A 52 8.481 15.246 -5.799 1.00 24.41 H new ATOM 0 HB2 HIS A 52 11.110 16.182 -4.598 1.00 14.43 H new ATOM 0 HB3 HIS A 52 10.023 17.108 -5.615 1.00 14.43 H new ATOM 0 HD2 HIS A 52 7.440 17.661 -4.276 1.00 30.50 H new ATOM 0 HE1 HIS A 52 9.185 17.368 -0.420 1.00 21.35 H new ATOM 0 HE2 HIS A 52 7.147 18.149 -1.732 1.00 5.10 H new ATOM 828 N GLU A 53 9.823 14.520 -7.738 1.00 42.41 N ATOM 829 CA GLU A 53 10.564 14.039 -8.898 1.00 74.24 C ATOM 830 C GLU A 53 10.929 15.193 -9.828 1.00 73.40 C ATOM 831 O GLU A 53 10.116 16.081 -10.081 1.00 4.21 O ATOM 832 CB GLU A 53 9.741 12.997 -9.659 1.00 63.24 C ATOM 833 CG GLU A 53 9.128 11.933 -8.764 1.00 52.42 C ATOM 834 CD GLU A 53 7.634 12.117 -8.580 1.00 11.14 C ATOM 835 OE1 GLU A 53 6.869 11.672 -9.461 1.00 12.22 O ATOM 836 OE2 GLU A 53 7.230 12.705 -7.555 1.00 41.40 O ATOM 0 H GLU A 53 8.881 14.852 -7.946 1.00 42.41 H new ATOM 0 HA GLU A 53 11.485 13.577 -8.543 1.00 74.24 H new ATOM 0 HB2 GLU A 53 8.945 13.503 -10.205 1.00 63.24 H new ATOM 0 HB3 GLU A 53 10.378 12.514 -10.400 1.00 63.24 H new ATOM 0 HG2 GLU A 53 9.319 10.949 -9.192 1.00 52.42 H new ATOM 0 HG3 GLU A 53 9.616 11.957 -7.790 1.00 52.42 H new ATOM 843 N GLY A 54 12.158 15.171 -10.334 1.00 3.33 N ATOM 844 CA GLY A 54 12.611 16.220 -11.229 1.00 15.32 C ATOM 845 C GLY A 54 13.765 15.777 -12.105 1.00 61.21 C ATOM 846 O GLY A 54 14.152 14.608 -12.090 1.00 31.01 O ATOM 0 H GLY A 54 12.848 14.445 -10.140 1.00 3.33 H new ATOM 0 HA2 GLY A 54 11.781 16.538 -11.860 1.00 15.32 H new ATOM 0 HA3 GLY A 54 12.916 17.087 -10.643 1.00 15.32 H new ATOM 850 N TYR A 55 14.316 16.711 -12.872 1.00 61.11 N ATOM 851 CA TYR A 55 15.431 16.409 -13.762 1.00 52.24 C ATOM 852 C TYR A 55 16.757 16.827 -13.135 1.00 64.40 C ATOM 853 O TYR A 55 16.839 17.843 -12.446 1.00 2.51 O ATOM 854 CB TYR A 55 15.244 17.117 -15.106 1.00 20.15 C ATOM 855 CG TYR A 55 14.030 16.646 -15.875 1.00 24.24 C ATOM 856 CD1 TYR A 55 12.754 17.064 -15.520 1.00 34.22 C ATOM 857 CD2 TYR A 55 14.160 15.782 -16.955 1.00 42.10 C ATOM 858 CE1 TYR A 55 11.642 16.636 -16.219 1.00 72.50 C ATOM 859 CE2 TYR A 55 13.054 15.350 -17.661 1.00 22.21 C ATOM 860 CZ TYR A 55 11.797 15.779 -17.289 1.00 3.10 C ATOM 861 OH TYR A 55 10.693 15.350 -17.989 1.00 31.43 O ATOM 0 H TYR A 55 14.009 17.683 -12.895 1.00 61.11 H new ATOM 0 HA TYR A 55 15.451 15.332 -13.926 1.00 52.24 H new ATOM 0 HB2 TYR A 55 15.160 18.190 -14.933 1.00 20.15 H new ATOM 0 HB3 TYR A 55 16.133 16.961 -15.716 1.00 20.15 H new ATOM 0 HD1 TYR A 55 12.629 17.735 -14.683 1.00 34.22 H new ATOM 0 HD2 TYR A 55 15.143 15.442 -17.248 1.00 42.10 H new ATOM 0 HE1 TYR A 55 10.657 16.970 -15.929 1.00 72.50 H new ATOM 0 HE2 TYR A 55 13.173 14.680 -18.500 1.00 22.21 H new ATOM 0 HH TYR A 55 10.976 14.753 -18.712 1.00 31.43 H new ATOM 871 N VAL A 56 17.796 16.033 -13.380 1.00 14.43 N ATOM 872 CA VAL A 56 19.120 16.320 -12.841 1.00 70.33 C ATOM 873 C VAL A 56 20.212 15.723 -13.722 1.00 20.32 C ATOM 874 O VAL A 56 19.999 14.748 -14.444 1.00 13.44 O ATOM 875 CB VAL A 56 19.274 15.773 -11.410 1.00 21.14 C ATOM 876 CG1 VAL A 56 18.531 16.655 -10.418 1.00 42.20 C ATOM 877 CG2 VAL A 56 18.780 14.336 -11.332 1.00 55.43 C ATOM 0 H VAL A 56 17.746 15.187 -13.948 1.00 14.43 H new ATOM 0 HA VAL A 56 19.226 17.405 -12.820 1.00 70.33 H new ATOM 0 HB VAL A 56 20.332 15.784 -11.148 1.00 21.14 H new ATOM 0 HG11 VAL A 56 18.651 16.253 -9.412 1.00 42.20 H new ATOM 0 HG12 VAL A 56 18.937 17.666 -10.455 1.00 42.20 H new ATOM 0 HG13 VAL A 56 17.472 16.679 -10.675 1.00 42.20 H new ATOM 0 HG21 VAL A 56 18.897 13.966 -10.313 1.00 55.43 H new ATOM 0 HG22 VAL A 56 17.728 14.297 -11.614 1.00 55.43 H new ATOM 0 HG23 VAL A 56 19.361 13.714 -12.013 1.00 55.43 H new ATOM 887 N PRO A 57 21.412 16.319 -13.662 1.00 51.35 N ATOM 888 CA PRO A 57 22.563 15.863 -14.448 1.00 34.35 C ATOM 889 C PRO A 57 23.098 14.519 -13.964 1.00 54.03 C ATOM 890 O PRO A 57 23.377 14.342 -12.779 1.00 22.43 O ATOM 891 CB PRO A 57 23.603 16.964 -14.226 1.00 33.45 C ATOM 892 CG PRO A 57 23.236 17.573 -12.916 1.00 61.34 C ATOM 893 CD PRO A 57 21.738 17.485 -12.824 1.00 52.11 C ATOM 0 HA PRO A 57 22.306 15.707 -15.496 1.00 34.35 H new ATOM 0 HB2 PRO A 57 24.613 16.556 -14.204 1.00 33.45 H new ATOM 0 HB3 PRO A 57 23.575 17.702 -15.027 1.00 33.45 H new ATOM 0 HG2 PRO A 57 23.710 17.040 -12.092 1.00 61.34 H new ATOM 0 HG3 PRO A 57 23.570 18.609 -12.860 1.00 61.34 H new ATOM 0 HD2 PRO A 57 21.406 17.346 -11.795 1.00 52.11 H new ATOM 0 HD3 PRO A 57 21.259 18.392 -13.193 1.00 52.11 H new ATOM 901 N SER A 58 23.238 13.576 -14.890 1.00 21.40 N ATOM 902 CA SER A 58 23.737 12.246 -14.557 1.00 52.32 C ATOM 903 C SER A 58 25.223 12.294 -14.214 1.00 73.31 C ATOM 904 O SER A 58 25.718 11.477 -13.437 1.00 41.35 O ATOM 905 CB SER A 58 23.501 11.284 -15.723 1.00 23.44 C ATOM 906 OG SER A 58 23.777 9.946 -15.343 1.00 40.42 O ATOM 0 H SER A 58 23.013 13.708 -15.876 1.00 21.40 H new ATOM 0 HA SER A 58 23.192 11.888 -13.684 1.00 52.32 H new ATOM 0 HB2 SER A 58 22.468 11.364 -16.061 1.00 23.44 H new ATOM 0 HB3 SER A 58 24.135 11.565 -16.564 1.00 23.44 H new ATOM 0 HG SER A 58 22.935 9.470 -15.185 1.00 40.42 H new ATOM 912 N SER A 59 25.928 13.256 -14.799 1.00 43.34 N ATOM 913 CA SER A 59 27.358 13.409 -14.560 1.00 5.24 C ATOM 914 C SER A 59 27.642 13.610 -13.074 1.00 71.30 C ATOM 915 O SER A 59 28.748 13.347 -12.601 1.00 33.25 O ATOM 916 CB SER A 59 27.907 14.592 -15.359 1.00 45.24 C ATOM 917 OG SER A 59 29.012 15.185 -14.699 1.00 44.13 O ATOM 0 H SER A 59 25.532 13.942 -15.442 1.00 43.34 H new ATOM 0 HA SER A 59 27.855 12.496 -14.888 1.00 5.24 H new ATOM 0 HB2 SER A 59 28.210 14.256 -16.351 1.00 45.24 H new ATOM 0 HB3 SER A 59 27.122 15.335 -15.500 1.00 45.24 H new ATOM 0 HG SER A 59 28.695 15.900 -14.109 1.00 44.13 H new ATOM 923 N TYR A 60 26.635 14.077 -12.344 1.00 63.12 N ATOM 924 CA TYR A 60 26.775 14.316 -10.913 1.00 25.44 C ATOM 925 C TYR A 60 26.062 13.234 -10.107 1.00 71.15 C ATOM 926 O TYR A 60 25.865 13.371 -8.899 1.00 72.53 O ATOM 927 CB TYR A 60 26.217 15.692 -10.547 1.00 34.44 C ATOM 928 CG TYR A 60 26.975 16.840 -11.173 1.00 63.42 C ATOM 929 CD1 TYR A 60 26.899 17.086 -12.538 1.00 60.03 C ATOM 930 CD2 TYR A 60 27.768 17.679 -10.399 1.00 71.44 C ATOM 931 CE1 TYR A 60 27.591 18.133 -13.115 1.00 2.20 C ATOM 932 CE2 TYR A 60 28.462 18.729 -10.967 1.00 44.23 C ATOM 933 CZ TYR A 60 28.371 18.952 -12.325 1.00 43.14 C ATOM 934 OH TYR A 60 29.061 19.997 -12.896 1.00 2.22 O ATOM 0 H TYR A 60 25.713 14.297 -12.720 1.00 63.12 H new ATOM 0 HA TYR A 60 27.837 14.285 -10.668 1.00 25.44 H new ATOM 0 HB2 TYR A 60 25.173 15.745 -10.857 1.00 34.44 H new ATOM 0 HB3 TYR A 60 26.234 15.805 -9.463 1.00 34.44 H new ATOM 0 HD1 TYR A 60 26.288 16.447 -13.159 1.00 60.03 H new ATOM 0 HD2 TYR A 60 27.843 17.507 -9.335 1.00 71.44 H new ATOM 0 HE1 TYR A 60 27.522 18.309 -14.178 1.00 2.20 H new ATOM 0 HE2 TYR A 60 29.073 19.372 -10.351 1.00 44.23 H new ATOM 0 HH TYR A 60 29.561 20.477 -12.203 1.00 2.22 H new ATOM 944 N LEU A 61 25.677 12.158 -10.785 1.00 43.24 N ATOM 945 CA LEU A 61 24.986 11.051 -10.135 1.00 32.42 C ATOM 946 C LEU A 61 25.651 9.720 -10.472 1.00 60.01 C ATOM 947 O LEU A 61 25.968 9.448 -11.630 1.00 44.42 O ATOM 948 CB LEU A 61 23.516 11.021 -10.559 1.00 44.20 C ATOM 949 CG LEU A 61 22.585 11.983 -9.820 1.00 21.30 C ATOM 950 CD1 LEU A 61 21.287 12.167 -10.591 1.00 20.34 C ATOM 951 CD2 LEU A 61 22.305 11.477 -8.412 1.00 53.33 C ATOM 0 H LEU A 61 25.832 12.029 -11.785 1.00 43.24 H new ATOM 0 HA LEU A 61 25.044 11.203 -9.057 1.00 32.42 H new ATOM 0 HB2 LEU A 61 23.461 11.241 -11.625 1.00 44.20 H new ATOM 0 HB3 LEU A 61 23.140 10.007 -10.423 1.00 44.20 H new ATOM 0 HG LEU A 61 23.079 12.952 -9.745 1.00 21.30 H new ATOM 0 HD11 LEU A 61 20.637 12.855 -10.050 1.00 20.34 H new ATOM 0 HD12 LEU A 61 21.505 12.574 -11.578 1.00 20.34 H new ATOM 0 HD13 LEU A 61 20.788 11.204 -10.698 1.00 20.34 H new ATOM 0 HD21 LEU A 61 21.641 12.174 -7.900 1.00 53.33 H new ATOM 0 HD22 LEU A 61 21.831 10.497 -8.465 1.00 53.33 H new ATOM 0 HD23 LEU A 61 23.242 11.398 -7.861 1.00 53.33 H new ATOM 963 N VAL A 62 25.858 8.892 -9.453 1.00 15.33 N ATOM 964 CA VAL A 62 26.482 7.588 -9.641 1.00 53.21 C ATOM 965 C VAL A 62 25.478 6.462 -9.421 1.00 24.32 C ATOM 966 O VAL A 62 24.676 6.506 -8.489 1.00 51.11 O ATOM 967 CB VAL A 62 27.674 7.393 -8.686 1.00 11.25 C ATOM 968 CG1 VAL A 62 27.187 7.193 -7.258 1.00 43.33 C ATOM 969 CG2 VAL A 62 28.530 6.219 -9.135 1.00 71.21 C ATOM 0 H VAL A 62 25.602 9.102 -8.488 1.00 15.33 H new ATOM 0 HA VAL A 62 26.842 7.554 -10.669 1.00 53.21 H new ATOM 0 HB VAL A 62 28.289 8.292 -8.712 1.00 11.25 H new ATOM 0 HG11 VAL A 62 28.043 7.057 -6.597 1.00 43.33 H new ATOM 0 HG12 VAL A 62 26.620 8.068 -6.941 1.00 43.33 H new ATOM 0 HG13 VAL A 62 26.549 6.311 -7.211 1.00 43.33 H new ATOM 0 HG21 VAL A 62 29.368 6.096 -8.449 1.00 71.21 H new ATOM 0 HG22 VAL A 62 27.928 5.310 -9.139 1.00 71.21 H new ATOM 0 HG23 VAL A 62 28.909 6.408 -10.139 1.00 71.21 H new ATOM 979 N GLU A 63 25.531 5.453 -10.285 1.00 34.43 N ATOM 980 CA GLU A 63 24.625 4.314 -10.184 1.00 2.01 C ATOM 981 C GLU A 63 24.858 3.547 -8.885 1.00 52.23 C ATOM 982 O GLU A 63 25.918 2.955 -8.682 1.00 33.34 O ATOM 983 CB GLU A 63 24.810 3.379 -11.381 1.00 44.31 C ATOM 984 CG GLU A 63 23.509 3.012 -12.073 1.00 72.44 C ATOM 985 CD GLU A 63 23.610 1.717 -12.856 1.00 72.13 C ATOM 986 OE1 GLU A 63 24.110 1.752 -14.000 1.00 23.23 O ATOM 987 OE2 GLU A 63 23.188 0.668 -12.325 1.00 2.45 O ATOM 0 H GLU A 63 26.190 5.401 -11.061 1.00 34.43 H new ATOM 0 HA GLU A 63 23.603 4.694 -10.183 1.00 2.01 H new ATOM 0 HB2 GLU A 63 25.474 3.854 -12.103 1.00 44.31 H new ATOM 0 HB3 GLU A 63 25.303 2.467 -11.046 1.00 44.31 H new ATOM 0 HG2 GLU A 63 22.719 2.921 -11.328 1.00 72.44 H new ATOM 0 HG3 GLU A 63 23.220 3.818 -12.747 1.00 72.44 H new ATOM 994 N LYS A 64 23.859 3.563 -8.009 1.00 4.54 N ATOM 995 CA LYS A 64 23.952 2.870 -6.729 1.00 45.23 C ATOM 996 C LYS A 64 23.787 1.365 -6.913 1.00 32.01 C ATOM 997 O LYS A 64 22.668 0.861 -7.010 1.00 12.42 O ATOM 998 CB LYS A 64 22.890 3.397 -5.762 1.00 71.31 C ATOM 999 CG LYS A 64 23.155 3.035 -4.311 1.00 63.51 C ATOM 1000 CD LYS A 64 22.477 1.730 -3.929 1.00 33.21 C ATOM 1001 CE LYS A 64 22.637 1.432 -2.446 1.00 63.51 C ATOM 1002 NZ LYS A 64 22.529 -0.026 -2.158 1.00 51.45 N ATOM 0 H LYS A 64 22.975 4.049 -8.162 1.00 4.54 H new ATOM 0 HA LYS A 64 24.940 3.061 -6.311 1.00 45.23 H new ATOM 0 HB2 LYS A 64 22.834 4.482 -5.853 1.00 71.31 H new ATOM 0 HB3 LYS A 64 21.917 3.002 -6.054 1.00 71.31 H new ATOM 0 HG2 LYS A 64 24.229 2.950 -4.147 1.00 63.51 H new ATOM 0 HG3 LYS A 64 22.796 3.835 -3.664 1.00 63.51 H new ATOM 0 HD2 LYS A 64 21.417 1.783 -4.178 1.00 33.21 H new ATOM 0 HD3 LYS A 64 22.902 0.914 -4.513 1.00 33.21 H new ATOM 0 HE2 LYS A 64 23.605 1.799 -2.104 1.00 63.51 H new ATOM 0 HE3 LYS A 64 21.875 1.971 -1.883 1.00 63.51 H new ATOM 0 HZ1 LYS A 64 22.643 -0.188 -1.137 1.00 51.45 H new ATOM 0 HZ2 LYS A 64 21.596 -0.371 -2.461 1.00 51.45 H new ATOM 0 HZ3 LYS A 64 23.272 -0.538 -2.675 1.00 51.45 H new ATOM 1016 N SER A 65 24.908 0.652 -6.958 1.00 53.05 N ATOM 1017 CA SER A 65 24.886 -0.796 -7.133 1.00 3.44 C ATOM 1018 C SER A 65 25.065 -1.506 -5.794 1.00 71.45 C ATOM 1019 O SER A 65 25.545 -0.933 -4.817 1.00 5.41 O ATOM 1020 CB SER A 65 25.985 -1.230 -8.104 1.00 42.13 C ATOM 1021 OG SER A 65 27.069 -1.828 -7.414 1.00 72.34 O ATOM 0 H SER A 65 25.842 1.053 -6.876 1.00 53.05 H new ATOM 0 HA SER A 65 23.916 -1.074 -7.546 1.00 3.44 H new ATOM 0 HB2 SER A 65 25.577 -1.936 -8.828 1.00 42.13 H new ATOM 0 HB3 SER A 65 26.340 -0.366 -8.666 1.00 42.13 H new ATOM 0 HG SER A 65 27.757 -2.098 -8.057 1.00 72.34 H new ATOM 1027 N PRO A 66 24.669 -2.787 -5.748 1.00 54.02 N ATOM 1028 CA PRO A 66 24.775 -3.605 -4.537 1.00 31.24 C ATOM 1029 C PRO A 66 26.221 -3.938 -4.187 1.00 23.02 C ATOM 1030 O PRO A 66 27.143 -3.601 -4.930 1.00 71.31 O ATOM 1031 CB PRO A 66 24.006 -4.878 -4.900 1.00 21.14 C ATOM 1032 CG PRO A 66 24.083 -4.957 -6.385 1.00 42.53 C ATOM 1033 CD PRO A 66 24.087 -3.535 -6.875 1.00 53.14 C ATOM 0 HA PRO A 66 24.382 -3.089 -3.661 1.00 31.24 H new ATOM 0 HB2 PRO A 66 24.452 -5.756 -4.433 1.00 21.14 H new ATOM 0 HB3 PRO A 66 22.972 -4.826 -4.559 1.00 21.14 H new ATOM 0 HG2 PRO A 66 24.984 -5.482 -6.702 1.00 42.53 H new ATOM 0 HG3 PRO A 66 23.234 -5.507 -6.791 1.00 42.53 H new ATOM 0 HD2 PRO A 66 24.683 -3.424 -7.781 1.00 53.14 H new ATOM 0 HD3 PRO A 66 23.081 -3.188 -7.110 1.00 53.14 H new TER 1041 PRO A 66