USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 543 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 13 GLN : amide:sc= -0.0494 K(o=1.3,f=0.066!) USER MOD Set 1.2: A 33 TYR OH : rot 160:sc= 1.32 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0695 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -154:sc= -0.147 (180deg=-0.748) USER MOD Single : A 8 ASN : amide:sc= -2.42 K(o=-2.4,f=-4.1) USER MOD Single : A 11 SER OG : rot 180:sc= 0.113 USER MOD Single : A 14 ASN : amide:sc= -0.994 K(o=-0.99,f=-2.9!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.279 F(o=-0.96,f=-0.28) USER MOD Single : A 22 SER OG : rot 39:sc= 0.031 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 168:sc=-0.000816 (180deg=-0.0826) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.728 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -3.87 K(o=-3.9,f=-4.8!) USER MOD Single : A 35 GLN : amide:sc=-0.00161 X(o=-0.0016,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.278 K(o=-0.28,f=-0.87) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 10:sc= 0.0218 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00137 USER MOD Single : A 53 THR OG1 : rot 39:sc= 0.818 USER MOD Single : A 54 SER OG : rot 180:sc= -0.515 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -107:sc= 0.556 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.355 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.302 7.594 -7.907 1.00 12.24 N ATOM 2 CA GLY A 1 31.653 6.437 -7.317 1.00 72.42 C ATOM 3 C GLY A 1 30.156 6.624 -7.171 1.00 10.11 C ATOM 4 O GLY A 1 29.581 7.600 -7.654 1.00 14.32 O ATOM 0 H1 GLY A 1 32.788 7.311 -8.782 1.00 12.24 H new ATOM 0 H2 GLY A 1 31.588 8.318 -8.126 1.00 12.24 H new ATOM 0 H3 GLY A 1 32.995 7.983 -7.236 1.00 12.24 H new ATOM 0 HA2 GLY A 1 31.848 5.560 -7.935 1.00 72.42 H new ATOM 0 HA3 GLY A 1 32.089 6.240 -6.338 1.00 72.42 H new ATOM 8 N PRO A 2 29.500 5.672 -6.491 1.00 33.41 N ATOM 9 CA PRO A 2 28.052 5.713 -6.268 1.00 64.12 C ATOM 10 C PRO A 2 27.646 6.820 -5.302 1.00 61.40 C ATOM 11 O PRO A 2 28.455 7.283 -4.497 1.00 30.23 O ATOM 12 CB PRO A 2 27.748 4.339 -5.666 1.00 3.55 C ATOM 13 CG PRO A 2 29.025 3.911 -5.032 1.00 70.40 C ATOM 14 CD PRO A 2 30.123 4.482 -5.886 1.00 0.52 C ATOM 0 HA PRO A 2 27.503 5.922 -7.186 1.00 64.12 H new ATOM 0 HB2 PRO A 2 26.943 4.397 -4.934 1.00 3.55 H new ATOM 0 HB3 PRO A 2 27.431 3.632 -6.433 1.00 3.55 H new ATOM 0 HG2 PRO A 2 29.095 4.279 -4.008 1.00 70.40 H new ATOM 0 HG3 PRO A 2 29.092 2.824 -4.985 1.00 70.40 H new ATOM 0 HD2 PRO A 2 30.999 4.745 -5.292 1.00 0.52 H new ATOM 0 HD3 PRO A 2 30.453 3.772 -6.644 1.00 0.52 H new ATOM 22 N SER A 3 26.388 7.240 -5.385 1.00 45.35 N ATOM 23 CA SER A 3 25.875 8.296 -4.521 1.00 25.22 C ATOM 24 C SER A 3 24.906 7.729 -3.487 1.00 73.31 C ATOM 25 O SER A 3 24.524 6.560 -3.551 1.00 50.44 O ATOM 26 CB SER A 3 25.176 9.373 -5.353 1.00 71.41 C ATOM 27 OG SER A 3 23.970 8.884 -5.911 1.00 52.43 O ATOM 0 H SER A 3 25.705 6.865 -6.043 1.00 45.35 H new ATOM 0 HA SER A 3 26.720 8.743 -3.997 1.00 25.22 H new ATOM 0 HB2 SER A 3 24.965 10.240 -4.727 1.00 71.41 H new ATOM 0 HB3 SER A 3 25.839 9.709 -6.150 1.00 71.41 H new ATOM 0 HG SER A 3 23.542 9.592 -6.436 1.00 52.43 H new ATOM 33 N THR A 4 24.513 8.567 -2.532 1.00 14.33 N ATOM 34 CA THR A 4 23.591 8.150 -1.483 1.00 3.43 C ATOM 35 C THR A 4 22.537 9.221 -1.221 1.00 34.54 C ATOM 36 O THR A 4 21.342 8.930 -1.167 1.00 53.01 O ATOM 37 CB THR A 4 24.334 7.845 -0.169 1.00 15.11 C ATOM 38 OG1 THR A 4 25.447 6.980 -0.427 1.00 23.35 O ATOM 39 CG2 THR A 4 23.403 7.193 0.842 1.00 42.40 C ATOM 0 H THR A 4 24.819 9.538 -2.464 1.00 14.33 H new ATOM 0 HA THR A 4 23.103 7.241 -1.834 1.00 3.43 H new ATOM 0 HB THR A 4 24.693 8.786 0.247 1.00 15.11 H new ATOM 0 HG1 THR A 4 25.916 6.791 0.412 1.00 23.35 H new ATOM 0 HG21 THR A 4 23.951 6.987 1.761 1.00 42.40 H new ATOM 0 HG22 THR A 4 22.572 7.865 1.057 1.00 42.40 H new ATOM 0 HG23 THR A 4 23.018 6.259 0.433 1.00 42.40 H new ATOM 47 N SER A 5 22.988 10.461 -1.057 1.00 51.03 N ATOM 48 CA SER A 5 22.085 11.575 -0.798 1.00 22.24 C ATOM 49 C SER A 5 21.317 11.958 -2.059 1.00 22.45 C ATOM 50 O SER A 5 21.860 12.598 -2.958 1.00 62.42 O ATOM 51 CB SER A 5 22.866 12.782 -0.275 1.00 74.32 C ATOM 52 OG SER A 5 22.076 13.559 0.608 1.00 52.21 O ATOM 0 H SER A 5 23.974 10.719 -1.099 1.00 51.03 H new ATOM 0 HA SER A 5 21.368 11.260 -0.040 1.00 22.24 H new ATOM 0 HB2 SER A 5 23.764 12.442 0.240 1.00 74.32 H new ATOM 0 HB3 SER A 5 23.193 13.398 -1.113 1.00 74.32 H new ATOM 0 HG SER A 5 22.599 14.323 0.929 1.00 52.21 H new ATOM 58 N MET A 6 20.050 11.561 -2.116 1.00 75.12 N ATOM 59 CA MET A 6 19.207 11.864 -3.267 1.00 13.55 C ATOM 60 C MET A 6 17.741 11.574 -2.958 1.00 73.34 C ATOM 61 O MET A 6 17.430 10.708 -2.142 1.00 20.21 O ATOM 62 CB MET A 6 19.653 11.048 -4.482 1.00 63.34 C ATOM 63 CG MET A 6 18.801 11.283 -5.718 1.00 53.51 C ATOM 64 SD MET A 6 19.686 10.937 -7.250 1.00 71.34 S ATOM 65 CE MET A 6 20.900 12.254 -7.244 1.00 21.41 C ATOM 0 H MET A 6 19.585 11.030 -1.380 1.00 75.12 H new ATOM 0 HA MET A 6 19.311 12.925 -3.492 1.00 13.55 H new ATOM 0 HB2 MET A 6 20.690 11.293 -4.713 1.00 63.34 H new ATOM 0 HB3 MET A 6 19.625 9.988 -4.228 1.00 63.34 H new ATOM 0 HG2 MET A 6 17.912 10.654 -5.667 1.00 53.51 H new ATOM 0 HG3 MET A 6 18.459 12.318 -5.727 1.00 53.51 H new ATOM 0 HE1 MET A 6 21.202 12.476 -8.268 1.00 21.41 H new ATOM 0 HE2 MET A 6 20.467 13.146 -6.792 1.00 21.41 H new ATOM 0 HE3 MET A 6 21.772 11.943 -6.668 1.00 21.41 H new ATOM 75 N GLU A 7 16.847 12.306 -3.614 1.00 50.34 N ATOM 76 CA GLU A 7 15.414 12.128 -3.408 1.00 21.33 C ATOM 77 C GLU A 7 14.638 12.428 -4.687 1.00 61.52 C ATOM 78 O GLU A 7 13.436 12.687 -4.649 1.00 72.15 O ATOM 79 CB GLU A 7 14.924 13.033 -2.275 1.00 41.42 C ATOM 80 CG GLU A 7 15.272 14.498 -2.473 1.00 60.34 C ATOM 81 CD GLU A 7 15.156 15.304 -1.194 1.00 21.33 C ATOM 82 OE1 GLU A 7 14.142 15.142 -0.482 1.00 71.52 O ATOM 83 OE2 GLU A 7 16.077 16.095 -0.905 1.00 23.12 O ATOM 0 H GLU A 7 17.089 13.028 -4.293 1.00 50.34 H new ATOM 0 HA GLU A 7 15.238 11.088 -3.134 1.00 21.33 H new ATOM 0 HB2 GLU A 7 13.842 12.934 -2.184 1.00 41.42 H new ATOM 0 HB3 GLU A 7 15.355 12.690 -1.335 1.00 41.42 H new ATOM 0 HG2 GLU A 7 16.289 14.577 -2.857 1.00 60.34 H new ATOM 0 HG3 GLU A 7 14.612 14.925 -3.228 1.00 60.34 H new ATOM 90 N ASN A 8 15.336 12.393 -5.817 1.00 30.02 N ATOM 91 CA ASN A 8 14.712 12.661 -7.108 1.00 64.53 C ATOM 92 C ASN A 8 15.389 11.860 -8.216 1.00 12.31 C ATOM 93 O ASN A 8 16.248 12.373 -8.934 1.00 45.14 O ATOM 94 CB ASN A 8 14.783 14.156 -7.429 1.00 75.12 C ATOM 95 CG ASN A 8 14.707 15.020 -6.185 1.00 12.01 C ATOM 96 OD1 ASN A 8 15.657 15.088 -5.405 1.00 14.01 O ATOM 97 ND2 ASN A 8 13.573 15.683 -5.995 1.00 24.21 N ATOM 0 H ASN A 8 16.333 12.182 -5.865 1.00 30.02 H new ATOM 0 HA ASN A 8 13.667 12.356 -7.050 1.00 64.53 H new ATOM 0 HB2 ASN A 8 15.712 14.367 -7.958 1.00 75.12 H new ATOM 0 HB3 ASN A 8 13.966 14.419 -8.101 1.00 75.12 H new ATOM 0 HD21 ASN A 8 13.462 16.280 -5.175 1.00 24.21 H new ATOM 0 HD22 ASN A 8 12.812 15.596 -6.669 1.00 24.21 H new ATOM 104 N LEU A 9 14.994 10.598 -8.350 1.00 54.13 N ATOM 105 CA LEU A 9 15.561 9.724 -9.371 1.00 73.32 C ATOM 106 C LEU A 9 14.748 9.793 -10.659 1.00 14.51 C ATOM 107 O LEU A 9 14.911 8.964 -11.555 1.00 74.22 O ATOM 108 CB LEU A 9 15.613 8.281 -8.864 1.00 64.52 C ATOM 109 CG LEU A 9 14.297 7.707 -8.339 1.00 22.14 C ATOM 110 CD1 LEU A 9 14.044 6.327 -8.925 1.00 70.44 C ATOM 111 CD2 LEU A 9 14.311 7.648 -6.818 1.00 22.33 C ATOM 0 H LEU A 9 14.284 10.158 -7.765 1.00 54.13 H new ATOM 0 HA LEU A 9 16.574 10.065 -9.584 1.00 73.32 H new ATOM 0 HB2 LEU A 9 15.966 7.644 -9.675 1.00 64.52 H new ATOM 0 HB3 LEU A 9 16.355 8.223 -8.068 1.00 64.52 H new ATOM 0 HG LEU A 9 13.486 8.365 -8.651 1.00 22.14 H new ATOM 0 HD11 LEU A 9 13.103 5.935 -8.539 1.00 70.44 H new ATOM 0 HD12 LEU A 9 13.990 6.397 -10.011 1.00 70.44 H new ATOM 0 HD13 LEU A 9 14.858 5.658 -8.645 1.00 70.44 H new ATOM 0 HD21 LEU A 9 13.367 7.237 -6.461 1.00 22.33 H new ATOM 0 HD22 LEU A 9 15.132 7.012 -6.486 1.00 22.33 H new ATOM 0 HD23 LEU A 9 14.444 8.652 -6.416 1.00 22.33 H new ATOM 123 N VAL A 10 13.872 10.789 -10.748 1.00 13.11 N ATOM 124 CA VAL A 10 13.035 10.969 -11.929 1.00 21.45 C ATOM 125 C VAL A 10 13.877 11.017 -13.197 1.00 75.34 C ATOM 126 O VAL A 10 13.427 10.617 -14.270 1.00 2.40 O ATOM 127 CB VAL A 10 12.198 12.259 -11.831 1.00 12.22 C ATOM 128 CG1 VAL A 10 13.095 13.484 -11.908 1.00 24.32 C ATOM 129 CG2 VAL A 10 11.143 12.292 -12.927 1.00 71.31 C ATOM 0 H VAL A 10 13.723 11.484 -10.016 1.00 13.11 H new ATOM 0 HA VAL A 10 12.364 10.112 -11.976 1.00 21.45 H new ATOM 0 HB VAL A 10 11.690 12.270 -10.867 1.00 12.22 H new ATOM 0 HG11 VAL A 10 12.487 14.386 -11.837 1.00 24.32 H new ATOM 0 HG12 VAL A 10 13.810 13.463 -11.086 1.00 24.32 H new ATOM 0 HG13 VAL A 10 13.632 13.483 -12.856 1.00 24.32 H new ATOM 0 HG21 VAL A 10 10.560 13.209 -12.844 1.00 71.31 H new ATOM 0 HG22 VAL A 10 11.630 12.258 -13.902 1.00 71.31 H new ATOM 0 HG23 VAL A 10 10.482 11.432 -12.822 1.00 71.31 H new ATOM 139 N SER A 11 15.106 11.509 -13.067 1.00 14.42 N ATOM 140 CA SER A 11 16.013 11.612 -14.204 1.00 43.34 C ATOM 141 C SER A 11 16.565 10.242 -14.586 1.00 44.13 C ATOM 142 O SER A 11 16.781 9.953 -15.764 1.00 11.34 O ATOM 143 CB SER A 11 17.164 12.566 -13.881 1.00 64.40 C ATOM 144 OG SER A 11 17.300 12.746 -12.482 1.00 11.41 O ATOM 0 H SER A 11 15.496 11.842 -12.185 1.00 14.42 H new ATOM 0 HA SER A 11 15.450 12.006 -15.050 1.00 43.34 H new ATOM 0 HB2 SER A 11 18.093 12.172 -14.292 1.00 64.40 H new ATOM 0 HB3 SER A 11 16.987 13.529 -14.359 1.00 64.40 H new ATOM 0 HG SER A 11 18.043 13.359 -12.302 1.00 11.41 H new ATOM 150 N LEU A 12 16.790 9.402 -13.582 1.00 72.40 N ATOM 151 CA LEU A 12 17.317 8.061 -13.810 1.00 44.32 C ATOM 152 C LEU A 12 16.189 7.038 -13.886 1.00 3.53 C ATOM 153 O LEU A 12 16.396 5.852 -13.633 1.00 23.04 O ATOM 154 CB LEU A 12 18.294 7.679 -12.697 1.00 1.12 C ATOM 155 CG LEU A 12 19.577 8.506 -12.617 1.00 3.05 C ATOM 156 CD1 LEU A 12 20.119 8.514 -11.195 1.00 4.45 C ATOM 157 CD2 LEU A 12 20.620 7.967 -13.583 1.00 51.34 C ATOM 0 H LEU A 12 16.616 9.626 -12.602 1.00 72.40 H new ATOM 0 HA LEU A 12 17.845 8.063 -14.763 1.00 44.32 H new ATOM 0 HB2 LEU A 12 17.774 7.758 -11.742 1.00 1.12 H new ATOM 0 HB3 LEU A 12 18.568 6.632 -12.825 1.00 1.12 H new ATOM 0 HG LEU A 12 19.343 9.532 -12.901 1.00 3.05 H new ATOM 0 HD11 LEU A 12 21.032 9.107 -11.157 1.00 4.45 H new ATOM 0 HD12 LEU A 12 19.377 8.948 -10.525 1.00 4.45 H new ATOM 0 HD13 LEU A 12 20.337 7.493 -10.883 1.00 4.45 H new ATOM 0 HD21 LEU A 12 21.527 8.568 -13.512 1.00 51.34 H new ATOM 0 HD22 LEU A 12 20.850 6.932 -13.330 1.00 51.34 H new ATOM 0 HD23 LEU A 12 20.232 8.014 -14.601 1.00 51.34 H new ATOM 169 N GLN A 13 14.995 7.506 -14.237 1.00 5.32 N ATOM 170 CA GLN A 13 13.834 6.631 -14.347 1.00 4.05 C ATOM 171 C GLN A 13 13.717 6.056 -15.755 1.00 32.42 C ATOM 172 O GLN A 13 13.119 4.999 -15.956 1.00 53.23 O ATOM 173 CB GLN A 13 12.557 7.394 -13.989 1.00 22.55 C ATOM 174 CG GLN A 13 12.236 7.376 -12.502 1.00 45.53 C ATOM 175 CD GLN A 13 10.761 7.587 -12.223 1.00 1.45 C ATOM 176 OE1 GLN A 13 9.911 7.317 -13.073 1.00 23.30 O ATOM 177 NE2 GLN A 13 10.447 8.070 -11.026 1.00 54.53 N ATOM 0 H GLN A 13 14.807 8.486 -14.450 1.00 5.32 H new ATOM 0 HA GLN A 13 13.965 5.807 -13.646 1.00 4.05 H new ATOM 0 HB2 GLN A 13 12.657 8.428 -14.319 1.00 22.55 H new ATOM 0 HB3 GLN A 13 11.720 6.964 -14.539 1.00 22.55 H new ATOM 0 HG2 GLN A 13 12.550 6.422 -12.078 1.00 45.53 H new ATOM 0 HG3 GLN A 13 12.812 8.153 -12.000 1.00 45.53 H new ATOM 0 HE21 GLN A 13 11.183 8.280 -10.352 1.00 54.53 H new ATOM 0 HE22 GLN A 13 9.470 8.231 -10.781 1.00 54.53 H new ATOM 186 N ASN A 14 14.293 6.757 -16.725 1.00 62.51 N ATOM 187 CA ASN A 14 14.253 6.317 -18.114 1.00 75.02 C ATOM 188 C ASN A 14 15.097 5.061 -18.311 1.00 51.31 C ATOM 189 O ASN A 14 14.566 3.957 -18.448 1.00 42.22 O ATOM 190 CB ASN A 14 14.751 7.429 -19.039 1.00 34.13 C ATOM 191 CG ASN A 14 13.836 8.639 -19.032 1.00 74.44 C ATOM 192 OD1 ASN A 14 14.290 9.772 -18.873 1.00 42.45 O ATOM 193 ND2 ASN A 14 12.542 8.402 -19.206 1.00 44.42 N ATOM 0 H ASN A 14 14.793 7.633 -16.575 1.00 62.51 H new ATOM 0 HA ASN A 14 13.218 6.082 -18.364 1.00 75.02 H new ATOM 0 HB2 ASN A 14 15.752 7.732 -18.732 1.00 34.13 H new ATOM 0 HB3 ASN A 14 14.832 7.044 -20.055 1.00 34.13 H new ATOM 0 HD21 ASN A 14 11.878 9.176 -19.212 1.00 44.42 H new ATOM 0 HD22 ASN A 14 12.211 7.446 -19.334 1.00 44.42 H new ATOM 200 N LEU A 15 16.413 5.235 -18.323 1.00 52.04 N ATOM 201 CA LEU A 15 17.332 4.116 -18.502 1.00 43.42 C ATOM 202 C LEU A 15 18.782 4.590 -18.463 1.00 25.13 C ATOM 203 O LEU A 15 19.485 4.386 -17.471 1.00 54.23 O ATOM 204 CB LEU A 15 17.052 3.408 -19.830 1.00 31.44 C ATOM 205 CG LEU A 15 18.126 2.431 -20.309 1.00 64.34 C ATOM 206 CD1 LEU A 15 18.419 1.391 -19.239 1.00 4.23 C ATOM 207 CD2 LEU A 15 17.696 1.760 -21.605 1.00 22.43 C ATOM 0 H LEU A 15 16.869 6.141 -18.211 1.00 52.04 H new ATOM 0 HA LEU A 15 17.175 3.415 -17.682 1.00 43.42 H new ATOM 0 HB2 LEU A 15 16.111 2.866 -19.738 1.00 31.44 H new ATOM 0 HB3 LEU A 15 16.909 4.166 -20.600 1.00 31.44 H new ATOM 0 HG LEU A 15 19.041 2.992 -20.500 1.00 64.34 H new ATOM 0 HD11 LEU A 15 19.186 0.705 -19.599 1.00 4.23 H new ATOM 0 HD12 LEU A 15 18.772 1.888 -18.335 1.00 4.23 H new ATOM 0 HD13 LEU A 15 17.510 0.833 -19.015 1.00 4.23 H new ATOM 0 HD21 LEU A 15 18.472 1.068 -21.931 1.00 22.43 H new ATOM 0 HD22 LEU A 15 16.768 1.213 -21.441 1.00 22.43 H new ATOM 0 HD23 LEU A 15 17.539 2.518 -22.373 1.00 22.43 H new ATOM 219 N LEU A 16 19.221 5.225 -19.542 1.00 55.14 N ATOM 220 CA LEU A 16 20.587 5.730 -19.631 1.00 25.12 C ATOM 221 C LEU A 16 20.596 7.241 -19.843 1.00 1.23 C ATOM 222 O LEU A 16 21.510 7.935 -19.397 1.00 1.44 O ATOM 223 CB LEU A 16 21.335 5.039 -20.771 1.00 51.23 C ATOM 224 CG LEU A 16 22.786 4.648 -20.484 1.00 1.44 C ATOM 225 CD1 LEU A 16 23.214 3.494 -21.376 1.00 33.05 C ATOM 226 CD2 LEU A 16 23.707 5.842 -20.675 1.00 65.53 C ATOM 0 H LEU A 16 18.651 5.403 -20.369 1.00 55.14 H new ATOM 0 HA LEU A 16 21.091 5.510 -18.690 1.00 25.12 H new ATOM 0 HB2 LEU A 16 20.785 4.139 -21.046 1.00 51.23 H new ATOM 0 HB3 LEU A 16 21.323 5.698 -21.639 1.00 51.23 H new ATOM 0 HG LEU A 16 22.856 4.323 -19.446 1.00 1.44 H new ATOM 0 HD11 LEU A 16 24.249 3.230 -21.158 1.00 33.05 H new ATOM 0 HD12 LEU A 16 22.572 2.633 -21.190 1.00 33.05 H new ATOM 0 HD13 LEU A 16 23.128 3.791 -22.421 1.00 33.05 H new ATOM 0 HD21 LEU A 16 24.735 5.546 -20.467 1.00 65.53 H new ATOM 0 HD22 LEU A 16 23.633 6.198 -21.703 1.00 65.53 H new ATOM 0 HD23 LEU A 16 23.414 6.640 -19.993 1.00 65.53 H new ATOM 238 N VAL A 17 19.572 7.744 -20.524 1.00 54.52 N ATOM 239 CA VAL A 17 19.459 9.172 -20.794 1.00 25.43 C ATOM 240 C VAL A 17 19.624 9.986 -19.515 1.00 34.31 C ATOM 241 O VAL A 17 19.040 9.663 -18.480 1.00 72.32 O ATOM 242 CB VAL A 17 18.104 9.517 -21.437 1.00 5.04 C ATOM 243 CG1 VAL A 17 17.911 8.738 -22.728 1.00 73.13 C ATOM 244 CG2 VAL A 17 16.967 9.241 -20.464 1.00 44.25 C ATOM 0 H VAL A 17 18.808 7.183 -20.899 1.00 54.52 H new ATOM 0 HA VAL A 17 20.258 9.427 -21.491 1.00 25.43 H new ATOM 0 HB VAL A 17 18.097 10.580 -21.678 1.00 5.04 H new ATOM 0 HG11 VAL A 17 16.947 8.995 -23.168 1.00 73.13 H new ATOM 0 HG12 VAL A 17 18.708 8.990 -23.428 1.00 73.13 H new ATOM 0 HG13 VAL A 17 17.939 7.669 -22.516 1.00 73.13 H new ATOM 0 HG21 VAL A 17 16.016 9.491 -20.935 1.00 44.25 H new ATOM 0 HG22 VAL A 17 16.970 8.186 -20.190 1.00 44.25 H new ATOM 0 HG23 VAL A 17 17.099 9.849 -19.569 1.00 44.25 H new ATOM 254 N TYR A 18 20.425 11.044 -19.593 1.00 34.04 N ATOM 255 CA TYR A 18 20.669 11.904 -18.442 1.00 34.55 C ATOM 256 C TYR A 18 20.841 13.357 -18.873 1.00 70.23 C ATOM 257 O TYR A 18 21.799 14.023 -18.483 1.00 61.15 O ATOM 258 CB TYR A 18 21.913 11.435 -17.683 1.00 0.12 C ATOM 259 CG TYR A 18 23.013 10.922 -18.583 1.00 1.03 C ATOM 260 CD1 TYR A 18 23.473 11.681 -19.654 1.00 25.35 C ATOM 261 CD2 TYR A 18 23.593 9.679 -18.365 1.00 71.52 C ATOM 262 CE1 TYR A 18 24.478 11.216 -20.479 1.00 73.12 C ATOM 263 CE2 TYR A 18 24.600 9.206 -19.185 1.00 61.41 C ATOM 264 CZ TYR A 18 25.039 9.979 -20.240 1.00 12.15 C ATOM 265 OH TYR A 18 26.040 9.511 -21.060 1.00 31.22 O ATOM 0 H TYR A 18 20.916 11.326 -20.442 1.00 34.04 H new ATOM 0 HA TYR A 18 19.803 11.840 -17.783 1.00 34.55 H new ATOM 0 HB2 TYR A 18 22.299 12.263 -17.087 1.00 0.12 H new ATOM 0 HB3 TYR A 18 21.628 10.647 -16.986 1.00 0.12 H new ATOM 0 HD1 TYR A 18 23.037 12.651 -19.844 1.00 25.35 H new ATOM 0 HD2 TYR A 18 23.251 9.071 -17.540 1.00 71.52 H new ATOM 0 HE1 TYR A 18 24.823 11.818 -21.307 1.00 73.12 H new ATOM 0 HE2 TYR A 18 25.041 8.237 -19.001 1.00 61.41 H new ATOM 0 HH TYR A 18 26.326 8.625 -20.754 1.00 31.22 H new ATOM 275 N VAL A 19 19.903 13.842 -19.681 1.00 72.14 N ATOM 276 CA VAL A 19 19.949 15.216 -20.167 1.00 13.15 C ATOM 277 C VAL A 19 18.546 15.750 -20.437 1.00 23.43 C ATOM 278 O VAL A 19 17.794 15.178 -21.225 1.00 23.50 O ATOM 279 CB VAL A 19 20.786 15.329 -21.455 1.00 42.50 C ATOM 280 CG1 VAL A 19 22.248 15.024 -21.171 1.00 61.31 C ATOM 281 CG2 VAL A 19 20.238 14.402 -22.529 1.00 21.11 C ATOM 0 H VAL A 19 19.102 13.304 -20.013 1.00 72.14 H new ATOM 0 HA VAL A 19 20.418 15.813 -19.385 1.00 13.15 H new ATOM 0 HB VAL A 19 20.719 16.353 -21.822 1.00 42.50 H new ATOM 0 HG11 VAL A 19 22.823 15.109 -22.093 1.00 61.31 H new ATOM 0 HG12 VAL A 19 22.632 15.733 -20.437 1.00 61.31 H new ATOM 0 HG13 VAL A 19 22.339 14.011 -20.779 1.00 61.31 H new ATOM 0 HG21 VAL A 19 20.841 14.495 -23.432 1.00 21.11 H new ATOM 0 HG22 VAL A 19 20.273 13.372 -22.173 1.00 21.11 H new ATOM 0 HG23 VAL A 19 19.206 14.674 -22.752 1.00 21.11 H new ATOM 291 N ASN A 20 18.200 16.851 -19.776 1.00 74.31 N ATOM 292 CA ASN A 20 16.888 17.462 -19.943 1.00 55.25 C ATOM 293 C ASN A 20 17.000 18.983 -20.003 1.00 52.42 C ATOM 294 O ASN A 20 17.918 19.570 -19.430 1.00 52.42 O ATOM 295 CB ASN A 20 15.961 17.053 -18.797 1.00 54.22 C ATOM 296 CG ASN A 20 16.216 15.633 -18.327 1.00 44.23 C ATOM 297 OD1 ASN A 20 15.914 14.664 -19.183 1.00 51.01 O flip ATOM 298 ND2 ASN A 20 16.678 15.412 -17.208 1.00 14.05 N flip ATOM 0 H ASN A 20 18.811 17.337 -19.120 1.00 74.31 H new ATOM 0 HA ASN A 20 16.468 17.108 -20.885 1.00 55.25 H new ATOM 0 HB2 ASN A 20 16.096 17.739 -17.961 1.00 54.22 H new ATOM 0 HB3 ASN A 20 14.924 17.145 -19.121 1.00 54.22 H new ATOM 0 HD21 ASN A 20 16.895 16.189 -16.583 1.00 14.05 H new ATOM 0 HD22 ASN A 20 16.844 14.452 -16.905 1.00 14.05 H new ATOM 305 N TRP A 21 16.060 19.612 -20.699 1.00 25.41 N ATOM 306 CA TRP A 21 16.052 21.065 -20.832 1.00 61.43 C ATOM 307 C TRP A 21 14.776 21.542 -21.515 1.00 52.12 C ATOM 308 O TRP A 21 14.228 22.588 -21.167 1.00 63.20 O ATOM 309 CB TRP A 21 17.275 21.530 -21.625 1.00 43.41 C ATOM 310 CG TRP A 21 17.125 21.352 -23.106 1.00 22.23 C ATOM 311 CD1 TRP A 21 16.967 22.338 -24.038 1.00 44.22 C ATOM 312 CD2 TRP A 21 17.118 20.114 -23.824 1.00 31.42 C ATOM 313 NE1 TRP A 21 16.862 21.786 -25.293 1.00 23.02 N ATOM 314 CE2 TRP A 21 16.952 20.424 -25.188 1.00 32.20 C ATOM 315 CE3 TRP A 21 17.237 18.774 -23.447 1.00 33.00 C ATOM 316 CZ2 TRP A 21 16.902 19.441 -26.174 1.00 24.44 C ATOM 317 CZ3 TRP A 21 17.187 17.799 -24.426 1.00 51.32 C ATOM 318 CH2 TRP A 21 17.022 18.137 -25.776 1.00 4.34 C ATOM 0 H TRP A 21 15.294 19.140 -21.180 1.00 25.41 H new ATOM 0 HA TRP A 21 16.089 21.498 -19.832 1.00 61.43 H new ATOM 0 HB2 TRP A 21 17.460 22.582 -21.410 1.00 43.41 H new ATOM 0 HB3 TRP A 21 18.151 20.976 -21.286 1.00 43.41 H new ATOM 0 HD1 TRP A 21 16.930 23.395 -23.821 1.00 44.22 H new ATOM 0 HE1 TRP A 21 16.737 22.307 -26.161 1.00 23.02 H new ATOM 0 HE3 TRP A 21 17.366 18.505 -22.409 1.00 33.00 H new ATOM 0 HZ2 TRP A 21 16.773 19.699 -27.215 1.00 24.44 H new ATOM 0 HZ3 TRP A 21 17.277 16.760 -24.146 1.00 51.32 H new ATOM 0 HH2 TRP A 21 16.989 17.352 -26.517 1.00 4.34 H new ATOM 329 N SER A 22 14.306 20.769 -22.490 1.00 21.13 N ATOM 330 CA SER A 22 13.095 21.116 -23.223 1.00 75.02 C ATOM 331 C SER A 22 12.263 19.870 -23.516 1.00 45.54 C ATOM 332 O SER A 22 11.094 19.790 -23.139 1.00 30.33 O ATOM 333 CB SER A 22 13.451 21.824 -24.532 1.00 30.40 C ATOM 334 OG SER A 22 12.298 22.036 -25.327 1.00 62.35 O ATOM 0 H SER A 22 14.746 19.899 -22.790 1.00 21.13 H new ATOM 0 HA SER A 22 12.504 21.790 -22.603 1.00 75.02 H new ATOM 0 HB2 SER A 22 13.927 22.780 -24.314 1.00 30.40 H new ATOM 0 HB3 SER A 22 14.174 21.227 -25.087 1.00 30.40 H new ATOM 0 HG SER A 22 11.547 22.291 -24.752 1.00 62.35 H new ATOM 340 N SER A 23 12.873 18.904 -24.193 1.00 71.32 N ATOM 341 CA SER A 23 12.188 17.664 -24.541 1.00 71.11 C ATOM 342 C SER A 23 12.266 16.661 -23.394 1.00 31.20 C ATOM 343 O SER A 23 12.671 15.514 -23.584 1.00 54.31 O ATOM 344 CB SER A 23 12.798 17.058 -25.806 1.00 2.03 C ATOM 345 OG SER A 23 12.636 17.924 -26.916 1.00 23.23 O ATOM 0 H SER A 23 13.840 18.955 -24.512 1.00 71.32 H new ATOM 0 HA SER A 23 11.139 17.896 -24.727 1.00 71.11 H new ATOM 0 HB2 SER A 23 13.858 16.863 -25.645 1.00 2.03 H new ATOM 0 HB3 SER A 23 12.326 16.099 -26.017 1.00 2.03 H new ATOM 0 HG SER A 23 13.036 17.514 -27.712 1.00 23.23 H new ATOM 351 N TYR A 24 11.874 17.101 -22.203 1.00 52.41 N ATOM 352 CA TYR A 24 11.901 16.243 -21.025 1.00 25.22 C ATOM 353 C TYR A 24 11.218 14.908 -21.307 1.00 31.41 C ATOM 354 O TYR A 24 10.420 14.773 -22.234 1.00 41.11 O ATOM 355 CB TYR A 24 11.217 16.939 -19.846 1.00 51.53 C ATOM 356 CG TYR A 24 12.179 17.648 -18.921 1.00 63.34 C ATOM 357 CD1 TYR A 24 12.918 18.740 -19.358 1.00 71.15 C ATOM 358 CD2 TYR A 24 12.349 17.227 -17.607 1.00 13.53 C ATOM 359 CE1 TYR A 24 13.800 19.391 -18.516 1.00 12.52 C ATOM 360 CE2 TYR A 24 13.226 17.871 -16.758 1.00 70.34 C ATOM 361 CZ TYR A 24 13.950 18.953 -17.217 1.00 1.22 C ATOM 362 OH TYR A 24 14.825 19.599 -16.374 1.00 51.30 O ATOM 0 H TYR A 24 11.534 18.047 -22.028 1.00 52.41 H new ATOM 0 HA TYR A 24 12.943 16.051 -20.771 1.00 25.22 H new ATOM 0 HB2 TYR A 24 10.496 17.661 -20.230 1.00 51.53 H new ATOM 0 HB3 TYR A 24 10.655 16.200 -19.275 1.00 51.53 H new ATOM 0 HD1 TYR A 24 12.801 19.087 -20.374 1.00 71.15 H new ATOM 0 HD2 TYR A 24 11.785 16.381 -17.244 1.00 13.53 H new ATOM 0 HE1 TYR A 24 14.368 20.237 -18.873 1.00 12.52 H new ATOM 0 HE2 TYR A 24 13.345 17.530 -15.740 1.00 70.34 H new ATOM 0 HH TYR A 24 14.811 19.167 -15.495 1.00 51.30 H new ATOM 372 N PRO A 25 11.540 13.896 -20.488 1.00 14.03 N ATOM 373 CA PRO A 25 10.970 12.552 -20.627 1.00 45.42 C ATOM 374 C PRO A 25 9.491 12.510 -20.259 1.00 11.41 C ATOM 375 O PRO A 25 9.081 13.039 -19.225 1.00 31.43 O ATOM 376 CB PRO A 25 11.789 11.715 -19.643 1.00 32.32 C ATOM 377 CG PRO A 25 12.273 12.691 -18.626 1.00 54.51 C ATOM 378 CD PRO A 25 12.485 13.984 -19.362 1.00 64.31 C ATOM 0 HA PRO A 25 11.018 12.193 -21.655 1.00 45.42 H new ATOM 0 HB2 PRO A 25 11.181 10.935 -19.185 1.00 32.32 H new ATOM 0 HB3 PRO A 25 12.621 11.218 -20.142 1.00 32.32 H new ATOM 0 HG2 PRO A 25 11.544 12.813 -17.824 1.00 54.51 H new ATOM 0 HG3 PRO A 25 13.199 12.348 -18.165 1.00 54.51 H new ATOM 0 HD2 PRO A 25 12.276 14.846 -18.728 1.00 64.31 H new ATOM 0 HD3 PRO A 25 13.514 14.085 -19.708 1.00 64.31 H new ATOM 386 N LYS A 26 8.691 11.878 -21.111 1.00 34.12 N ATOM 387 CA LYS A 26 7.257 11.764 -20.876 1.00 31.14 C ATOM 388 C LYS A 26 6.975 10.947 -19.618 1.00 41.33 C ATOM 389 O LYS A 26 7.706 10.010 -19.299 1.00 35.42 O ATOM 390 CB LYS A 26 6.571 11.117 -22.080 1.00 53.55 C ATOM 391 CG LYS A 26 5.270 10.413 -21.735 1.00 44.41 C ATOM 392 CD LYS A 26 4.521 9.980 -22.984 1.00 10.43 C ATOM 393 CE LYS A 26 5.117 8.716 -23.582 1.00 73.40 C ATOM 394 NZ LYS A 26 4.784 7.510 -22.775 1.00 75.52 N ATOM 0 H LYS A 26 9.013 11.436 -21.972 1.00 34.12 H new ATOM 0 HA LYS A 26 6.857 12.768 -20.734 1.00 31.14 H new ATOM 0 HB2 LYS A 26 6.372 11.884 -22.829 1.00 53.55 H new ATOM 0 HB3 LYS A 26 7.254 10.398 -22.533 1.00 53.55 H new ATOM 0 HG2 LYS A 26 5.480 9.541 -21.115 1.00 44.41 H new ATOM 0 HG3 LYS A 26 4.640 11.079 -21.145 1.00 44.41 H new ATOM 0 HD2 LYS A 26 3.473 9.809 -22.740 1.00 10.43 H new ATOM 0 HD3 LYS A 26 4.549 10.781 -23.722 1.00 10.43 H new ATOM 0 HE2 LYS A 26 4.747 8.586 -24.599 1.00 73.40 H new ATOM 0 HE3 LYS A 26 6.200 8.821 -23.648 1.00 73.40 H new ATOM 0 HZ1 LYS A 26 5.029 6.654 -23.313 1.00 75.52 H new ATOM 0 HZ2 LYS A 26 5.324 7.527 -21.886 1.00 75.52 H new ATOM 0 HZ3 LYS A 26 3.766 7.505 -22.561 1.00 75.52 H new ATOM 408 N TYR A 27 5.911 11.309 -18.910 1.00 31.42 N ATOM 409 CA TYR A 27 5.534 10.610 -17.687 1.00 25.21 C ATOM 410 C TYR A 27 5.511 9.101 -17.906 1.00 11.31 C ATOM 411 O TYR A 27 4.933 8.613 -18.878 1.00 32.34 O ATOM 412 CB TYR A 27 4.163 11.087 -17.205 1.00 23.24 C ATOM 413 CG TYR A 27 3.111 10.001 -17.199 1.00 11.31 C ATOM 414 CD1 TYR A 27 2.982 9.136 -16.119 1.00 45.50 C ATOM 415 CD2 TYR A 27 2.245 9.840 -18.275 1.00 31.32 C ATOM 416 CE1 TYR A 27 2.022 8.143 -16.110 1.00 74.54 C ATOM 417 CE2 TYR A 27 1.283 8.849 -18.274 1.00 44.40 C ATOM 418 CZ TYR A 27 1.176 8.003 -17.190 1.00 2.03 C ATOM 419 OH TYR A 27 0.218 7.014 -17.184 1.00 43.33 O ATOM 0 H TYR A 27 5.295 12.082 -19.162 1.00 31.42 H new ATOM 0 HA TYR A 27 6.280 10.837 -16.925 1.00 25.21 H new ATOM 0 HB2 TYR A 27 4.262 11.491 -16.197 1.00 23.24 H new ATOM 0 HB3 TYR A 27 3.827 11.903 -17.844 1.00 23.24 H new ATOM 0 HD1 TYR A 27 3.644 9.242 -15.272 1.00 45.50 H new ATOM 0 HD2 TYR A 27 2.326 10.501 -19.125 1.00 31.32 H new ATOM 0 HE1 TYR A 27 1.934 7.480 -15.262 1.00 74.54 H new ATOM 0 HE2 TYR A 27 0.618 8.737 -19.118 1.00 44.40 H new ATOM 0 HH TYR A 27 -0.296 7.051 -18.018 1.00 43.33 H new ATOM 429 N GLU A 28 6.144 8.366 -16.996 1.00 45.22 N ATOM 430 CA GLU A 28 6.197 6.912 -17.090 1.00 44.25 C ATOM 431 C GLU A 28 5.438 6.265 -15.936 1.00 71.21 C ATOM 432 O GLU A 28 5.896 6.245 -14.793 1.00 23.04 O ATOM 433 CB GLU A 28 7.649 6.432 -17.095 1.00 22.11 C ATOM 434 CG GLU A 28 8.168 6.076 -18.478 1.00 34.34 C ATOM 435 CD GLU A 28 9.080 4.864 -18.463 1.00 13.24 C ATOM 436 OE1 GLU A 28 10.055 4.864 -17.683 1.00 42.24 O ATOM 437 OE2 GLU A 28 8.819 3.915 -19.232 1.00 33.24 O ATOM 0 H GLU A 28 6.627 8.754 -16.186 1.00 45.22 H new ATOM 0 HA GLU A 28 5.722 6.616 -18.025 1.00 44.25 H new ATOM 0 HB2 GLU A 28 8.282 7.210 -16.668 1.00 22.11 H new ATOM 0 HB3 GLU A 28 7.737 5.559 -16.448 1.00 22.11 H new ATOM 0 HG2 GLU A 28 7.324 5.883 -19.140 1.00 34.34 H new ATOM 0 HG3 GLU A 28 8.709 6.928 -18.890 1.00 34.34 H new ATOM 444 N PRO A 29 4.250 5.722 -16.239 1.00 63.12 N ATOM 445 CA PRO A 29 3.402 5.063 -15.241 1.00 44.22 C ATOM 446 C PRO A 29 3.992 3.743 -14.760 1.00 50.02 C ATOM 447 O PRO A 29 4.429 2.918 -15.562 1.00 5.34 O ATOM 448 CB PRO A 29 2.092 4.821 -15.993 1.00 4.43 C ATOM 449 CG PRO A 29 2.484 4.763 -17.429 1.00 2.14 C ATOM 450 CD PRO A 29 3.642 5.709 -17.581 1.00 72.22 C ATOM 0 HA PRO A 29 3.287 5.667 -14.341 1.00 44.22 H new ATOM 0 HB2 PRO A 29 1.618 3.892 -15.674 1.00 4.43 H new ATOM 0 HB3 PRO A 29 1.377 5.623 -15.810 1.00 4.43 H new ATOM 0 HG2 PRO A 29 2.767 3.750 -17.715 1.00 2.14 H new ATOM 0 HG3 PRO A 29 1.654 5.056 -18.072 1.00 2.14 H new ATOM 0 HD2 PRO A 29 4.346 5.364 -18.338 1.00 72.22 H new ATOM 0 HD3 PRO A 29 3.312 6.703 -17.882 1.00 72.22 H new ATOM 458 N GLY A 30 4.002 3.548 -13.444 1.00 74.12 N ATOM 459 CA GLY A 30 4.542 2.324 -12.880 1.00 24.32 C ATOM 460 C GLY A 30 5.867 2.545 -12.177 1.00 70.10 C ATOM 461 O GLY A 30 6.653 1.613 -12.013 1.00 75.43 O ATOM 0 H GLY A 30 3.646 4.215 -12.759 1.00 74.12 H new ATOM 0 HA2 GLY A 30 3.825 1.906 -12.174 1.00 24.32 H new ATOM 0 HA3 GLY A 30 4.674 1.589 -13.674 1.00 24.32 H new ATOM 465 N LYS A 31 6.116 3.782 -11.762 1.00 40.03 N ATOM 466 CA LYS A 31 7.355 4.124 -11.074 1.00 65.31 C ATOM 467 C LYS A 31 7.107 5.176 -9.998 1.00 24.34 C ATOM 468 O LYS A 31 6.602 6.261 -10.283 1.00 63.14 O ATOM 469 CB LYS A 31 8.393 4.637 -12.074 1.00 73.12 C ATOM 470 CG LYS A 31 8.852 3.585 -13.068 1.00 74.42 C ATOM 471 CD LYS A 31 8.176 3.759 -14.417 1.00 3.13 C ATOM 472 CE LYS A 31 7.524 2.467 -14.884 1.00 12.52 C ATOM 473 NZ LYS A 31 7.625 2.296 -16.360 1.00 15.14 N ATOM 0 H LYS A 31 5.475 4.565 -11.890 1.00 40.03 H new ATOM 0 HA LYS A 31 7.736 3.222 -10.595 1.00 65.31 H new ATOM 0 HB2 LYS A 31 7.973 5.482 -12.620 1.00 73.12 H new ATOM 0 HB3 LYS A 31 9.259 5.010 -11.527 1.00 73.12 H new ATOM 0 HG2 LYS A 31 9.933 3.647 -13.191 1.00 74.42 H new ATOM 0 HG3 LYS A 31 8.632 2.592 -12.676 1.00 74.42 H new ATOM 0 HD2 LYS A 31 7.423 4.544 -14.349 1.00 3.13 H new ATOM 0 HD3 LYS A 31 8.910 4.084 -15.154 1.00 3.13 H new ATOM 0 HE2 LYS A 31 7.998 1.621 -14.387 1.00 12.52 H new ATOM 0 HE3 LYS A 31 6.475 2.463 -14.589 1.00 12.52 H new ATOM 0 HZ1 LYS A 31 7.169 1.404 -16.638 1.00 15.14 H new ATOM 0 HZ2 LYS A 31 7.150 3.090 -16.835 1.00 15.14 H new ATOM 0 HZ3 LYS A 31 8.627 2.274 -16.639 1.00 15.14 H new ATOM 487 N GLU A 32 7.466 4.847 -8.761 1.00 21.44 N ATOM 488 CA GLU A 32 7.283 5.765 -7.642 1.00 41.05 C ATOM 489 C GLU A 32 7.866 7.139 -7.966 1.00 3.35 C ATOM 490 O GLU A 32 8.963 7.247 -8.513 1.00 10.12 O ATOM 491 CB GLU A 32 7.940 5.205 -6.380 1.00 12.05 C ATOM 492 CG GLU A 32 6.946 4.670 -5.362 1.00 74.34 C ATOM 493 CD GLU A 32 7.098 3.181 -5.125 1.00 31.12 C ATOM 494 OE1 GLU A 32 8.184 2.758 -4.678 1.00 61.45 O ATOM 495 OE2 GLU A 32 6.130 2.437 -5.386 1.00 10.35 O ATOM 0 H GLU A 32 7.885 3.952 -8.508 1.00 21.44 H new ATOM 0 HA GLU A 32 6.213 5.875 -7.466 1.00 41.05 H new ATOM 0 HB2 GLU A 32 8.625 4.405 -6.662 1.00 12.05 H new ATOM 0 HB3 GLU A 32 8.538 5.988 -5.914 1.00 12.05 H new ATOM 0 HG2 GLU A 32 7.078 5.200 -4.418 1.00 74.34 H new ATOM 0 HG3 GLU A 32 5.933 4.878 -5.705 1.00 74.34 H new ATOM 502 N TYR A 33 7.122 8.185 -7.622 1.00 2.50 N ATOM 503 CA TYR A 33 7.561 9.551 -7.878 1.00 74.45 C ATOM 504 C TYR A 33 7.626 10.354 -6.582 1.00 33.22 C ATOM 505 O TYR A 33 6.598 10.718 -6.012 1.00 10.01 O ATOM 506 CB TYR A 33 6.619 10.236 -8.868 1.00 11.40 C ATOM 507 CG TYR A 33 6.820 9.795 -10.300 1.00 41.44 C ATOM 508 CD1 TYR A 33 7.930 10.210 -11.027 1.00 43.01 C ATOM 509 CD2 TYR A 33 5.902 8.962 -10.927 1.00 54.01 C ATOM 510 CE1 TYR A 33 8.117 9.811 -12.335 1.00 71.22 C ATOM 511 CE2 TYR A 33 6.083 8.555 -12.236 1.00 24.21 C ATOM 512 CZ TYR A 33 7.191 8.982 -12.935 1.00 63.14 C ATOM 513 OH TYR A 33 7.376 8.581 -14.238 1.00 2.30 O ATOM 0 H TYR A 33 6.213 8.112 -7.165 1.00 2.50 H new ATOM 0 HA TYR A 33 8.561 9.509 -8.309 1.00 74.45 H new ATOM 0 HB2 TYR A 33 5.589 10.033 -8.576 1.00 11.40 H new ATOM 0 HB3 TYR A 33 6.762 11.315 -8.806 1.00 11.40 H new ATOM 0 HD1 TYR A 33 8.659 10.856 -10.560 1.00 43.01 H new ATOM 0 HD2 TYR A 33 5.032 8.626 -10.383 1.00 54.01 H new ATOM 0 HE1 TYR A 33 8.983 10.146 -12.886 1.00 71.22 H new ATOM 0 HE2 TYR A 33 5.360 7.906 -12.708 1.00 24.21 H new ATOM 0 HH TYR A 33 6.842 7.778 -14.412 1.00 2.30 H new ATOM 523 N ASN A 34 8.843 10.627 -6.123 1.00 11.41 N ATOM 524 CA ASN A 34 9.044 11.387 -4.894 1.00 11.23 C ATOM 525 C ASN A 34 8.896 12.884 -5.150 1.00 53.20 C ATOM 526 O ASN A 34 8.743 13.315 -6.292 1.00 3.21 O ATOM 527 CB ASN A 34 10.425 11.091 -4.307 1.00 53.32 C ATOM 528 CG ASN A 34 10.510 9.705 -3.697 1.00 71.24 C ATOM 529 OD1 ASN A 34 10.790 9.555 -2.507 1.00 41.42 O ATOM 530 ND2 ASN A 34 10.269 8.685 -4.511 1.00 52.24 N ATOM 0 H ASN A 34 9.705 10.334 -6.583 1.00 11.41 H new ATOM 0 HA ASN A 34 8.280 11.082 -4.178 1.00 11.23 H new ATOM 0 HB2 ASN A 34 11.177 11.187 -5.090 1.00 53.32 H new ATOM 0 HB3 ASN A 34 10.660 11.835 -3.546 1.00 53.32 H new ATOM 0 HD21 ASN A 34 10.312 7.729 -4.157 1.00 52.24 H new ATOM 0 HD22 ASN A 34 10.041 8.857 -5.490 1.00 52.24 H new ATOM 537 N GLN A 35 8.946 13.669 -4.078 1.00 54.32 N ATOM 538 CA GLN A 35 8.818 15.117 -4.188 1.00 62.25 C ATOM 539 C GLN A 35 9.976 15.708 -4.985 1.00 74.42 C ATOM 540 O GLN A 35 11.132 15.338 -4.786 1.00 34.40 O ATOM 541 CB GLN A 35 8.765 15.752 -2.797 1.00 14.51 C ATOM 542 CG GLN A 35 10.121 15.836 -2.115 1.00 22.03 C ATOM 543 CD GLN A 35 10.046 16.480 -0.745 1.00 63.23 C ATOM 544 OE1 GLN A 35 10.687 17.501 -0.490 1.00 2.11 O ATOM 545 NE2 GLN A 35 9.261 15.887 0.147 1.00 73.20 N ATOM 0 H GLN A 35 9.074 13.327 -3.126 1.00 54.32 H new ATOM 0 HA GLN A 35 7.890 15.335 -4.716 1.00 62.25 H new ATOM 0 HB2 GLN A 35 8.347 16.755 -2.880 1.00 14.51 H new ATOM 0 HB3 GLN A 35 8.087 15.175 -2.169 1.00 14.51 H new ATOM 0 HG2 GLN A 35 10.538 14.833 -2.019 1.00 22.03 H new ATOM 0 HG3 GLN A 35 10.805 16.406 -2.744 1.00 22.03 H new ATOM 0 HE21 GLN A 35 8.748 15.043 -0.107 1.00 73.20 H new ATOM 0 HE22 GLN A 35 9.171 16.276 1.086 1.00 73.20 H new ATOM 554 N GLY A 36 9.657 16.627 -5.891 1.00 4.22 N ATOM 555 CA GLY A 36 10.682 17.253 -6.705 1.00 63.11 C ATOM 556 C GLY A 36 10.794 16.626 -8.080 1.00 52.11 C ATOM 557 O GLY A 36 11.295 17.250 -9.015 1.00 55.52 O ATOM 0 H GLY A 36 8.707 16.949 -6.076 1.00 4.22 H new ATOM 0 HA2 GLY A 36 10.460 18.315 -6.810 1.00 63.11 H new ATOM 0 HA3 GLY A 36 11.643 17.178 -6.195 1.00 63.11 H new ATOM 561 N ASP A 37 10.328 15.387 -8.203 1.00 62.24 N ATOM 562 CA ASP A 37 10.380 14.674 -9.473 1.00 41.45 C ATOM 563 C ASP A 37 9.611 15.431 -10.553 1.00 61.44 C ATOM 564 O ASP A 37 8.469 15.841 -10.343 1.00 74.22 O ATOM 565 CB ASP A 37 9.806 13.265 -9.315 1.00 64.23 C ATOM 566 CG ASP A 37 10.698 12.367 -8.481 1.00 65.22 C ATOM 567 OD1 ASP A 37 11.239 12.849 -7.463 1.00 54.12 O ATOM 568 OD2 ASP A 37 10.854 11.183 -8.845 1.00 41.30 O ATOM 0 H ASP A 37 9.910 14.857 -7.438 1.00 62.24 H new ATOM 0 HA ASP A 37 11.424 14.601 -9.778 1.00 41.45 H new ATOM 0 HB2 ASP A 37 8.822 13.327 -8.851 1.00 64.23 H new ATOM 0 HB3 ASP A 37 9.667 12.820 -10.300 1.00 64.23 H new ATOM 573 N ILE A 38 10.247 15.614 -11.705 1.00 40.44 N ATOM 574 CA ILE A 38 9.623 16.321 -12.816 1.00 51.55 C ATOM 575 C ILE A 38 9.555 15.441 -14.060 1.00 11.24 C ATOM 576 O ILE A 38 10.501 14.719 -14.375 1.00 51.11 O ATOM 577 CB ILE A 38 10.386 17.615 -13.159 1.00 41.50 C ATOM 578 CG1 ILE A 38 10.408 18.554 -11.951 1.00 73.14 C ATOM 579 CG2 ILE A 38 9.751 18.302 -14.359 1.00 54.23 C ATOM 580 CD1 ILE A 38 11.746 19.226 -11.733 1.00 24.15 C ATOM 0 H ILE A 38 11.193 15.283 -11.893 1.00 40.44 H new ATOM 0 HA ILE A 38 8.612 16.577 -12.499 1.00 51.55 H new ATOM 0 HB ILE A 38 11.414 17.357 -13.415 1.00 41.50 H new ATOM 0 HG12 ILE A 38 9.643 19.319 -12.082 1.00 73.14 H new ATOM 0 HG13 ILE A 38 10.144 17.989 -11.057 1.00 73.14 H new ATOM 0 HG21 ILE A 38 10.301 19.214 -14.589 1.00 54.23 H new ATOM 0 HG22 ILE A 38 9.781 17.633 -15.219 1.00 54.23 H new ATOM 0 HG23 ILE A 38 8.715 18.551 -14.130 1.00 54.23 H new ATOM 0 HD11 ILE A 38 11.688 19.877 -10.860 1.00 24.15 H new ATOM 0 HD12 ILE A 38 12.512 18.468 -11.570 1.00 24.15 H new ATOM 0 HD13 ILE A 38 12.003 19.819 -12.611 1.00 24.15 H new ATOM 592 N VAL A 39 8.430 15.507 -14.764 1.00 13.21 N ATOM 593 CA VAL A 39 8.238 14.719 -15.975 1.00 14.44 C ATOM 594 C VAL A 39 7.390 15.472 -16.993 1.00 52.42 C ATOM 595 O VAL A 39 6.538 16.281 -16.628 1.00 41.31 O ATOM 596 CB VAL A 39 7.567 13.367 -15.665 1.00 4.13 C ATOM 597 CG1 VAL A 39 8.308 12.647 -14.550 1.00 34.21 C ATOM 598 CG2 VAL A 39 6.104 13.570 -15.300 1.00 20.43 C ATOM 0 H VAL A 39 7.637 16.099 -14.516 1.00 13.21 H new ATOM 0 HA VAL A 39 9.228 14.538 -16.394 1.00 14.44 H new ATOM 0 HB VAL A 39 7.612 12.745 -16.559 1.00 4.13 H new ATOM 0 HG11 VAL A 39 7.820 11.694 -14.345 1.00 34.21 H new ATOM 0 HG12 VAL A 39 9.339 12.468 -14.855 1.00 34.21 H new ATOM 0 HG13 VAL A 39 8.297 13.262 -13.650 1.00 34.21 H new ATOM 0 HG21 VAL A 39 5.646 12.605 -15.084 1.00 20.43 H new ATOM 0 HG22 VAL A 39 6.034 14.210 -14.420 1.00 20.43 H new ATOM 0 HG23 VAL A 39 5.583 14.041 -16.134 1.00 20.43 H new ATOM 608 N GLU A 40 7.631 15.201 -18.273 1.00 41.41 N ATOM 609 CA GLU A 40 6.889 15.855 -19.344 1.00 53.11 C ATOM 610 C GLU A 40 5.584 15.117 -19.631 1.00 10.02 C ATOM 611 O GLU A 40 5.473 13.914 -19.393 1.00 23.25 O ATOM 612 CB GLU A 40 7.738 15.922 -20.615 1.00 44.15 C ATOM 613 CG GLU A 40 7.029 16.580 -21.787 1.00 32.33 C ATOM 614 CD GLU A 40 7.902 16.664 -23.025 1.00 24.32 C ATOM 615 OE1 GLU A 40 9.071 17.086 -22.898 1.00 1.13 O ATOM 616 OE2 GLU A 40 7.416 16.310 -24.119 1.00 74.30 O ATOM 0 H GLU A 40 8.333 14.534 -18.592 1.00 41.41 H new ATOM 0 HA GLU A 40 6.651 16.868 -19.020 1.00 53.11 H new ATOM 0 HB2 GLU A 40 8.655 16.472 -20.401 1.00 44.15 H new ATOM 0 HB3 GLU A 40 8.031 14.911 -20.900 1.00 44.15 H new ATOM 0 HG2 GLU A 40 6.125 16.018 -22.022 1.00 32.33 H new ATOM 0 HG3 GLU A 40 6.715 17.583 -21.500 1.00 32.33 H new ATOM 623 N TYR A 41 4.600 15.847 -20.143 1.00 4.10 N ATOM 624 CA TYR A 41 3.301 15.264 -20.460 1.00 4.33 C ATOM 625 C TYR A 41 2.599 16.059 -21.557 1.00 63.53 C ATOM 626 O TYR A 41 2.196 17.203 -21.349 1.00 22.41 O ATOM 627 CB TYR A 41 2.422 15.215 -19.209 1.00 32.43 C ATOM 628 CG TYR A 41 1.188 14.356 -19.369 1.00 12.21 C ATOM 629 CD1 TYR A 41 1.281 12.970 -19.395 1.00 50.15 C ATOM 630 CD2 TYR A 41 -0.070 14.930 -19.496 1.00 3.04 C ATOM 631 CE1 TYR A 41 0.156 12.181 -19.543 1.00 30.15 C ATOM 632 CE2 TYR A 41 -1.201 14.149 -19.642 1.00 25.20 C ATOM 633 CZ TYR A 41 -1.082 12.775 -19.665 1.00 4.41 C ATOM 634 OH TYR A 41 -2.205 11.994 -19.812 1.00 1.14 O ATOM 0 H TYR A 41 4.676 16.843 -20.348 1.00 4.10 H new ATOM 0 HA TYR A 41 3.466 14.249 -20.821 1.00 4.33 H new ATOM 0 HB2 TYR A 41 3.013 14.836 -18.375 1.00 32.43 H new ATOM 0 HB3 TYR A 41 2.117 16.229 -18.949 1.00 32.43 H new ATOM 0 HD1 TYR A 41 2.249 12.501 -19.298 1.00 50.15 H new ATOM 0 HD2 TYR A 41 -0.166 16.006 -19.480 1.00 3.04 H new ATOM 0 HE1 TYR A 41 0.246 11.105 -19.563 1.00 30.15 H new ATOM 0 HE2 TYR A 41 -2.172 14.612 -19.738 1.00 25.20 H new ATOM 0 HH TYR A 41 -2.996 12.568 -19.883 1.00 1.14 H new ATOM 644 N ASN A 42 2.457 15.445 -22.726 1.00 15.34 N ATOM 645 CA ASN A 42 1.804 16.094 -23.857 1.00 34.13 C ATOM 646 C ASN A 42 2.464 17.432 -24.171 1.00 71.12 C ATOM 647 O ASN A 42 1.832 18.336 -24.714 1.00 5.34 O ATOM 648 CB ASN A 42 0.318 16.301 -23.563 1.00 2.40 C ATOM 649 CG ASN A 42 -0.421 14.992 -23.364 1.00 54.51 C ATOM 650 OD1 ASN A 42 0.004 13.945 -23.852 1.00 73.35 O ATOM 651 ND2 ASN A 42 -1.536 15.045 -22.644 1.00 70.12 N ATOM 0 H ASN A 42 2.785 14.498 -22.916 1.00 15.34 H new ATOM 0 HA ASN A 42 1.908 15.446 -24.727 1.00 34.13 H new ATOM 0 HB2 ASN A 42 0.210 16.915 -22.669 1.00 2.40 H new ATOM 0 HB3 ASN A 42 -0.139 16.851 -24.386 1.00 2.40 H new ATOM 0 HD21 ASN A 42 -2.076 14.196 -22.477 1.00 70.12 H new ATOM 0 HD22 ASN A 42 -1.852 15.935 -22.258 1.00 70.12 H new ATOM 658 N GLY A 43 3.743 17.551 -23.824 1.00 50.53 N ATOM 659 CA GLY A 43 4.469 18.782 -24.077 1.00 44.31 C ATOM 660 C GLY A 43 4.392 19.750 -22.913 1.00 74.50 C ATOM 661 O GLY A 43 4.627 20.947 -23.073 1.00 65.12 O ATOM 0 H GLY A 43 4.289 16.817 -23.372 1.00 50.53 H new ATOM 0 HA2 GLY A 43 5.514 18.548 -24.283 1.00 44.31 H new ATOM 0 HA3 GLY A 43 4.067 19.260 -24.970 1.00 44.31 H new ATOM 665 N LYS A 44 4.063 19.230 -21.735 1.00 75.22 N ATOM 666 CA LYS A 44 3.957 20.054 -20.537 1.00 62.30 C ATOM 667 C LYS A 44 5.046 19.694 -19.530 1.00 1.41 C ATOM 668 O LYS A 44 5.877 18.823 -19.785 1.00 73.23 O ATOM 669 CB LYS A 44 2.578 19.884 -19.896 1.00 12.34 C ATOM 670 CG LYS A 44 1.448 20.482 -20.716 1.00 21.13 C ATOM 671 CD LYS A 44 0.388 19.446 -21.044 1.00 14.34 C ATOM 672 CE LYS A 44 -0.967 20.092 -21.290 1.00 42.23 C ATOM 673 NZ LYS A 44 -2.088 19.139 -21.061 1.00 31.34 N ATOM 0 H LYS A 44 3.865 18.241 -21.585 1.00 75.22 H new ATOM 0 HA LYS A 44 4.088 21.096 -20.830 1.00 62.30 H new ATOM 0 HB2 LYS A 44 2.385 18.822 -19.747 1.00 12.34 H new ATOM 0 HB3 LYS A 44 2.585 20.348 -18.910 1.00 12.34 H new ATOM 0 HG2 LYS A 44 0.994 21.306 -20.165 1.00 21.13 H new ATOM 0 HG3 LYS A 44 1.849 20.899 -21.640 1.00 21.13 H new ATOM 0 HD2 LYS A 44 0.689 18.883 -21.927 1.00 14.34 H new ATOM 0 HD3 LYS A 44 0.309 18.733 -20.223 1.00 14.34 H new ATOM 0 HE2 LYS A 44 -1.083 20.953 -20.632 1.00 42.23 H new ATOM 0 HE3 LYS A 44 -1.011 20.464 -22.313 1.00 42.23 H new ATOM 0 HZ1 LYS A 44 -2.993 19.619 -21.239 1.00 31.34 H new ATOM 0 HZ2 LYS A 44 -1.992 18.329 -21.706 1.00 31.34 H new ATOM 0 HZ3 LYS A 44 -2.062 18.803 -20.077 1.00 31.34 H new ATOM 687 N LEU A 45 5.032 20.368 -18.386 1.00 65.42 N ATOM 688 CA LEU A 45 6.018 20.119 -17.340 1.00 2.33 C ATOM 689 C LEU A 45 5.371 20.173 -15.959 1.00 32.43 C ATOM 690 O LEU A 45 4.838 21.205 -15.552 1.00 12.02 O ATOM 691 CB LEU A 45 7.151 21.143 -17.425 1.00 31.35 C ATOM 692 CG LEU A 45 8.184 20.910 -18.527 1.00 74.32 C ATOM 693 CD1 LEU A 45 9.247 21.998 -18.502 1.00 11.45 C ATOM 694 CD2 LEU A 45 8.822 19.536 -18.380 1.00 14.10 C ATOM 0 H LEU A 45 4.349 21.091 -18.159 1.00 65.42 H new ATOM 0 HA LEU A 45 6.428 19.120 -17.491 1.00 2.33 H new ATOM 0 HB2 LEU A 45 6.712 22.130 -17.569 1.00 31.35 H new ATOM 0 HB3 LEU A 45 7.670 21.162 -16.466 1.00 31.35 H new ATOM 0 HG LEU A 45 7.674 20.951 -19.489 1.00 74.32 H new ATOM 0 HD11 LEU A 45 9.974 21.815 -19.294 1.00 11.45 H new ATOM 0 HD12 LEU A 45 8.777 22.969 -18.658 1.00 11.45 H new ATOM 0 HD13 LEU A 45 9.753 21.990 -17.537 1.00 11.45 H new ATOM 0 HD21 LEU A 45 9.555 19.388 -19.173 1.00 14.10 H new ATOM 0 HD22 LEU A 45 9.317 19.466 -17.411 1.00 14.10 H new ATOM 0 HD23 LEU A 45 8.052 18.768 -18.450 1.00 14.10 H new ATOM 706 N TYR A 46 5.424 19.055 -15.243 1.00 40.30 N ATOM 707 CA TYR A 46 4.843 18.975 -13.908 1.00 33.43 C ATOM 708 C TYR A 46 5.892 18.552 -12.882 1.00 52.02 C ATOM 709 O TYR A 46 6.862 17.870 -13.214 1.00 21.14 O ATOM 710 CB TYR A 46 3.675 17.987 -13.896 1.00 21.50 C ATOM 711 CG TYR A 46 2.558 18.359 -14.844 1.00 52.24 C ATOM 712 CD1 TYR A 46 2.605 17.991 -16.183 1.00 14.10 C ATOM 713 CD2 TYR A 46 1.455 19.079 -14.402 1.00 34.22 C ATOM 714 CE1 TYR A 46 1.588 18.329 -17.054 1.00 3.14 C ATOM 715 CE2 TYR A 46 0.432 19.420 -15.264 1.00 1.53 C ATOM 716 CZ TYR A 46 0.503 19.043 -16.590 1.00 64.11 C ATOM 717 OH TYR A 46 -0.514 19.381 -17.453 1.00 70.02 O ATOM 0 H TYR A 46 5.863 18.192 -15.565 1.00 40.30 H new ATOM 0 HA TYR A 46 4.476 19.965 -13.639 1.00 33.43 H new ATOM 0 HB2 TYR A 46 4.046 16.996 -14.156 1.00 21.50 H new ATOM 0 HB3 TYR A 46 3.275 17.922 -12.884 1.00 21.50 H new ATOM 0 HD1 TYR A 46 3.452 17.430 -16.549 1.00 14.10 H new ATOM 0 HD2 TYR A 46 1.397 19.377 -13.366 1.00 34.22 H new ATOM 0 HE1 TYR A 46 1.642 18.036 -18.092 1.00 3.14 H new ATOM 0 HE2 TYR A 46 -0.419 19.979 -14.903 1.00 1.53 H new ATOM 0 HH TYR A 46 -1.202 19.882 -16.967 1.00 70.02 H new ATOM 727 N LYS A 47 5.689 18.962 -11.635 1.00 43.14 N ATOM 728 CA LYS A 47 6.613 18.628 -10.558 1.00 54.31 C ATOM 729 C LYS A 47 5.860 18.121 -9.332 1.00 53.14 C ATOM 730 O LYS A 47 5.060 18.845 -8.741 1.00 71.12 O ATOM 731 CB LYS A 47 7.457 19.848 -10.184 1.00 12.41 C ATOM 732 CG LYS A 47 8.239 19.674 -8.894 1.00 52.11 C ATOM 733 CD LYS A 47 9.662 20.190 -9.031 1.00 22.21 C ATOM 734 CE LYS A 47 10.024 21.132 -7.893 1.00 62.13 C ATOM 735 NZ LYS A 47 11.201 21.981 -8.229 1.00 54.34 N ATOM 0 H LYS A 47 4.891 19.527 -11.345 1.00 43.14 H new ATOM 0 HA LYS A 47 7.271 17.834 -10.912 1.00 54.31 H new ATOM 0 HB2 LYS A 47 8.153 20.060 -10.995 1.00 12.41 H new ATOM 0 HB3 LYS A 47 6.804 20.716 -10.089 1.00 12.41 H new ATOM 0 HG2 LYS A 47 7.734 20.205 -8.087 1.00 52.11 H new ATOM 0 HG3 LYS A 47 8.258 18.620 -8.618 1.00 52.11 H new ATOM 0 HD2 LYS A 47 10.356 19.349 -9.044 1.00 22.21 H new ATOM 0 HD3 LYS A 47 9.772 20.709 -9.983 1.00 22.21 H new ATOM 0 HE2 LYS A 47 9.170 21.769 -7.664 1.00 62.13 H new ATOM 0 HE3 LYS A 47 10.239 20.552 -6.996 1.00 62.13 H new ATOM 0 HZ1 LYS A 47 11.416 22.609 -7.428 1.00 54.34 H new ATOM 0 HZ2 LYS A 47 12.023 21.374 -8.423 1.00 54.34 H new ATOM 0 HZ3 LYS A 47 10.987 22.554 -9.070 1.00 54.34 H new ATOM 749 N ALA A 48 6.122 16.874 -8.957 1.00 25.42 N ATOM 750 CA ALA A 48 5.472 16.273 -7.799 1.00 3.25 C ATOM 751 C ALA A 48 5.785 17.052 -6.526 1.00 42.34 C ATOM 752 O ALA A 48 6.937 17.126 -6.098 1.00 75.14 O ATOM 753 CB ALA A 48 5.899 14.820 -7.647 1.00 51.53 C ATOM 0 H ALA A 48 6.780 16.260 -9.438 1.00 25.42 H new ATOM 0 HA ALA A 48 4.395 16.309 -7.961 1.00 3.25 H new ATOM 0 HB1 ALA A 48 5.405 14.385 -6.778 1.00 51.53 H new ATOM 0 HB2 ALA A 48 5.618 14.263 -8.541 1.00 51.53 H new ATOM 0 HB3 ALA A 48 6.980 14.770 -7.513 1.00 51.53 H new ATOM 759 N LYS A 49 4.753 17.635 -5.926 1.00 1.13 N ATOM 760 CA LYS A 49 4.917 18.410 -4.701 1.00 4.42 C ATOM 761 C LYS A 49 5.430 17.531 -3.566 1.00 72.42 C ATOM 762 O LYS A 49 6.386 17.886 -2.876 1.00 24.13 O ATOM 763 CB LYS A 49 3.589 19.055 -4.300 1.00 43.11 C ATOM 764 CG LYS A 49 3.050 20.032 -5.332 1.00 33.32 C ATOM 765 CD LYS A 49 1.635 20.471 -4.999 1.00 50.33 C ATOM 766 CE LYS A 49 1.309 21.820 -5.621 1.00 63.15 C ATOM 767 NZ LYS A 49 0.667 22.741 -4.643 1.00 41.42 N ATOM 0 H LYS A 49 3.793 17.586 -6.268 1.00 1.13 H new ATOM 0 HA LYS A 49 5.651 19.193 -4.891 1.00 4.42 H new ATOM 0 HB2 LYS A 49 2.850 18.271 -4.133 1.00 43.11 H new ATOM 0 HB3 LYS A 49 3.720 19.577 -3.352 1.00 43.11 H new ATOM 0 HG2 LYS A 49 3.700 20.905 -5.382 1.00 33.32 H new ATOM 0 HG3 LYS A 49 3.065 19.567 -6.318 1.00 33.32 H new ATOM 0 HD2 LYS A 49 0.927 19.723 -5.357 1.00 50.33 H new ATOM 0 HD3 LYS A 49 1.516 20.530 -3.917 1.00 50.33 H new ATOM 0 HE2 LYS A 49 2.223 22.275 -6.002 1.00 63.15 H new ATOM 0 HE3 LYS A 49 0.646 21.676 -6.474 1.00 63.15 H new ATOM 0 HZ1 LYS A 49 0.461 23.649 -5.105 1.00 41.42 H new ATOM 0 HZ2 LYS A 49 -0.219 22.319 -4.298 1.00 41.42 H new ATOM 0 HZ3 LYS A 49 1.310 22.899 -3.841 1.00 41.42 H new ATOM 781 N TYR A 50 4.791 16.382 -3.378 1.00 2.52 N ATOM 782 CA TYR A 50 5.182 15.452 -2.325 1.00 34.20 C ATOM 783 C TYR A 50 5.083 14.008 -2.808 1.00 43.45 C ATOM 784 O TYR A 50 4.626 13.745 -3.920 1.00 0.51 O ATOM 785 CB TYR A 50 4.303 15.649 -1.089 1.00 74.45 C ATOM 786 CG TYR A 50 2.924 15.047 -1.225 1.00 5.03 C ATOM 787 CD1 TYR A 50 2.033 15.511 -2.185 1.00 53.42 C ATOM 788 CD2 TYR A 50 2.510 14.014 -0.393 1.00 61.41 C ATOM 789 CE1 TYR A 50 0.771 14.965 -2.312 1.00 3.22 C ATOM 790 CE2 TYR A 50 1.249 13.461 -0.513 1.00 74.54 C ATOM 791 CZ TYR A 50 0.385 13.940 -1.474 1.00 3.33 C ATOM 792 OH TYR A 50 -0.872 13.391 -1.599 1.00 63.34 O ATOM 0 H TYR A 50 3.999 16.072 -3.941 1.00 2.52 H new ATOM 0 HA TYR A 50 6.220 15.658 -2.062 1.00 34.20 H new ATOM 0 HB2 TYR A 50 4.800 15.206 -0.226 1.00 74.45 H new ATOM 0 HB3 TYR A 50 4.206 16.716 -0.889 1.00 74.45 H new ATOM 0 HD1 TYR A 50 2.333 16.313 -2.843 1.00 53.42 H new ATOM 0 HD2 TYR A 50 3.185 13.637 0.361 1.00 61.41 H new ATOM 0 HE1 TYR A 50 0.090 15.338 -3.063 1.00 3.22 H new ATOM 0 HE2 TYR A 50 0.943 12.659 0.142 1.00 74.54 H new ATOM 0 HH TYR A 50 -1.295 13.726 -2.417 1.00 63.34 H new ATOM 802 N TRP A 51 5.515 13.078 -1.965 1.00 23.44 N ATOM 803 CA TRP A 51 5.475 11.661 -2.304 1.00 34.13 C ATOM 804 C TRP A 51 4.092 11.260 -2.807 1.00 40.23 C ATOM 805 O TRP A 51 3.085 11.496 -2.139 1.00 11.32 O ATOM 806 CB TRP A 51 5.855 10.813 -1.089 1.00 1.31 C ATOM 807 CG TRP A 51 6.674 9.608 -1.438 1.00 22.11 C ATOM 808 CD1 TRP A 51 7.963 9.597 -1.892 1.00 12.54 C ATOM 809 CD2 TRP A 51 6.261 8.239 -1.364 1.00 23.42 C ATOM 810 NE1 TRP A 51 8.375 8.302 -2.104 1.00 45.45 N ATOM 811 CE2 TRP A 51 7.349 7.451 -1.786 1.00 2.20 C ATOM 812 CE3 TRP A 51 5.078 7.602 -0.979 1.00 25.14 C ATOM 813 CZ2 TRP A 51 7.287 6.062 -1.835 1.00 33.23 C ATOM 814 CZ3 TRP A 51 5.018 6.222 -1.028 1.00 5.25 C ATOM 815 CH2 TRP A 51 6.117 5.464 -1.453 1.00 22.04 C ATOM 0 H TRP A 51 5.897 13.280 -1.041 1.00 23.44 H new ATOM 0 HA TRP A 51 6.197 11.484 -3.101 1.00 34.13 H new ATOM 0 HB2 TRP A 51 6.412 11.430 -0.384 1.00 1.31 H new ATOM 0 HB3 TRP A 51 4.946 10.491 -0.581 1.00 1.31 H new ATOM 0 HD1 TRP A 51 8.569 10.475 -2.060 1.00 12.54 H new ATOM 0 HE1 TRP A 51 9.295 8.021 -2.443 1.00 45.45 H new ATOM 0 HE3 TRP A 51 4.226 8.178 -0.649 1.00 25.14 H new ATOM 0 HZ2 TRP A 51 8.133 5.476 -2.163 1.00 33.23 H new ATOM 0 HZ3 TRP A 51 4.108 5.719 -0.734 1.00 5.25 H new ATOM 0 HH2 TRP A 51 6.039 4.387 -1.480 1.00 22.04 H new ATOM 826 N THR A 52 4.050 10.652 -3.989 1.00 40.21 N ATOM 827 CA THR A 52 2.790 10.220 -4.581 1.00 22.31 C ATOM 828 C THR A 52 3.024 9.485 -5.896 1.00 62.42 C ATOM 829 O THR A 52 4.022 9.717 -6.580 1.00 2.35 O ATOM 830 CB THR A 52 1.849 11.413 -4.834 1.00 21.43 C ATOM 831 OG1 THR A 52 0.601 10.951 -5.362 1.00 34.44 O ATOM 832 CG2 THR A 52 2.479 12.405 -5.800 1.00 1.15 C ATOM 0 H THR A 52 4.874 10.448 -4.555 1.00 40.21 H new ATOM 0 HA THR A 52 2.322 9.543 -3.867 1.00 22.31 H new ATOM 0 HB THR A 52 1.675 11.917 -3.883 1.00 21.43 H new ATOM 0 HG1 THR A 52 0.009 11.716 -5.518 1.00 34.44 H new ATOM 0 HG21 THR A 52 1.796 13.238 -5.963 1.00 1.15 H new ATOM 0 HG22 THR A 52 3.413 12.778 -5.380 1.00 1.15 H new ATOM 0 HG23 THR A 52 2.680 11.910 -6.750 1.00 1.15 H new ATOM 840 N THR A 53 2.099 8.598 -6.246 1.00 11.42 N ATOM 841 CA THR A 53 2.204 7.829 -7.479 1.00 33.11 C ATOM 842 C THR A 53 0.917 7.913 -8.292 1.00 72.43 C ATOM 843 O THR A 53 -0.102 7.331 -7.921 1.00 64.32 O ATOM 844 CB THR A 53 2.521 6.349 -7.193 1.00 63.21 C ATOM 845 OG1 THR A 53 1.481 5.771 -6.397 1.00 13.10 O ATOM 846 CG2 THR A 53 3.854 6.211 -6.473 1.00 31.11 C ATOM 0 H THR A 53 1.267 8.394 -5.692 1.00 11.42 H new ATOM 0 HA THR A 53 3.022 8.264 -8.053 1.00 33.11 H new ATOM 0 HB THR A 53 2.584 5.823 -8.145 1.00 63.21 H new ATOM 0 HG1 THR A 53 0.612 6.109 -6.699 1.00 13.10 H new ATOM 0 HG21 THR A 53 4.057 5.157 -6.282 1.00 31.11 H new ATOM 0 HG22 THR A 53 4.648 6.626 -7.094 1.00 31.11 H new ATOM 0 HG23 THR A 53 3.814 6.751 -5.527 1.00 31.11 H new ATOM 854 N SER A 54 0.971 8.641 -9.403 1.00 73.35 N ATOM 855 CA SER A 54 -0.192 8.804 -10.267 1.00 40.25 C ATOM 856 C SER A 54 0.132 9.715 -11.448 1.00 22.42 C ATOM 857 O SER A 54 0.960 10.621 -11.356 1.00 50.21 O ATOM 858 CB SER A 54 -1.368 9.377 -9.474 1.00 74.23 C ATOM 859 OG SER A 54 -2.266 10.070 -10.322 1.00 64.03 O ATOM 0 H SER A 54 1.808 9.127 -9.726 1.00 73.35 H new ATOM 0 HA SER A 54 -0.467 7.822 -10.652 1.00 40.25 H new ATOM 0 HB2 SER A 54 -1.894 8.570 -8.964 1.00 74.23 H new ATOM 0 HB3 SER A 54 -0.996 10.052 -8.703 1.00 74.23 H new ATOM 0 HG SER A 54 -3.009 10.425 -9.791 1.00 64.03 H new ATOM 865 N PRO A 55 -0.537 9.471 -12.585 1.00 30.15 N ATOM 866 CA PRO A 55 -0.339 10.257 -13.805 1.00 22.04 C ATOM 867 C PRO A 55 -0.884 11.676 -13.675 1.00 71.44 C ATOM 868 O PRO A 55 -1.758 11.958 -12.856 1.00 24.21 O ATOM 869 CB PRO A 55 -1.125 9.477 -14.861 1.00 45.22 C ATOM 870 CG PRO A 55 -2.165 8.738 -14.091 1.00 64.21 C ATOM 871 CD PRO A 55 -1.539 8.406 -12.765 1.00 25.44 C ATOM 0 HA PRO A 55 0.717 10.379 -14.044 1.00 22.04 H new ATOM 0 HB2 PRO A 55 -1.576 10.147 -15.593 1.00 45.22 H new ATOM 0 HB3 PRO A 55 -0.478 8.793 -15.410 1.00 45.22 H new ATOM 0 HG2 PRO A 55 -3.059 9.347 -13.959 1.00 64.21 H new ATOM 0 HG3 PRO A 55 -2.470 7.833 -14.616 1.00 64.21 H new ATOM 0 HD2 PRO A 55 -2.275 8.407 -11.961 1.00 25.44 H new ATOM 0 HD3 PRO A 55 -1.078 7.418 -12.774 1.00 25.44 H new ATOM 879 N PRO A 56 -0.357 12.591 -14.502 1.00 61.45 N ATOM 880 CA PRO A 56 -0.776 13.995 -14.498 1.00 61.24 C ATOM 881 C PRO A 56 -2.190 14.179 -15.038 1.00 64.32 C ATOM 882 O PRO A 56 -2.547 13.619 -16.075 1.00 62.03 O ATOM 883 CB PRO A 56 0.241 14.672 -15.421 1.00 54.43 C ATOM 884 CG PRO A 56 0.714 13.585 -16.324 1.00 40.52 C ATOM 885 CD PRO A 56 0.689 12.324 -15.504 1.00 45.22 C ATOM 0 HA PRO A 56 -0.800 14.410 -13.490 1.00 61.24 H new ATOM 0 HB2 PRO A 56 -0.216 15.485 -15.985 1.00 54.43 H new ATOM 0 HB3 PRO A 56 1.066 15.102 -14.853 1.00 54.43 H new ATOM 0 HG2 PRO A 56 0.068 13.495 -17.198 1.00 40.52 H new ATOM 0 HG3 PRO A 56 1.719 13.792 -16.691 1.00 40.52 H new ATOM 0 HD2 PRO A 56 0.449 11.453 -16.113 1.00 45.22 H new ATOM 0 HD3 PRO A 56 1.654 12.130 -15.036 1.00 45.22 H new ATOM 893 N SER A 57 -2.991 14.967 -14.329 1.00 42.32 N ATOM 894 CA SER A 57 -4.368 15.223 -14.735 1.00 15.50 C ATOM 895 C SER A 57 -5.085 16.096 -13.711 1.00 65.30 C ATOM 896 O SER A 57 -5.404 17.255 -13.980 1.00 33.32 O ATOM 897 CB SER A 57 -5.122 13.903 -14.914 1.00 23.12 C ATOM 898 OG SER A 57 -6.522 14.097 -14.803 1.00 33.53 O ATOM 0 H SER A 57 -2.710 15.440 -13.470 1.00 42.32 H new ATOM 0 HA SER A 57 -4.347 15.754 -15.686 1.00 15.50 H new ATOM 0 HB2 SER A 57 -4.887 13.475 -15.889 1.00 23.12 H new ATOM 0 HB3 SER A 57 -4.790 13.186 -14.163 1.00 23.12 H new ATOM 0 HG SER A 57 -6.982 13.240 -14.923 1.00 33.53 H new ATOM 904 N ASP A 58 -5.335 15.533 -12.533 1.00 72.24 N ATOM 905 CA ASP A 58 -6.012 16.259 -11.466 1.00 72.23 C ATOM 906 C ASP A 58 -5.386 15.942 -10.111 1.00 5.40 C ATOM 907 O ASP A 58 -5.426 14.802 -9.649 1.00 74.25 O ATOM 908 CB ASP A 58 -7.501 15.911 -11.448 1.00 12.52 C ATOM 909 CG ASP A 58 -8.326 16.855 -12.300 1.00 4.42 C ATOM 910 OD1 ASP A 58 -8.409 16.631 -13.526 1.00 2.03 O ATOM 911 OD2 ASP A 58 -8.891 17.819 -11.740 1.00 12.14 O ATOM 0 H ASP A 58 -5.078 14.575 -12.294 1.00 72.24 H new ATOM 0 HA ASP A 58 -5.899 17.326 -11.658 1.00 72.23 H new ATOM 0 HB2 ASP A 58 -7.637 14.890 -11.806 1.00 12.52 H new ATOM 0 HB3 ASP A 58 -7.866 15.940 -10.421 1.00 12.52 H new ATOM 916 N ASP A 59 -4.810 16.959 -9.480 1.00 65.30 N ATOM 917 CA ASP A 59 -4.175 16.789 -8.177 1.00 43.10 C ATOM 918 C ASP A 59 -4.979 17.490 -7.087 1.00 22.34 C ATOM 919 O ASP A 59 -4.672 18.610 -6.678 1.00 2.41 O ATOM 920 CB ASP A 59 -2.747 17.335 -8.207 1.00 3.32 C ATOM 921 CG ASP A 59 -2.571 18.443 -9.227 1.00 51.30 C ATOM 922 OD1 ASP A 59 -2.290 18.126 -10.402 1.00 45.41 O ATOM 923 OD2 ASP A 59 -2.715 19.625 -8.852 1.00 73.30 O ATOM 0 H ASP A 59 -4.769 17.909 -9.849 1.00 65.30 H new ATOM 0 HA ASP A 59 -4.143 15.723 -7.951 1.00 43.10 H new ATOM 0 HB2 ASP A 59 -2.484 17.711 -7.218 1.00 3.32 H new ATOM 0 HB3 ASP A 59 -2.056 16.523 -8.434 1.00 3.32 H new ATOM 928 N PRO A 60 -6.033 16.816 -6.602 1.00 25.21 N ATOM 929 CA PRO A 60 -6.903 17.356 -5.552 1.00 14.14 C ATOM 930 C PRO A 60 -6.203 17.427 -4.199 1.00 51.25 C ATOM 931 O PRO A 60 -6.657 18.123 -3.291 1.00 20.51 O ATOM 932 CB PRO A 60 -8.061 16.356 -5.503 1.00 41.20 C ATOM 933 CG PRO A 60 -7.484 15.082 -6.017 1.00 55.02 C ATOM 934 CD PRO A 60 -6.457 15.476 -7.042 1.00 45.11 C ATOM 0 HA PRO A 60 -7.213 18.379 -5.765 1.00 14.14 H new ATOM 0 HB2 PRO A 60 -8.439 16.238 -4.488 1.00 41.20 H new ATOM 0 HB3 PRO A 60 -8.897 16.688 -6.118 1.00 41.20 H new ATOM 0 HG2 PRO A 60 -7.030 14.506 -5.211 1.00 55.02 H new ATOM 0 HG3 PRO A 60 -8.257 14.454 -6.460 1.00 55.02 H new ATOM 0 HD2 PRO A 60 -5.621 14.777 -7.063 1.00 45.11 H new ATOM 0 HD3 PRO A 60 -6.880 15.498 -8.047 1.00 45.11 H new ATOM 942 N TYR A 61 -5.096 16.703 -4.072 1.00 61.03 N ATOM 943 CA TYR A 61 -4.334 16.683 -2.830 1.00 25.04 C ATOM 944 C TYR A 61 -2.972 17.343 -3.014 1.00 73.35 C ATOM 945 O TYR A 61 -2.062 17.152 -2.209 1.00 61.33 O ATOM 946 CB TYR A 61 -4.155 15.245 -2.340 1.00 44.21 C ATOM 947 CG TYR A 61 -4.210 14.218 -3.448 1.00 22.14 C ATOM 948 CD1 TYR A 61 -3.141 14.050 -4.320 1.00 20.04 C ATOM 949 CD2 TYR A 61 -5.330 13.414 -3.621 1.00 0.00 C ATOM 950 CE1 TYR A 61 -3.188 13.112 -5.333 1.00 40.43 C ATOM 951 CE2 TYR A 61 -5.384 12.472 -4.630 1.00 51.15 C ATOM 952 CZ TYR A 61 -4.311 12.326 -5.484 1.00 51.24 C ATOM 953 OH TYR A 61 -4.360 11.390 -6.492 1.00 52.45 O ATOM 0 H TYR A 61 -4.707 16.122 -4.815 1.00 61.03 H new ATOM 0 HA TYR A 61 -4.892 17.248 -2.083 1.00 25.04 H new ATOM 0 HB2 TYR A 61 -3.198 15.162 -1.826 1.00 44.21 H new ATOM 0 HB3 TYR A 61 -4.931 15.020 -1.608 1.00 44.21 H new ATOM 0 HD1 TYR A 61 -2.259 14.663 -4.204 1.00 20.04 H new ATOM 0 HD2 TYR A 61 -6.173 13.527 -2.955 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.349 12.995 -6.003 1.00 40.43 H new ATOM 0 HE2 TYR A 61 -6.261 11.854 -4.749 1.00 51.15 H new ATOM 0 HH TYR A 61 -5.219 10.920 -6.460 1.00 52.45 H new ATOM 963 N GLY A 62 -2.839 18.123 -4.084 1.00 12.43 N ATOM 964 CA GLY A 62 -1.585 18.800 -4.357 1.00 64.23 C ATOM 965 C GLY A 62 -0.436 17.833 -4.559 1.00 61.24 C ATOM 966 O GLY A 62 0.621 17.976 -3.944 1.00 1.20 O ATOM 0 H GLY A 62 -3.577 18.297 -4.766 1.00 12.43 H new ATOM 0 HA2 GLY A 62 -1.696 19.419 -5.248 1.00 64.23 H new ATOM 0 HA3 GLY A 62 -1.350 19.471 -3.530 1.00 64.23 H new ATOM 970 N SER A 63 -0.641 16.844 -5.424 1.00 20.34 N ATOM 971 CA SER A 63 0.385 15.846 -5.701 1.00 63.13 C ATOM 972 C SER A 63 1.328 16.328 -6.799 1.00 14.01 C ATOM 973 O SER A 63 2.443 15.823 -6.940 1.00 3.11 O ATOM 974 CB SER A 63 -0.260 14.521 -6.111 1.00 13.11 C ATOM 975 OG SER A 63 -1.295 14.729 -7.057 1.00 23.44 O ATOM 0 H SER A 63 -1.508 16.713 -5.945 1.00 20.34 H new ATOM 0 HA SER A 63 0.964 15.693 -4.790 1.00 63.13 H new ATOM 0 HB2 SER A 63 0.497 13.860 -6.534 1.00 13.11 H new ATOM 0 HB3 SER A 63 -0.663 14.021 -5.230 1.00 13.11 H new ATOM 0 HG SER A 63 -2.165 14.595 -6.625 1.00 23.44 H new ATOM 981 N TRP A 64 0.873 17.304 -7.574 1.00 42.31 N ATOM 982 CA TRP A 64 1.675 17.855 -8.661 1.00 53.13 C ATOM 983 C TRP A 64 1.650 19.379 -8.639 1.00 32.12 C ATOM 984 O TRP A 64 0.779 19.985 -8.014 1.00 74.34 O ATOM 985 CB TRP A 64 1.163 17.344 -10.009 1.00 70.24 C ATOM 986 CG TRP A 64 1.571 15.932 -10.303 1.00 3.32 C ATOM 987 CD1 TRP A 64 0.807 14.810 -10.151 1.00 2.24 C ATOM 988 CD2 TRP A 64 2.841 15.491 -10.797 1.00 24.24 C ATOM 989 NE1 TRP A 64 1.525 13.698 -10.520 1.00 1.43 N ATOM 990 CE2 TRP A 64 2.775 14.090 -10.921 1.00 55.20 C ATOM 991 CE3 TRP A 64 4.025 16.143 -11.148 1.00 43.45 C ATOM 992 CZ2 TRP A 64 3.849 13.332 -11.380 1.00 70.14 C ATOM 993 CZ3 TRP A 64 5.091 15.391 -11.604 1.00 4.44 C ATOM 994 CH2 TRP A 64 4.997 13.997 -11.717 1.00 1.22 C ATOM 0 H TRP A 64 -0.047 17.731 -7.471 1.00 42.31 H new ATOM 0 HA TRP A 64 2.705 17.526 -8.522 1.00 53.13 H new ATOM 0 HB2 TRP A 64 0.075 17.411 -10.025 1.00 70.24 H new ATOM 0 HB3 TRP A 64 1.535 17.994 -10.801 1.00 70.24 H new ATOM 0 HD1 TRP A 64 -0.212 14.799 -9.793 1.00 2.24 H new ATOM 0 HE1 TRP A 64 1.183 12.737 -10.499 1.00 1.43 H new ATOM 0 HE3 TRP A 64 4.106 17.217 -11.065 1.00 43.45 H new ATOM 0 HZ2 TRP A 64 3.779 12.258 -11.467 1.00 70.14 H new ATOM 0 HZ3 TRP A 64 6.011 15.885 -11.878 1.00 4.44 H new ATOM 0 HH2 TRP A 64 5.847 13.437 -12.077 1.00 1.22 H new ATOM 1005 N GLU A 65 2.610 19.993 -9.323 1.00 32.12 N ATOM 1006 CA GLU A 65 2.697 21.448 -9.380 1.00 31.35 C ATOM 1007 C GLU A 65 3.089 21.915 -10.778 1.00 43.23 C ATOM 1008 O GLU A 65 4.217 21.699 -11.223 1.00 51.32 O ATOM 1009 CB GLU A 65 3.712 21.960 -8.356 1.00 4.12 C ATOM 1010 CG GLU A 65 3.763 23.476 -8.256 1.00 12.10 C ATOM 1011 CD GLU A 65 4.795 23.960 -7.256 1.00 20.30 C ATOM 1012 OE1 GLU A 65 5.523 23.114 -6.697 1.00 33.12 O ATOM 1013 OE2 GLU A 65 4.874 25.187 -7.033 1.00 35.04 O ATOM 0 H GLU A 65 3.338 19.506 -9.845 1.00 32.12 H new ATOM 0 HA GLU A 65 1.714 21.855 -9.142 1.00 31.35 H new ATOM 0 HB2 GLU A 65 3.468 21.548 -7.377 1.00 4.12 H new ATOM 0 HB3 GLU A 65 4.702 21.588 -8.621 1.00 4.12 H new ATOM 0 HG2 GLU A 65 3.989 23.894 -9.237 1.00 12.10 H new ATOM 0 HG3 GLU A 65 2.781 23.851 -7.969 1.00 12.10 H new ATOM 1020 N TYR A 66 2.151 22.555 -11.466 1.00 63.03 N ATOM 1021 CA TYR A 66 2.396 23.051 -12.815 1.00 52.34 C ATOM 1022 C TYR A 66 3.535 24.067 -12.824 1.00 4.44 C ATOM 1023 O TYR A 66 3.402 25.171 -12.293 1.00 11.13 O ATOM 1024 CB TYR A 66 1.127 23.685 -13.386 1.00 52.45 C ATOM 1025 CG TYR A 66 1.083 23.698 -14.898 1.00 34.24 C ATOM 1026 CD1 TYR A 66 1.409 22.563 -15.631 1.00 74.21 C ATOM 1027 CD2 TYR A 66 0.716 24.843 -15.593 1.00 41.53 C ATOM 1028 CE1 TYR A 66 1.372 22.570 -17.012 1.00 41.23 C ATOM 1029 CE2 TYR A 66 0.675 24.859 -16.974 1.00 4.44 C ATOM 1030 CZ TYR A 66 1.004 23.720 -17.679 1.00 10.22 C ATOM 1031 OH TYR A 66 0.963 23.731 -19.054 1.00 54.02 O ATOM 0 H TYR A 66 1.213 22.743 -11.112 1.00 63.03 H new ATOM 0 HA TYR A 66 2.684 22.205 -13.439 1.00 52.34 H new ATOM 0 HB2 TYR A 66 0.259 23.142 -13.010 1.00 52.45 H new ATOM 0 HB3 TYR A 66 1.046 24.708 -13.020 1.00 52.45 H new ATOM 0 HD1 TYR A 66 1.696 21.660 -15.112 1.00 74.21 H new ATOM 0 HD2 TYR A 66 0.458 25.737 -15.044 1.00 41.53 H new ATOM 0 HE1 TYR A 66 1.630 21.680 -17.566 1.00 41.23 H new ATOM 0 HE2 TYR A 66 0.387 25.758 -17.498 1.00 4.44 H new ATOM 0 HH TYR A 66 0.684 24.617 -19.366 1.00 54.02 H new ATOM 1041 N LEU A 67 4.653 23.686 -13.431 1.00 61.32 N ATOM 1042 CA LEU A 67 5.817 24.564 -13.511 1.00 13.34 C ATOM 1043 C LEU A 67 5.878 25.265 -14.863 1.00 52.23 C ATOM 1044 O LEU A 67 6.654 26.200 -15.055 1.00 15.22 O ATOM 1045 CB LEU A 67 7.099 23.763 -13.279 1.00 61.54 C ATOM 1046 CG LEU A 67 7.218 23.062 -11.925 1.00 74.14 C ATOM 1047 CD1 LEU A 67 8.606 22.462 -11.755 1.00 64.14 C ATOM 1048 CD2 LEU A 67 6.912 24.033 -10.794 1.00 73.23 C ATOM 0 H LEU A 67 4.779 22.776 -13.875 1.00 61.32 H new ATOM 0 HA LEU A 67 5.724 25.323 -12.734 1.00 13.34 H new ATOM 0 HB2 LEU A 67 7.180 23.010 -14.063 1.00 61.54 H new ATOM 0 HB3 LEU A 67 7.949 24.435 -13.393 1.00 61.54 H new ATOM 0 HG LEU A 67 6.488 22.253 -11.890 1.00 74.14 H new ATOM 0 HD11 LEU A 67 8.672 21.967 -10.786 1.00 64.14 H new ATOM 0 HD12 LEU A 67 8.788 21.735 -12.547 1.00 64.14 H new ATOM 0 HD13 LEU A 67 9.354 23.253 -11.810 1.00 64.14 H new ATOM 0 HD21 LEU A 67 7.001 23.518 -9.838 1.00 73.23 H new ATOM 0 HD22 LEU A 67 7.618 24.863 -10.826 1.00 73.23 H new ATOM 0 HD23 LEU A 67 5.897 24.415 -10.907 1.00 73.23 H new ATOM 1060 N GLY A 68 5.052 24.808 -15.800 1.00 11.14 N ATOM 1061 CA GLY A 68 5.027 25.404 -17.123 1.00 22.24 C ATOM 1062 C GLY A 68 4.766 24.384 -18.213 1.00 62.35 C ATOM 1063 O GLY A 68 3.859 23.561 -18.098 1.00 2.02 O ATOM 0 H GLY A 68 4.400 24.035 -15.666 1.00 11.14 H new ATOM 0 HA2 GLY A 68 4.255 26.173 -17.157 1.00 22.24 H new ATOM 0 HA3 GLY A 68 5.979 25.899 -17.313 1.00 22.24 H new ATOM 1067 N GLU A 69 5.564 24.440 -19.276 1.00 1.20 N ATOM 1068 CA GLU A 69 5.412 23.515 -20.393 1.00 0.13 C ATOM 1069 C GLU A 69 6.768 23.169 -21.002 1.00 23.33 C ATOM 1070 O GLU A 69 7.745 23.896 -20.820 1.00 42.54 O ATOM 1071 CB GLU A 69 4.499 24.117 -21.463 1.00 22.21 C ATOM 1072 CG GLU A 69 3.146 23.434 -21.563 1.00 43.33 C ATOM 1073 CD GLU A 69 2.154 24.225 -22.395 1.00 33.04 C ATOM 1074 OE1 GLU A 69 2.183 25.471 -22.326 1.00 32.23 O ATOM 1075 OE2 GLU A 69 1.347 23.597 -23.113 1.00 22.51 O ATOM 0 H GLU A 69 6.321 25.115 -19.386 1.00 1.20 H new ATOM 0 HA GLU A 69 4.959 22.599 -20.013 1.00 0.13 H new ATOM 0 HB2 GLU A 69 4.348 25.174 -21.246 1.00 22.21 H new ATOM 0 HB3 GLU A 69 4.999 24.058 -22.430 1.00 22.21 H new ATOM 0 HG2 GLU A 69 3.274 22.444 -22.001 1.00 43.33 H new ATOM 0 HG3 GLU A 69 2.741 23.289 -20.561 1.00 43.33 H new ATOM 1082 N ALA A 70 6.819 22.054 -21.724 1.00 64.42 N ATOM 1083 CA ALA A 70 8.054 21.613 -22.360 1.00 20.41 C ATOM 1084 C ALA A 70 8.477 22.575 -23.465 1.00 40.51 C ATOM 1085 O ALA A 70 9.654 22.909 -23.594 1.00 32.42 O ATOM 1086 CB ALA A 70 7.888 20.207 -22.916 1.00 21.52 C ATOM 0 H ALA A 70 6.020 21.440 -21.883 1.00 64.42 H new ATOM 0 HA ALA A 70 8.839 21.603 -21.604 1.00 20.41 H new ATOM 0 HB1 ALA A 70 8.818 19.890 -23.388 1.00 21.52 H new ATOM 0 HB2 ALA A 70 7.641 19.522 -22.105 1.00 21.52 H new ATOM 0 HB3 ALA A 70 7.086 20.200 -23.654 1.00 21.52 H new ATOM 1092 N GLU A 71 7.507 23.016 -24.262 1.00 21.35 N ATOM 1093 CA GLU A 71 7.780 23.939 -25.358 1.00 33.11 C ATOM 1094 C GLU A 71 6.937 25.203 -25.227 1.00 23.32 C ATOM 1095 O GLU A 71 5.732 25.206 -25.480 1.00 73.31 O ATOM 1096 CB GLU A 71 7.503 23.263 -26.702 1.00 40.13 C ATOM 1097 CG GLU A 71 8.628 22.357 -27.173 1.00 34.24 C ATOM 1098 CD GLU A 71 9.130 22.719 -28.556 1.00 72.12 C ATOM 1099 OE1 GLU A 71 8.322 22.683 -29.509 1.00 2.13 O ATOM 1100 OE2 GLU A 71 10.330 23.039 -28.688 1.00 53.41 O ATOM 0 H GLU A 71 6.527 22.749 -24.169 1.00 21.35 H new ATOM 0 HA GLU A 71 8.832 24.220 -25.311 1.00 33.11 H new ATOM 0 HB2 GLU A 71 6.587 22.678 -26.623 1.00 40.13 H new ATOM 0 HB3 GLU A 71 7.327 24.031 -27.455 1.00 40.13 H new ATOM 0 HG2 GLU A 71 9.455 22.413 -26.465 1.00 34.24 H new ATOM 0 HG3 GLU A 71 8.280 21.324 -27.176 1.00 34.24 H new ATOM 1107 N PRO A 72 7.584 26.306 -24.821 1.00 50.13 N ATOM 1108 CA PRO A 72 6.915 27.599 -24.648 1.00 1.54 C ATOM 1109 C PRO A 72 6.492 28.216 -25.976 1.00 54.41 C ATOM 1110 O PRO A 72 7.247 28.199 -26.950 1.00 22.30 O ATOM 1111 CB PRO A 72 7.981 28.463 -23.972 1.00 30.20 C ATOM 1112 CG PRO A 72 9.278 27.853 -24.380 1.00 1.33 C ATOM 1113 CD PRO A 72 9.020 26.376 -24.503 1.00 62.14 C ATOM 0 HA PRO A 72 5.994 27.507 -24.072 1.00 1.54 H new ATOM 0 HB2 PRO A 72 7.913 29.502 -24.296 1.00 30.20 H new ATOM 0 HB3 PRO A 72 7.865 28.459 -22.888 1.00 30.20 H new ATOM 0 HG2 PRO A 72 9.624 28.269 -25.326 1.00 1.33 H new ATOM 0 HG3 PRO A 72 10.053 28.054 -23.641 1.00 1.33 H new ATOM 0 HD2 PRO A 72 9.628 25.926 -25.288 1.00 62.14 H new ATOM 0 HD3 PRO A 72 9.253 25.849 -23.578 1.00 62.14 H new ATOM 1121 N THR A 73 5.281 28.761 -26.012 1.00 4.34 N ATOM 1122 CA THR A 73 4.757 29.383 -27.222 1.00 62.11 C ATOM 1123 C THR A 73 5.710 30.452 -27.746 1.00 4.24 C ATOM 1124 O THR A 73 5.505 31.004 -28.827 1.00 51.21 O ATOM 1125 CB THR A 73 3.376 30.020 -26.974 1.00 14.55 C ATOM 1126 OG1 THR A 73 3.390 30.759 -25.749 1.00 24.32 O ATOM 1127 CG2 THR A 73 2.293 28.953 -26.916 1.00 45.32 C ATOM 0 H THR A 73 4.643 28.785 -25.216 1.00 4.34 H new ATOM 0 HA THR A 73 4.656 28.593 -27.966 1.00 62.11 H new ATOM 0 HB THR A 73 3.157 30.695 -27.801 1.00 14.55 H new ATOM 0 HG1 THR A 73 2.509 31.162 -25.600 1.00 24.32 H new ATOM 0 HG21 THR A 73 1.326 29.425 -26.740 1.00 45.32 H new ATOM 0 HG22 THR A 73 2.265 28.411 -27.861 1.00 45.32 H new ATOM 0 HG23 THR A 73 2.510 28.258 -26.105 1.00 45.32 H new TER 1135 THR A 73