USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 651 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 36 ASN : amide:sc= 0.961 K(o=1.9,f=-3.2!) USER MOD Set 1.2: A 38 THR OG1 : rot 74:sc= 0.923 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.385 K(o=-0.39,f=-6.4!) USER MOD Single : A 32 ASN : amide:sc= -1.52 K(o=-1.5,f=-4.5!) USER MOD Single : A 34 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.23) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 55 SER OG : rot 171:sc= 0.968 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.038 F(o=-0.7,f=-0.038) USER MOD Single : A 82 HIS :FLIP no HE2:sc= 0.0318 F(o=-0.62,f=0.032) USER MOD Single : A 84 GLN : amide:sc= -0.995 K(o=-0.99,f=-3.9!) USER MOD Single : A 85 GLN : amide:sc= 0.0239 X(o=0.024,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 173:sc=-0.00764 (180deg=-0.0791) USER MOD Single : A 90 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.12) USER MOD Single : A 91 LYS NZ :NH3+ 135:sc= 1.06 (180deg=0.0791) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 50:sc= 0.0349 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 105:sc= 0.0683 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.0551 K(o=-0.055,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 15.083 -9.544 7.728 1.00 0.00 N ATOM 2 CA MET A 21 13.811 -10.277 7.931 1.00 0.00 C ATOM 3 C MET A 21 12.878 -10.074 6.721 1.00 0.00 C ATOM 4 O MET A 21 13.123 -9.192 5.884 1.00 0.00 O ATOM 5 CB MET A 21 13.139 -9.831 9.268 1.00 0.00 C ATOM 6 CG MET A 21 12.846 -8.320 9.408 1.00 0.00 C ATOM 7 SD MET A 21 11.550 -7.716 8.290 1.00 0.00 S ATOM 8 CE MET A 21 11.505 -5.964 8.690 1.00 0.00 C ATOM 0 HA MET A 21 14.019 -11.344 8.008 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.201 -10.375 9.379 1.00 0.00 H new ATOM 0 HB3 MET A 21 13.783 -10.134 10.094 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.552 -8.111 10.436 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.764 -7.763 9.219 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.752 -5.470 8.076 1.00 0.00 H new ATOM 0 HE2 MET A 21 11.255 -5.838 9.743 1.00 0.00 H new ATOM 0 HE3 MET A 21 12.481 -5.521 8.493 1.00 0.00 H new ATOM 18 N ALA A 22 11.819 -10.919 6.640 1.00 0.00 N ATOM 19 CA ALA A 22 10.781 -10.865 5.576 1.00 0.00 C ATOM 20 C ALA A 22 11.382 -11.091 4.167 1.00 0.00 C ATOM 21 O ALA A 22 10.837 -10.619 3.160 1.00 0.00 O ATOM 22 CB ALA A 22 9.975 -9.544 5.655 1.00 0.00 C ATOM 0 H ALA A 22 11.659 -11.665 7.317 1.00 0.00 H new ATOM 0 HA ALA A 22 10.087 -11.687 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.223 -9.529 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.485 -9.475 6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.650 -8.698 5.528 1.00 0.00 H new ATOM 28 N SER A 23 12.488 -11.861 4.106 1.00 0.00 N ATOM 29 CA SER A 23 13.208 -12.146 2.856 1.00 0.00 C ATOM 30 C SER A 23 13.966 -13.478 2.985 1.00 0.00 C ATOM 31 O SER A 23 14.631 -13.720 4.000 1.00 0.00 O ATOM 32 CB SER A 23 14.185 -10.988 2.526 1.00 0.00 C ATOM 33 OG SER A 23 14.901 -11.214 1.316 1.00 0.00 O ATOM 0 H SER A 23 12.905 -12.302 4.926 1.00 0.00 H new ATOM 0 HA SER A 23 12.491 -12.230 2.039 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.626 -10.056 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.892 -10.867 3.347 1.00 0.00 H new ATOM 0 HG SER A 23 15.503 -10.459 1.146 1.00 0.00 H new ATOM 39 N GLY A 24 13.848 -14.333 1.957 1.00 0.00 N ATOM 40 CA GLY A 24 14.548 -15.620 1.923 1.00 0.00 C ATOM 41 C GLY A 24 13.853 -16.725 2.722 1.00 0.00 C ATOM 42 O GLY A 24 14.444 -17.785 2.950 1.00 0.00 O ATOM 0 H GLY A 24 13.271 -14.152 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.646 -15.942 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.557 -15.484 2.312 1.00 0.00 H new ATOM 46 N TRP A 25 12.600 -16.473 3.158 1.00 0.00 N ATOM 47 CA TRP A 25 11.780 -17.491 3.857 1.00 0.00 C ATOM 48 C TRP A 25 10.938 -18.293 2.841 1.00 0.00 C ATOM 49 O TRP A 25 10.766 -19.508 2.989 1.00 0.00 O ATOM 50 CB TRP A 25 10.890 -16.837 4.957 1.00 0.00 C ATOM 51 CG TRP A 25 9.862 -15.841 4.451 1.00 0.00 C ATOM 52 CD1 TRP A 25 10.090 -14.546 4.082 1.00 0.00 C ATOM 53 CD2 TRP A 25 8.453 -16.055 4.287 1.00 0.00 C ATOM 54 NE1 TRP A 25 8.927 -13.961 3.660 1.00 0.00 N ATOM 55 CE2 TRP A 25 7.906 -14.863 3.787 1.00 0.00 C ATOM 56 CE3 TRP A 25 7.603 -17.141 4.509 1.00 0.00 C ATOM 57 CZ2 TRP A 25 6.551 -14.724 3.491 1.00 0.00 C ATOM 58 CZ3 TRP A 25 6.256 -17.002 4.223 1.00 0.00 C ATOM 59 CH2 TRP A 25 5.740 -15.798 3.724 1.00 0.00 C ATOM 0 H TRP A 25 12.133 -15.574 3.039 1.00 0.00 H new ATOM 0 HA TRP A 25 12.449 -18.189 4.361 1.00 0.00 H new ATOM 0 HB2 TRP A 25 10.370 -17.628 5.498 1.00 0.00 H new ATOM 0 HB3 TRP A 25 11.538 -16.333 5.674 1.00 0.00 H new ATOM 0 HD1 TRP A 25 11.051 -14.054 4.118 1.00 0.00 H new ATOM 0 HE1 TRP A 25 8.836 -13.008 3.308 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.990 -18.072 4.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.157 -13.801 3.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.590 -17.836 4.387 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.682 -15.718 3.520 1.00 0.00 H new ATOM 70 N ALA A 26 10.427 -17.585 1.818 1.00 0.00 N ATOM 71 CA ALA A 26 9.611 -18.167 0.727 1.00 0.00 C ATOM 72 C ALA A 26 9.538 -17.177 -0.454 1.00 0.00 C ATOM 73 O ALA A 26 8.568 -17.164 -1.224 1.00 0.00 O ATOM 74 CB ALA A 26 8.201 -18.511 1.245 1.00 0.00 C ATOM 0 H ALA A 26 10.569 -16.580 1.721 1.00 0.00 H new ATOM 0 HA ALA A 26 10.078 -19.088 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.610 -18.938 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.278 -19.233 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.716 -17.605 1.609 1.00 0.00 H new ATOM 80 N ASN A 27 10.612 -16.399 -0.607 1.00 0.00 N ATOM 81 CA ASN A 27 10.676 -15.252 -1.518 1.00 0.00 C ATOM 82 C ASN A 27 12.148 -14.959 -1.867 1.00 0.00 C ATOM 83 O ASN A 27 12.920 -14.455 -1.035 1.00 0.00 O ATOM 84 CB ASN A 27 9.947 -14.023 -0.888 1.00 0.00 C ATOM 85 CG ASN A 27 10.433 -13.658 0.525 1.00 0.00 C ATOM 86 OD1 ASN A 27 11.029 -14.474 1.237 1.00 0.00 O ATOM 87 ND2 ASN A 27 10.141 -12.450 0.959 1.00 0.00 N ATOM 0 H ASN A 27 11.479 -16.551 -0.091 1.00 0.00 H new ATOM 0 HA ASN A 27 10.157 -15.479 -2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.082 -13.161 -1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.877 -14.229 -0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.407 -12.169 1.903 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.648 -11.795 0.352 1.00 0.00 H new ATOM 94 N ASP A 28 12.525 -15.320 -3.106 1.00 0.00 N ATOM 95 CA ASP A 28 13.918 -15.252 -3.584 1.00 0.00 C ATOM 96 C ASP A 28 13.953 -15.290 -5.124 1.00 0.00 C ATOM 97 O ASP A 28 12.908 -15.409 -5.779 1.00 0.00 O ATOM 98 CB ASP A 28 14.730 -16.446 -2.979 1.00 0.00 C ATOM 99 CG ASP A 28 16.253 -16.310 -3.112 1.00 0.00 C ATOM 100 OD1 ASP A 28 16.841 -15.430 -2.444 1.00 0.00 O ATOM 101 OD2 ASP A 28 16.864 -17.043 -3.924 1.00 0.00 O ATOM 0 H ASP A 28 11.871 -15.668 -3.807 1.00 0.00 H new ATOM 0 HA ASP A 28 14.371 -14.315 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 28 14.477 -16.543 -1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 28 14.416 -17.368 -3.468 1.00 0.00 H new ATOM 106 N ASP A 29 15.163 -15.210 -5.690 1.00 0.00 N ATOM 107 CA ASP A 29 15.389 -15.316 -7.144 1.00 0.00 C ATOM 108 C ASP A 29 15.240 -16.789 -7.586 1.00 0.00 C ATOM 109 O ASP A 29 14.748 -17.078 -8.673 1.00 0.00 O ATOM 110 CB ASP A 29 16.788 -14.764 -7.511 1.00 0.00 C ATOM 111 CG ASP A 29 17.043 -14.676 -9.031 1.00 0.00 C ATOM 112 OD1 ASP A 29 16.455 -13.790 -9.687 1.00 0.00 O ATOM 113 OD2 ASP A 29 17.848 -15.467 -9.571 1.00 0.00 O ATOM 0 H ASP A 29 16.019 -15.069 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 29 14.645 -14.719 -7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.903 -13.772 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.549 -15.401 -7.060 1.00 0.00 H new ATOM 118 N ALA A 30 15.611 -17.710 -6.684 1.00 0.00 N ATOM 119 CA ALA A 30 15.458 -19.162 -6.893 1.00 0.00 C ATOM 120 C ALA A 30 13.978 -19.611 -6.729 1.00 0.00 C ATOM 121 O ALA A 30 13.649 -20.784 -6.926 1.00 0.00 O ATOM 122 CB ALA A 30 16.398 -19.928 -5.937 1.00 0.00 C ATOM 0 H ALA A 30 16.028 -17.470 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 30 15.741 -19.398 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 30 16.282 -21.000 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 30 17.431 -19.642 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 30 16.146 -19.683 -4.905 1.00 0.00 H new ATOM 128 N VAL A 31 13.090 -18.661 -6.382 1.00 0.00 N ATOM 129 CA VAL A 31 11.641 -18.907 -6.232 1.00 0.00 C ATOM 130 C VAL A 31 10.890 -18.403 -7.485 1.00 0.00 C ATOM 131 O VAL A 31 9.951 -19.064 -7.962 1.00 0.00 O ATOM 132 CB VAL A 31 11.080 -18.222 -4.928 1.00 0.00 C ATOM 133 CG1 VAL A 31 9.539 -18.363 -4.801 1.00 0.00 C ATOM 134 CG2 VAL A 31 11.791 -18.783 -3.669 1.00 0.00 C ATOM 0 H VAL A 31 13.358 -17.695 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 31 11.480 -19.981 -6.134 1.00 0.00 H new ATOM 0 HB VAL A 31 11.294 -17.156 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.203 -17.874 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.059 -17.894 -5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.272 -19.419 -4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.391 -18.298 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.622 -19.858 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.861 -18.588 -3.738 1.00 0.00 H new ATOM 144 N ASN A 32 11.356 -17.258 -8.052 1.00 0.00 N ATOM 145 CA ASN A 32 10.696 -16.598 -9.217 1.00 0.00 C ATOM 146 C ASN A 32 10.863 -17.417 -10.523 1.00 0.00 C ATOM 147 O ASN A 32 10.221 -17.109 -11.537 1.00 0.00 O ATOM 148 CB ASN A 32 11.192 -15.117 -9.398 1.00 0.00 C ATOM 149 CG ASN A 32 12.659 -14.938 -9.842 1.00 0.00 C ATOM 150 OD1 ASN A 32 13.218 -15.738 -10.594 1.00 0.00 O ATOM 151 ND2 ASN A 32 13.291 -13.868 -9.381 1.00 0.00 N ATOM 0 H ASN A 32 12.188 -16.770 -7.722 1.00 0.00 H new ATOM 0 HA ASN A 32 9.629 -16.563 -8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 32 10.550 -14.628 -10.131 1.00 0.00 H new ATOM 0 HB3 ASN A 32 11.054 -14.592 -8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.260 -13.694 -9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 32 12.808 -13.219 -8.759 1.00 0.00 H new ATOM 158 N GLU A 33 11.730 -18.453 -10.472 1.00 0.00 N ATOM 159 CA GLU A 33 12.024 -19.344 -11.619 1.00 0.00 C ATOM 160 C GLU A 33 10.744 -19.995 -12.178 1.00 0.00 C ATOM 161 O GLU A 33 10.557 -20.056 -13.391 1.00 0.00 O ATOM 162 CB GLU A 33 12.988 -20.476 -11.196 1.00 0.00 C ATOM 163 CG GLU A 33 14.256 -20.037 -10.448 1.00 0.00 C ATOM 164 CD GLU A 33 15.231 -21.209 -10.257 1.00 0.00 C ATOM 165 OE1 GLU A 33 15.910 -21.586 -11.233 1.00 0.00 O ATOM 166 OE2 GLU A 33 15.310 -21.779 -9.146 1.00 0.00 O ATOM 0 H GLU A 33 12.249 -18.697 -9.629 1.00 0.00 H new ATOM 0 HA GLU A 33 12.480 -18.722 -12.389 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.441 -21.175 -10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 33 13.288 -21.023 -12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.749 -19.239 -11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.983 -19.627 -9.476 1.00 0.00 H new ATOM 173 N GLN A 34 9.877 -20.460 -11.255 1.00 0.00 N ATOM 174 CA GLN A 34 8.648 -21.209 -11.588 1.00 0.00 C ATOM 175 C GLN A 34 7.643 -20.341 -12.387 1.00 0.00 C ATOM 176 O GLN A 34 6.884 -20.850 -13.223 1.00 0.00 O ATOM 177 CB GLN A 34 7.998 -21.774 -10.291 1.00 0.00 C ATOM 178 CG GLN A 34 6.752 -22.669 -10.519 1.00 0.00 C ATOM 179 CD GLN A 34 7.015 -23.902 -11.404 1.00 0.00 C ATOM 180 OE1 GLN A 34 8.115 -24.458 -11.417 1.00 0.00 O ATOM 181 NE2 GLN A 34 6.000 -24.349 -12.134 1.00 0.00 N ATOM 0 H GLN A 34 10.011 -20.326 -10.253 1.00 0.00 H new ATOM 0 HA GLN A 34 8.925 -22.044 -12.232 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.747 -22.351 -9.749 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.714 -20.939 -9.651 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.376 -23.003 -9.552 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.966 -22.068 -10.976 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.100 -23.869 -12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.120 -25.172 -12.725 1.00 0.00 H new ATOM 190 N ILE A 35 7.665 -19.023 -12.123 1.00 0.00 N ATOM 191 CA ILE A 35 6.789 -18.041 -12.795 1.00 0.00 C ATOM 192 C ILE A 35 7.404 -17.613 -14.159 1.00 0.00 C ATOM 193 O ILE A 35 6.707 -17.079 -15.026 1.00 0.00 O ATOM 194 CB ILE A 35 6.529 -16.792 -11.863 1.00 0.00 C ATOM 195 CG1 ILE A 35 6.105 -17.241 -10.418 1.00 0.00 C ATOM 196 CG2 ILE A 35 5.471 -15.836 -12.464 1.00 0.00 C ATOM 197 CD1 ILE A 35 4.838 -18.088 -10.336 1.00 0.00 C ATOM 0 H ILE A 35 8.292 -18.605 -11.436 1.00 0.00 H new ATOM 0 HA ILE A 35 5.825 -18.510 -12.992 1.00 0.00 H new ATOM 0 HB ILE A 35 7.469 -16.245 -11.793 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.927 -17.805 -9.976 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.965 -16.350 -9.806 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.321 -14.990 -11.793 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.816 -15.474 -13.432 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.529 -16.369 -12.591 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.637 -18.342 -9.295 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.997 -17.525 -10.741 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.974 -19.003 -10.913 1.00 0.00 H new ATOM 209 N ASN A 36 8.705 -17.889 -14.355 1.00 0.00 N ATOM 210 CA ASN A 36 9.426 -17.538 -15.602 1.00 0.00 C ATOM 211 C ASN A 36 9.109 -18.562 -16.728 1.00 0.00 C ATOM 212 O ASN A 36 8.824 -19.736 -16.458 1.00 0.00 O ATOM 213 CB ASN A 36 10.960 -17.479 -15.325 1.00 0.00 C ATOM 214 CG ASN A 36 11.770 -16.923 -16.505 1.00 0.00 C ATOM 215 OD1 ASN A 36 12.176 -17.658 -17.397 1.00 0.00 O ATOM 216 ND2 ASN A 36 12.005 -15.613 -16.513 1.00 0.00 N ATOM 0 H ASN A 36 9.288 -18.358 -13.662 1.00 0.00 H new ATOM 0 HA ASN A 36 9.091 -16.557 -15.939 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.140 -16.860 -14.446 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.318 -18.481 -15.088 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.537 -15.195 -17.277 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.654 -15.027 -15.756 1.00 0.00 H new ATOM 223 N SER A 37 9.217 -18.099 -17.993 1.00 0.00 N ATOM 224 CA SER A 37 8.856 -18.869 -19.211 1.00 0.00 C ATOM 225 C SER A 37 9.843 -20.016 -19.541 1.00 0.00 C ATOM 226 O SER A 37 9.606 -20.781 -20.485 1.00 0.00 O ATOM 227 CB SER A 37 8.744 -17.893 -20.410 1.00 0.00 C ATOM 228 OG SER A 37 9.872 -17.028 -20.473 1.00 0.00 O ATOM 0 H SER A 37 9.563 -17.163 -18.203 1.00 0.00 H new ATOM 0 HA SER A 37 7.899 -19.352 -19.014 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.664 -18.459 -21.338 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.833 -17.302 -20.318 1.00 0.00 H new ATOM 0 HG SER A 37 9.778 -16.423 -21.239 1.00 0.00 H new ATOM 234 N THR A 38 10.935 -20.128 -18.771 1.00 0.00 N ATOM 235 CA THR A 38 11.888 -21.245 -18.890 1.00 0.00 C ATOM 236 C THR A 38 11.187 -22.596 -18.597 1.00 0.00 C ATOM 237 O THR A 38 11.434 -23.603 -19.269 1.00 0.00 O ATOM 238 CB THR A 38 13.096 -21.048 -17.916 1.00 0.00 C ATOM 239 OG1 THR A 38 13.795 -19.839 -18.249 1.00 0.00 O ATOM 240 CG2 THR A 38 14.080 -22.225 -17.962 1.00 0.00 C ATOM 0 H THR A 38 11.183 -19.450 -18.050 1.00 0.00 H new ATOM 0 HA THR A 38 12.263 -21.259 -19.913 1.00 0.00 H new ATOM 0 HB THR A 38 12.690 -20.990 -16.906 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.269 -19.066 -17.955 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.901 -22.041 -17.269 1.00 0.00 H new ATOM 0 HG22 THR A 38 13.564 -23.142 -17.678 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.475 -22.329 -18.972 1.00 0.00 H new ATOM 248 N ILE A 39 10.274 -22.567 -17.609 1.00 0.00 N ATOM 249 CA ILE A 39 9.568 -23.761 -17.116 1.00 0.00 C ATOM 250 C ILE A 39 8.557 -24.263 -18.161 1.00 0.00 C ATOM 251 O ILE A 39 8.471 -25.469 -18.406 1.00 0.00 O ATOM 252 CB ILE A 39 8.842 -23.475 -15.741 1.00 0.00 C ATOM 253 CG1 ILE A 39 9.837 -22.837 -14.720 1.00 0.00 C ATOM 254 CG2 ILE A 39 8.169 -24.750 -15.157 1.00 0.00 C ATOM 255 CD1 ILE A 39 11.105 -23.626 -14.465 1.00 0.00 C ATOM 0 H ILE A 39 10.005 -21.709 -17.128 1.00 0.00 H new ATOM 0 HA ILE A 39 10.312 -24.539 -16.947 1.00 0.00 H new ATOM 0 HB ILE A 39 8.041 -22.761 -15.933 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.113 -21.846 -15.079 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.318 -22.700 -13.771 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.683 -24.505 -14.213 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.426 -25.124 -15.861 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.926 -25.516 -14.987 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.725 -23.095 -13.742 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.849 -24.609 -14.071 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.655 -23.742 -15.399 1.00 0.00 H new ATOM 267 N GLU A 40 7.841 -23.328 -18.813 1.00 0.00 N ATOM 268 CA GLU A 40 6.803 -23.688 -19.811 1.00 0.00 C ATOM 269 C GLU A 40 7.467 -24.270 -21.074 1.00 0.00 C ATOM 270 O GLU A 40 6.931 -25.179 -21.714 1.00 0.00 O ATOM 271 CB GLU A 40 5.904 -22.464 -20.166 1.00 0.00 C ATOM 272 CG GLU A 40 6.534 -21.431 -21.128 1.00 0.00 C ATOM 273 CD GLU A 40 5.556 -20.339 -21.580 1.00 0.00 C ATOM 274 OE1 GLU A 40 4.794 -20.570 -22.544 1.00 0.00 O ATOM 275 OE2 GLU A 40 5.538 -19.249 -20.974 1.00 0.00 O ATOM 0 H GLU A 40 7.957 -22.324 -18.672 1.00 0.00 H new ATOM 0 HA GLU A 40 6.156 -24.448 -19.373 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.979 -22.832 -20.611 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.632 -21.955 -19.241 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.387 -20.963 -20.637 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.917 -21.951 -22.006 1.00 0.00 H new ATOM 282 N ASP A 41 8.658 -23.730 -21.392 1.00 0.00 N ATOM 283 CA ASP A 41 9.488 -24.169 -22.526 1.00 0.00 C ATOM 284 C ASP A 41 10.089 -25.552 -22.242 1.00 0.00 C ATOM 285 O ASP A 41 10.237 -26.383 -23.149 1.00 0.00 O ATOM 286 CB ASP A 41 10.598 -23.124 -22.792 1.00 0.00 C ATOM 287 CG ASP A 41 11.579 -23.532 -23.904 1.00 0.00 C ATOM 288 OD1 ASP A 41 11.191 -23.533 -25.092 1.00 0.00 O ATOM 289 OD2 ASP A 41 12.751 -23.852 -23.593 1.00 0.00 O ATOM 0 H ASP A 41 9.075 -22.966 -20.860 1.00 0.00 H new ATOM 0 HA ASP A 41 8.867 -24.251 -23.418 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.134 -22.175 -23.060 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.156 -22.958 -21.871 1.00 0.00 H new ATOM 294 N ALA A 42 10.416 -25.790 -20.960 1.00 0.00 N ATOM 295 CA ALA A 42 10.916 -27.084 -20.492 1.00 0.00 C ATOM 296 C ALA A 42 9.837 -28.172 -20.663 1.00 0.00 C ATOM 297 O ALA A 42 10.133 -29.283 -21.104 1.00 0.00 O ATOM 298 CB ALA A 42 11.378 -26.988 -19.031 1.00 0.00 C ATOM 0 H ALA A 42 10.339 -25.088 -20.224 1.00 0.00 H new ATOM 0 HA ALA A 42 11.777 -27.364 -21.098 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.746 -27.960 -18.701 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.177 -26.251 -18.950 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.540 -26.686 -18.403 1.00 0.00 H new ATOM 304 N ILE A 43 8.574 -27.816 -20.353 1.00 0.00 N ATOM 305 CA ILE A 43 7.416 -28.730 -20.491 1.00 0.00 C ATOM 306 C ILE A 43 7.002 -28.880 -21.983 1.00 0.00 C ATOM 307 O ILE A 43 6.455 -29.922 -22.393 1.00 0.00 O ATOM 308 CB ILE A 43 6.201 -28.248 -19.604 1.00 0.00 C ATOM 309 CG1 ILE A 43 6.642 -28.023 -18.116 1.00 0.00 C ATOM 310 CG2 ILE A 43 5.008 -29.229 -19.672 1.00 0.00 C ATOM 311 CD1 ILE A 43 7.260 -29.229 -17.419 1.00 0.00 C ATOM 0 H ILE A 43 8.326 -26.891 -20.001 1.00 0.00 H new ATOM 0 HA ILE A 43 7.718 -29.713 -20.129 1.00 0.00 H new ATOM 0 HB ILE A 43 5.867 -27.295 -20.015 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.361 -27.204 -18.090 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.772 -27.702 -17.543 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.196 -28.858 -19.047 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.664 -29.313 -20.703 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.322 -30.209 -19.314 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.527 -28.961 -16.397 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.541 -30.048 -17.403 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.154 -29.542 -17.958 1.00 0.00 H new ATOM 323 N ALA A 44 7.306 -27.844 -22.788 1.00 0.00 N ATOM 324 CA ALA A 44 7.053 -27.840 -24.244 1.00 0.00 C ATOM 325 C ALA A 44 7.894 -28.919 -24.955 1.00 0.00 C ATOM 326 O ALA A 44 7.395 -29.628 -25.834 1.00 0.00 O ATOM 327 CB ALA A 44 7.354 -26.452 -24.837 1.00 0.00 C ATOM 0 H ALA A 44 7.735 -26.984 -22.447 1.00 0.00 H new ATOM 0 HA ALA A 44 6.000 -28.070 -24.404 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.163 -26.466 -25.910 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.714 -25.708 -24.364 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.399 -26.199 -24.658 1.00 0.00 H new ATOM 333 N ARG A 45 9.184 -29.035 -24.566 1.00 0.00 N ATOM 334 CA ARG A 45 10.081 -30.080 -25.110 1.00 0.00 C ATOM 335 C ARG A 45 9.988 -31.402 -24.319 1.00 0.00 C ATOM 336 O ARG A 45 10.490 -32.434 -24.778 1.00 0.00 O ATOM 337 CB ARG A 45 11.545 -29.542 -25.218 1.00 0.00 C ATOM 338 CG ARG A 45 12.206 -28.968 -23.929 1.00 0.00 C ATOM 339 CD ARG A 45 12.738 -30.026 -22.939 1.00 0.00 C ATOM 340 NE ARG A 45 13.460 -29.397 -21.813 1.00 0.00 N ATOM 341 CZ ARG A 45 13.565 -29.894 -20.570 1.00 0.00 C ATOM 342 NH1 ARG A 45 12.971 -31.034 -20.221 1.00 0.00 N ATOM 343 NH2 ARG A 45 14.260 -29.221 -19.667 1.00 0.00 N ATOM 0 H ARG A 45 9.625 -28.421 -23.881 1.00 0.00 H new ATOM 0 HA ARG A 45 9.745 -30.320 -26.119 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.174 -30.354 -25.584 1.00 0.00 H new ATOM 0 HB3 ARG A 45 11.559 -28.761 -25.978 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.031 -28.319 -24.221 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.477 -28.344 -23.412 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.907 -30.618 -22.555 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.404 -30.713 -23.461 1.00 0.00 H new ATOM 0 HE ARG A 45 13.920 -28.505 -21.997 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.420 -31.552 -20.905 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.067 -31.389 -19.270 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.706 -28.339 -19.920 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.350 -29.584 -18.718 1.00 0.00 H new ATOM 357 N ALA A 46 9.346 -31.365 -23.135 1.00 0.00 N ATOM 358 CA ALA A 46 9.199 -32.555 -22.272 1.00 0.00 C ATOM 359 C ALA A 46 8.104 -33.486 -22.806 1.00 0.00 C ATOM 360 O ALA A 46 8.392 -34.592 -23.263 1.00 0.00 O ATOM 361 CB ALA A 46 8.910 -32.151 -20.822 1.00 0.00 C ATOM 0 H ALA A 46 8.919 -30.521 -22.753 1.00 0.00 H new ATOM 0 HA ALA A 46 10.144 -33.098 -22.288 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.806 -33.046 -20.209 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.732 -31.544 -20.443 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.986 -31.575 -20.782 1.00 0.00 H new ATOM 367 N ARG A 47 6.848 -33.008 -22.777 1.00 0.00 N ATOM 368 CA ARG A 47 5.666 -33.817 -23.163 1.00 0.00 C ATOM 369 C ARG A 47 4.936 -33.217 -24.379 1.00 0.00 C ATOM 370 O ARG A 47 4.007 -33.832 -24.910 1.00 0.00 O ATOM 371 CB ARG A 47 4.699 -33.951 -21.951 1.00 0.00 C ATOM 372 CG ARG A 47 4.097 -32.616 -21.453 1.00 0.00 C ATOM 373 CD ARG A 47 3.148 -32.793 -20.246 1.00 0.00 C ATOM 374 NE ARG A 47 2.050 -33.737 -20.551 1.00 0.00 N ATOM 375 CZ ARG A 47 0.766 -33.403 -20.789 1.00 0.00 C ATOM 376 NH1 ARG A 47 0.357 -32.140 -20.730 1.00 0.00 N ATOM 377 NH2 ARG A 47 -0.108 -34.355 -21.085 1.00 0.00 N ATOM 0 H ARG A 47 6.618 -32.057 -22.488 1.00 0.00 H new ATOM 0 HA ARG A 47 6.015 -34.808 -23.454 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.884 -34.621 -22.226 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.235 -34.422 -21.127 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.906 -31.940 -21.176 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.552 -32.143 -22.270 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.713 -33.156 -19.388 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.730 -31.826 -19.966 1.00 0.00 H new ATOM 0 HE ARG A 47 2.286 -34.729 -20.584 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.020 -31.399 -20.501 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.620 -31.911 -20.914 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.194 -35.328 -21.131 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.082 -34.114 -21.267 1.00 0.00 H new ATOM 391 N GLY A 48 5.372 -32.018 -24.813 1.00 0.00 N ATOM 392 CA GLY A 48 4.723 -31.308 -25.917 1.00 0.00 C ATOM 393 C GLY A 48 3.401 -30.670 -25.507 1.00 0.00 C ATOM 394 O GLY A 48 2.452 -30.638 -26.293 1.00 0.00 O ATOM 0 H GLY A 48 6.171 -31.527 -24.412 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.394 -30.535 -26.292 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.547 -32.003 -26.738 1.00 0.00 H new ATOM 398 N GLU A 49 3.348 -30.171 -24.262 1.00 0.00 N ATOM 399 CA GLU A 49 2.146 -29.526 -23.700 1.00 0.00 C ATOM 400 C GLU A 49 1.951 -28.132 -24.320 1.00 0.00 C ATOM 401 O GLU A 49 0.916 -27.849 -24.938 1.00 0.00 O ATOM 402 CB GLU A 49 2.283 -29.414 -22.164 1.00 0.00 C ATOM 403 CG GLU A 49 1.089 -28.757 -21.438 1.00 0.00 C ATOM 404 CD GLU A 49 1.287 -28.700 -19.915 1.00 0.00 C ATOM 405 OE1 GLU A 49 1.012 -29.712 -19.231 1.00 0.00 O ATOM 406 OE2 GLU A 49 1.736 -27.651 -19.394 1.00 0.00 O ATOM 0 H GLU A 49 4.136 -30.202 -23.615 1.00 0.00 H new ATOM 0 HA GLU A 49 1.273 -30.135 -23.935 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.429 -30.414 -21.756 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.183 -28.843 -21.937 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.946 -27.747 -21.821 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.180 -29.314 -21.663 1.00 0.00 H new ATOM 413 N ILE A 50 2.965 -27.268 -24.130 1.00 0.00 N ATOM 414 CA ILE A 50 2.974 -25.912 -24.675 1.00 0.00 C ATOM 415 C ILE A 50 3.341 -25.968 -26.179 1.00 0.00 C ATOM 416 O ILE A 50 4.371 -26.559 -26.540 1.00 0.00 O ATOM 417 CB ILE A 50 3.973 -24.984 -23.879 1.00 0.00 C ATOM 418 CG1 ILE A 50 3.545 -24.862 -22.375 1.00 0.00 C ATOM 419 CG2 ILE A 50 4.114 -23.584 -24.532 1.00 0.00 C ATOM 420 CD1 ILE A 50 2.157 -24.271 -22.147 1.00 0.00 C ATOM 0 H ILE A 50 3.800 -27.498 -23.592 1.00 0.00 H new ATOM 0 HA ILE A 50 1.980 -25.479 -24.567 1.00 0.00 H new ATOM 0 HB ILE A 50 4.954 -25.457 -23.920 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.581 -25.852 -21.921 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.277 -24.245 -21.853 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.811 -22.980 -23.951 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.490 -23.693 -25.549 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.141 -23.094 -24.555 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.951 -24.227 -21.077 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.116 -23.266 -22.566 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.410 -24.898 -22.634 1.00 0.00 H new ATOM 432 N PRO A 51 2.491 -25.383 -27.078 1.00 0.00 N ATOM 433 CA PRO A 51 2.783 -25.330 -28.528 1.00 0.00 C ATOM 434 C PRO A 51 3.867 -24.277 -28.860 1.00 0.00 C ATOM 435 O PRO A 51 4.243 -23.458 -28.007 1.00 0.00 O ATOM 436 CB PRO A 51 1.412 -24.957 -29.136 1.00 0.00 C ATOM 437 CG PRO A 51 0.757 -24.120 -28.078 1.00 0.00 C ATOM 438 CD PRO A 51 1.190 -24.727 -26.757 1.00 0.00 C ATOM 0 HA PRO A 51 3.187 -26.263 -28.920 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.527 -24.403 -30.068 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.822 -25.845 -29.363 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.069 -23.078 -28.152 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.328 -24.136 -28.181 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.305 -23.966 -25.985 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.459 -25.447 -26.388 1.00 0.00 H new ATOM 446 N ARG A 52 4.339 -24.295 -30.112 1.00 0.00 N ATOM 447 CA ARG A 52 5.407 -23.396 -30.601 1.00 0.00 C ATOM 448 C ARG A 52 4.766 -22.113 -31.174 1.00 0.00 C ATOM 449 O ARG A 52 5.060 -21.696 -32.301 1.00 0.00 O ATOM 450 CB ARG A 52 6.259 -24.151 -31.676 1.00 0.00 C ATOM 451 CG ARG A 52 6.701 -25.580 -31.256 1.00 0.00 C ATOM 452 CD ARG A 52 7.321 -26.389 -32.415 1.00 0.00 C ATOM 453 NE ARG A 52 7.407 -27.826 -32.092 1.00 0.00 N ATOM 454 CZ ARG A 52 8.413 -28.423 -31.446 1.00 0.00 C ATOM 455 NH1 ARG A 52 9.501 -27.747 -31.084 1.00 0.00 N ATOM 456 NH2 ARG A 52 8.331 -29.714 -31.178 1.00 0.00 N ATOM 0 H ARG A 52 3.992 -24.937 -30.825 1.00 0.00 H new ATOM 0 HA ARG A 52 6.071 -23.106 -29.787 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.681 -24.219 -32.598 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.147 -23.560 -31.899 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.425 -25.506 -30.445 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.839 -26.120 -30.865 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.721 -26.253 -33.315 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.317 -26.005 -32.635 1.00 0.00 H new ATOM 0 HE ARG A 52 6.630 -28.416 -32.388 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.579 -26.753 -31.299 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.257 -28.223 -30.592 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.507 -30.243 -31.464 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.092 -30.182 -30.686 1.00 0.00 H new ATOM 470 N GLY A 53 3.885 -21.491 -30.362 1.00 0.00 N ATOM 471 CA GLY A 53 3.031 -20.388 -30.820 1.00 0.00 C ATOM 472 C GLY A 53 1.987 -20.855 -31.844 1.00 0.00 C ATOM 473 O GLY A 53 1.477 -20.059 -32.643 1.00 0.00 O ATOM 0 H GLY A 53 3.751 -21.740 -29.382 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.525 -19.942 -29.964 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.651 -19.610 -31.264 1.00 0.00 H new ATOM 477 N GLU A 54 1.681 -22.173 -31.804 1.00 0.00 N ATOM 478 CA GLU A 54 0.794 -22.849 -32.764 1.00 0.00 C ATOM 479 C GLU A 54 -0.652 -22.871 -32.257 1.00 0.00 C ATOM 480 O GLU A 54 -0.912 -22.682 -31.061 1.00 0.00 O ATOM 481 CB GLU A 54 1.271 -24.308 -32.985 1.00 0.00 C ATOM 482 CG GLU A 54 2.704 -24.447 -33.515 1.00 0.00 C ATOM 483 CD GLU A 54 3.197 -25.899 -33.480 1.00 0.00 C ATOM 484 OE1 GLU A 54 3.630 -26.356 -32.395 1.00 0.00 O ATOM 485 OE2 GLU A 54 3.108 -26.605 -34.508 1.00 0.00 O ATOM 0 H GLU A 54 2.052 -22.801 -31.091 1.00 0.00 H new ATOM 0 HA GLU A 54 0.831 -22.296 -33.702 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.195 -24.846 -32.040 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.592 -24.795 -33.685 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.749 -24.075 -34.538 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.372 -23.824 -32.920 1.00 0.00 H new ATOM 492 N SER A 55 -1.571 -23.116 -33.188 1.00 0.00 N ATOM 493 CA SER A 55 -2.985 -23.320 -32.894 1.00 0.00 C ATOM 494 C SER A 55 -3.201 -24.739 -32.339 1.00 0.00 C ATOM 495 O SER A 55 -2.884 -25.727 -33.019 1.00 0.00 O ATOM 496 CB SER A 55 -3.781 -23.117 -34.184 1.00 0.00 C ATOM 497 OG SER A 55 -3.582 -21.807 -34.696 1.00 0.00 O ATOM 0 H SER A 55 -1.350 -23.179 -34.182 1.00 0.00 H new ATOM 0 HA SER A 55 -3.324 -22.607 -32.143 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.474 -23.854 -34.926 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.841 -23.281 -33.992 1.00 0.00 H new ATOM 0 HG SER A 55 -3.983 -21.740 -35.588 1.00 0.00 H new ATOM 503 N LEU A 56 -3.706 -24.818 -31.103 1.00 0.00 N ATOM 504 CA LEU A 56 -3.963 -26.102 -30.404 1.00 0.00 C ATOM 505 C LEU A 56 -5.284 -26.745 -30.878 1.00 0.00 C ATOM 506 O LEU A 56 -6.033 -26.138 -31.653 1.00 0.00 O ATOM 507 CB LEU A 56 -3.933 -25.867 -28.844 1.00 0.00 C ATOM 508 CG LEU A 56 -4.673 -24.586 -28.300 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.183 -24.617 -28.577 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.406 -24.337 -26.798 1.00 0.00 C ATOM 0 H LEU A 56 -3.952 -23.997 -30.550 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.175 -26.812 -30.654 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.369 -26.741 -28.361 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.891 -25.816 -28.529 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.248 -23.750 -28.855 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.644 -23.712 -28.182 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.355 -24.672 -29.652 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.624 -25.489 -28.094 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.940 -23.443 -26.477 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.753 -25.194 -26.220 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.337 -24.199 -26.636 1.00 0.00 H new ATOM 522 N ASP A 57 -5.560 -27.966 -30.391 1.00 0.00 N ATOM 523 CA ASP A 57 -6.799 -28.721 -30.710 1.00 0.00 C ATOM 524 C ASP A 57 -7.737 -28.820 -29.478 1.00 0.00 C ATOM 525 O ASP A 57 -8.813 -29.418 -29.551 1.00 0.00 O ATOM 526 CB ASP A 57 -6.442 -30.137 -31.233 1.00 0.00 C ATOM 527 CG ASP A 57 -5.790 -31.050 -30.175 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.723 -30.680 -29.638 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.335 -32.134 -29.873 1.00 0.00 O ATOM 0 H ASP A 57 -4.932 -28.466 -29.762 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.333 -28.177 -31.490 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.349 -30.616 -31.602 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.765 -30.040 -32.081 1.00 0.00 H new ATOM 534 N GLU A 58 -7.347 -28.151 -28.371 1.00 0.00 N ATOM 535 CA GLU A 58 -8.033 -28.243 -27.063 1.00 0.00 C ATOM 536 C GLU A 58 -8.144 -26.847 -26.423 1.00 0.00 C ATOM 537 O GLU A 58 -7.135 -26.242 -26.063 1.00 0.00 O ATOM 538 CB GLU A 58 -7.285 -29.199 -26.097 1.00 0.00 C ATOM 539 CG GLU A 58 -7.343 -30.684 -26.480 1.00 0.00 C ATOM 540 CD GLU A 58 -6.633 -31.565 -25.448 1.00 0.00 C ATOM 541 OE1 GLU A 58 -7.172 -31.725 -24.325 1.00 0.00 O ATOM 542 OE2 GLU A 58 -5.534 -32.088 -25.741 1.00 0.00 O ATOM 0 H GLU A 58 -6.540 -27.527 -28.360 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.030 -28.646 -27.239 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.240 -28.893 -26.044 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.703 -29.081 -25.097 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.384 -30.996 -26.570 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.882 -30.826 -27.458 1.00 0.00 H new ATOM 549 N CYS A 59 -9.380 -26.352 -26.324 1.00 0.00 N ATOM 550 CA CYS A 59 -9.732 -25.068 -25.665 1.00 0.00 C ATOM 551 C CYS A 59 -9.183 -24.980 -24.227 1.00 0.00 C ATOM 552 O CYS A 59 -9.384 -25.897 -23.451 1.00 0.00 O ATOM 553 CB CYS A 59 -11.259 -24.991 -25.642 1.00 0.00 C ATOM 554 SG CYS A 59 -11.978 -23.556 -24.814 1.00 0.00 S ATOM 0 H CYS A 59 -10.192 -26.837 -26.706 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.288 -24.239 -26.217 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.617 -25.007 -26.671 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.639 -25.891 -25.158 1.00 0.00 H new ATOM 559 N GLU A 60 -8.508 -23.867 -23.874 1.00 0.00 N ATOM 560 CA GLU A 60 -7.919 -23.702 -22.515 1.00 0.00 C ATOM 561 C GLU A 60 -8.982 -23.334 -21.450 1.00 0.00 C ATOM 562 O GLU A 60 -8.681 -23.323 -20.251 1.00 0.00 O ATOM 563 CB GLU A 60 -6.783 -22.644 -22.544 1.00 0.00 C ATOM 564 CG GLU A 60 -7.229 -21.218 -22.926 1.00 0.00 C ATOM 565 CD GLU A 60 -6.089 -20.184 -22.996 1.00 0.00 C ATOM 566 OE1 GLU A 60 -4.901 -20.571 -23.078 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.382 -18.972 -22.992 1.00 0.00 O ATOM 0 H GLU A 60 -8.354 -23.074 -24.497 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.502 -24.666 -22.225 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.313 -22.610 -21.561 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.020 -22.971 -23.251 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.728 -21.255 -23.895 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.967 -20.876 -22.200 1.00 0.00 H new ATOM 574 N GLU A 61 -10.219 -23.049 -21.896 1.00 0.00 N ATOM 575 CA GLU A 61 -11.331 -22.660 -21.005 1.00 0.00 C ATOM 576 C GLU A 61 -12.108 -23.906 -20.556 1.00 0.00 C ATOM 577 O GLU A 61 -12.333 -24.132 -19.362 1.00 0.00 O ATOM 578 CB GLU A 61 -12.287 -21.689 -21.745 1.00 0.00 C ATOM 579 CG GLU A 61 -11.616 -20.432 -22.311 1.00 0.00 C ATOM 580 CD GLU A 61 -11.105 -19.447 -21.252 1.00 0.00 C ATOM 581 OE1 GLU A 61 -9.985 -19.634 -20.729 1.00 0.00 O ATOM 582 OE2 GLU A 61 -11.815 -18.466 -20.945 1.00 0.00 O ATOM 0 H GLU A 61 -10.477 -23.081 -22.882 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.919 -22.161 -20.128 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.767 -22.227 -22.563 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.076 -21.384 -21.057 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.779 -20.735 -22.940 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.328 -19.915 -22.955 1.00 0.00 H new ATOM 589 N CYS A 62 -12.492 -24.733 -21.542 1.00 0.00 N ATOM 590 CA CYS A 62 -13.437 -25.851 -21.309 1.00 0.00 C ATOM 591 C CYS A 62 -13.010 -27.141 -22.036 1.00 0.00 C ATOM 592 O CYS A 62 -13.802 -28.080 -22.145 1.00 0.00 O ATOM 593 CB CYS A 62 -14.851 -25.400 -21.741 1.00 0.00 C ATOM 594 SG CYS A 62 -15.141 -25.339 -23.543 1.00 0.00 S ATOM 0 H CYS A 62 -12.168 -24.654 -22.506 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.437 -26.095 -20.247 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.581 -26.076 -21.296 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.040 -24.410 -21.327 1.00 0.00 H new ATOM 599 N GLY A 63 -11.742 -27.189 -22.499 1.00 0.00 N ATOM 600 CA GLY A 63 -11.158 -28.364 -23.191 1.00 0.00 C ATOM 601 C GLY A 63 -11.880 -28.814 -24.461 1.00 0.00 C ATOM 602 O GLY A 63 -11.562 -29.876 -25.002 1.00 0.00 O ATOM 0 H GLY A 63 -11.090 -26.411 -22.404 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.123 -28.135 -23.446 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.137 -29.200 -22.492 1.00 0.00 H new ATOM 606 N ALA A 64 -12.813 -27.984 -24.957 1.00 0.00 N ATOM 607 CA ALA A 64 -13.690 -28.324 -26.095 1.00 0.00 C ATOM 608 C ALA A 64 -12.874 -28.449 -27.402 1.00 0.00 C ATOM 609 O ALA A 64 -11.896 -27.688 -27.574 1.00 0.00 O ATOM 610 CB ALA A 64 -14.796 -27.272 -26.241 1.00 0.00 C ATOM 0 H ALA A 64 -12.983 -27.052 -24.579 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.154 -29.291 -25.898 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.437 -27.532 -27.083 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.391 -27.241 -25.328 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.347 -26.294 -26.415 1.00 0.00 H new ATOM 616 N PRO A 65 -13.265 -29.383 -28.339 1.00 0.00 N ATOM 617 CA PRO A 65 -12.512 -29.625 -29.589 1.00 0.00 C ATOM 618 C PRO A 65 -12.439 -28.356 -30.460 1.00 0.00 C ATOM 619 O PRO A 65 -13.464 -27.879 -30.962 1.00 0.00 O ATOM 620 CB PRO A 65 -13.307 -30.762 -30.304 1.00 0.00 C ATOM 621 CG PRO A 65 -14.154 -31.373 -29.228 1.00 0.00 C ATOM 622 CD PRO A 65 -14.478 -30.250 -28.272 1.00 0.00 C ATOM 0 HA PRO A 65 -11.475 -29.901 -29.399 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.921 -30.367 -31.114 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.635 -31.498 -30.744 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.063 -31.806 -29.645 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.621 -32.177 -28.720 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.376 -29.710 -28.574 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.653 -30.620 -27.262 1.00 0.00 H new ATOM 630 N ILE A 66 -11.227 -27.783 -30.550 1.00 0.00 N ATOM 631 CA ILE A 66 -10.945 -26.624 -31.402 1.00 0.00 C ATOM 632 C ILE A 66 -11.111 -27.035 -32.883 1.00 0.00 C ATOM 633 O ILE A 66 -10.375 -27.914 -33.351 1.00 0.00 O ATOM 634 CB ILE A 66 -9.482 -26.091 -31.154 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.282 -25.714 -29.655 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.143 -24.894 -32.083 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.706 -24.321 -29.281 1.00 0.00 C ATOM 0 H ILE A 66 -10.415 -28.115 -30.030 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.644 -25.824 -31.158 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.789 -26.896 -31.400 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.839 -26.423 -29.042 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.228 -25.835 -29.404 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.127 -24.554 -31.883 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.222 -25.207 -33.124 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.842 -24.079 -31.895 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.526 -24.159 -28.218 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.132 -23.598 -29.861 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.768 -24.195 -29.492 1.00 0.00 H new ATOM 649 N PRO A 67 -12.092 -26.435 -33.635 1.00 0.00 N ATOM 650 CA PRO A 67 -12.269 -26.742 -35.069 1.00 0.00 C ATOM 651 C PRO A 67 -11.039 -26.284 -35.876 1.00 0.00 C ATOM 652 O PRO A 67 -10.435 -25.243 -35.566 1.00 0.00 O ATOM 653 CB PRO A 67 -13.555 -25.964 -35.466 1.00 0.00 C ATOM 654 CG PRO A 67 -13.665 -24.872 -34.446 1.00 0.00 C ATOM 655 CD PRO A 67 -13.079 -25.429 -33.163 1.00 0.00 C ATOM 0 HA PRO A 67 -12.365 -27.809 -35.272 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.477 -25.558 -36.475 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.431 -26.612 -35.450 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.122 -23.983 -34.768 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.704 -24.577 -34.303 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.603 -24.649 -32.568 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.846 -25.884 -32.537 1.00 0.00 H new ATOM 663 N GLN A 68 -10.668 -27.071 -36.899 1.00 0.00 N ATOM 664 CA GLN A 68 -9.519 -26.769 -37.772 1.00 0.00 C ATOM 665 C GLN A 68 -9.735 -25.439 -38.532 1.00 0.00 C ATOM 666 O GLN A 68 -8.774 -24.847 -39.031 1.00 0.00 O ATOM 667 CB GLN A 68 -9.241 -27.965 -38.736 1.00 0.00 C ATOM 668 CG GLN A 68 -10.335 -28.228 -39.819 1.00 0.00 C ATOM 669 CD GLN A 68 -9.940 -27.826 -41.256 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.053 -26.851 -41.404 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.432 -28.402 -42.233 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.154 -27.933 -37.145 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.632 -26.636 -37.153 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.291 -27.788 -39.241 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.122 -28.869 -38.139 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.586 -29.289 -39.810 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.238 -27.685 -39.541 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.112 -29.149 -42.095 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.157 -28.130 -43.177 1.00 0.00 H new ATOM 680 N ALA A 69 -11.013 -24.992 -38.582 1.00 0.00 N ATOM 681 CA ALA A 69 -11.414 -23.684 -39.122 1.00 0.00 C ATOM 682 C ALA A 69 -10.812 -22.543 -38.281 1.00 0.00 C ATOM 683 O ALA A 69 -10.293 -21.575 -38.819 1.00 0.00 O ATOM 684 CB ALA A 69 -12.953 -23.583 -39.158 1.00 0.00 C ATOM 0 H ALA A 69 -11.801 -25.543 -38.242 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.032 -23.589 -40.139 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.245 -22.612 -39.559 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.355 -24.373 -39.792 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.349 -23.692 -38.148 1.00 0.00 H new ATOM 690 N ARG A 70 -10.884 -22.692 -36.943 1.00 0.00 N ATOM 691 CA ARG A 70 -10.292 -21.733 -35.982 1.00 0.00 C ATOM 692 C ARG A 70 -8.762 -21.831 -35.969 1.00 0.00 C ATOM 693 O ARG A 70 -8.073 -20.827 -35.762 1.00 0.00 O ATOM 694 CB ARG A 70 -10.866 -21.973 -34.555 1.00 0.00 C ATOM 695 CG ARG A 70 -12.311 -21.473 -34.385 1.00 0.00 C ATOM 696 CD ARG A 70 -12.391 -19.938 -34.349 1.00 0.00 C ATOM 697 NE ARG A 70 -13.767 -19.452 -34.535 1.00 0.00 N ATOM 698 CZ ARG A 70 -14.128 -18.165 -34.629 1.00 0.00 C ATOM 699 NH1 ARG A 70 -13.251 -17.181 -34.454 1.00 0.00 N ATOM 700 NH2 ARG A 70 -15.379 -17.878 -34.912 1.00 0.00 N ATOM 0 H ARG A 70 -11.354 -23.479 -36.496 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.559 -20.726 -36.303 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.830 -23.039 -34.332 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.228 -21.473 -33.826 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.923 -21.848 -35.205 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.729 -21.879 -33.464 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.005 -19.577 -33.395 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.752 -19.524 -35.129 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.507 -20.152 -34.598 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.277 -17.398 -34.243 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.552 -16.210 -34.531 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.055 -18.629 -35.056 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.674 -16.905 -34.988 1.00 0.00 H new ATOM 714 N ARG A 71 -8.242 -23.053 -36.190 1.00 0.00 N ATOM 715 CA ARG A 71 -6.792 -23.316 -36.172 1.00 0.00 C ATOM 716 C ARG A 71 -6.080 -22.646 -37.363 1.00 0.00 C ATOM 717 O ARG A 71 -4.928 -22.207 -37.237 1.00 0.00 O ATOM 718 CB ARG A 71 -6.497 -24.841 -36.140 1.00 0.00 C ATOM 719 CG ARG A 71 -7.102 -25.584 -34.926 1.00 0.00 C ATOM 720 CD ARG A 71 -6.667 -27.057 -34.820 1.00 0.00 C ATOM 721 NE ARG A 71 -5.222 -27.192 -34.528 1.00 0.00 N ATOM 722 CZ ARG A 71 -4.573 -28.355 -34.334 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.205 -29.517 -34.441 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.281 -28.347 -34.032 1.00 0.00 N ATOM 0 H ARG A 71 -8.809 -23.878 -36.384 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.395 -22.875 -35.257 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.881 -25.292 -37.055 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.417 -24.990 -36.140 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.814 -25.063 -34.013 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.189 -25.539 -34.989 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.242 -27.549 -34.036 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.897 -27.570 -35.754 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.674 -26.334 -34.469 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.198 -29.538 -34.674 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.698 -30.389 -34.291 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.782 -27.461 -33.947 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.786 -29.227 -33.884 1.00 0.00 H new ATOM 738 N GLU A 72 -6.774 -22.565 -38.516 1.00 0.00 N ATOM 739 CA GLU A 72 -6.220 -21.932 -39.730 1.00 0.00 C ATOM 740 C GLU A 72 -6.512 -20.417 -39.742 1.00 0.00 C ATOM 741 O GLU A 72 -5.669 -19.616 -40.175 1.00 0.00 O ATOM 742 CB GLU A 72 -6.766 -22.614 -41.017 1.00 0.00 C ATOM 743 CG GLU A 72 -8.287 -22.498 -41.231 1.00 0.00 C ATOM 744 CD GLU A 72 -8.757 -23.093 -42.564 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.772 -22.367 -43.575 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.095 -24.291 -42.608 1.00 0.00 O ATOM 0 H GLU A 72 -7.719 -22.930 -38.632 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.139 -22.068 -39.714 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.261 -22.181 -41.880 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.500 -23.671 -40.989 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.802 -23.003 -40.414 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.574 -21.447 -41.188 1.00 0.00 H new ATOM 753 N ALA A 73 -7.708 -20.037 -39.251 1.00 0.00 N ATOM 754 CA ALA A 73 -8.178 -18.635 -39.270 1.00 0.00 C ATOM 755 C ALA A 73 -7.413 -17.765 -38.261 1.00 0.00 C ATOM 756 O ALA A 73 -7.114 -16.591 -38.530 1.00 0.00 O ATOM 757 CB ALA A 73 -9.687 -18.573 -38.977 1.00 0.00 C ATOM 0 H ALA A 73 -8.373 -20.688 -38.832 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.987 -18.239 -40.267 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.019 -17.535 -38.994 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.228 -19.140 -39.735 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.885 -19.001 -37.994 1.00 0.00 H new ATOM 763 N ILE A 74 -7.115 -18.357 -37.092 1.00 0.00 N ATOM 764 CA ILE A 74 -6.453 -17.663 -35.975 1.00 0.00 C ATOM 765 C ILE A 74 -5.130 -18.393 -35.646 1.00 0.00 C ATOM 766 O ILE A 74 -5.169 -19.537 -35.175 1.00 0.00 O ATOM 767 CB ILE A 74 -7.375 -17.628 -34.698 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.796 -17.095 -35.068 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.729 -16.789 -33.558 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.783 -17.057 -33.923 1.00 0.00 C ATOM 0 H ILE A 74 -7.328 -19.335 -36.895 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.253 -16.633 -36.271 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.483 -18.646 -34.325 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.695 -16.089 -35.475 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.207 -17.720 -35.861 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.389 -16.784 -32.691 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.770 -17.228 -33.282 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.574 -15.766 -33.902 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.739 -16.673 -34.279 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.921 -18.063 -33.528 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.402 -16.407 -33.135 1.00 0.00 H new ATOM 782 N PRO A 75 -3.943 -17.762 -35.928 1.00 0.00 N ATOM 783 CA PRO A 75 -2.626 -18.332 -35.562 1.00 0.00 C ATOM 784 C PRO A 75 -2.410 -18.277 -34.035 1.00 0.00 C ATOM 785 O PRO A 75 -2.358 -17.189 -33.438 1.00 0.00 O ATOM 786 CB PRO A 75 -1.615 -17.441 -36.334 1.00 0.00 C ATOM 787 CG PRO A 75 -2.321 -16.128 -36.513 1.00 0.00 C ATOM 788 CD PRO A 75 -3.793 -16.463 -36.643 1.00 0.00 C ATOM 0 HA PRO A 75 -2.522 -19.385 -35.822 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.688 -17.319 -35.774 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.351 -17.883 -37.295 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.144 -15.470 -35.662 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.959 -15.607 -37.400 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.417 -15.689 -36.196 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.090 -16.548 -37.688 1.00 0.00 H new ATOM 796 N GLY A 76 -2.326 -19.462 -33.407 1.00 0.00 N ATOM 797 CA GLY A 76 -2.212 -19.569 -31.955 1.00 0.00 C ATOM 798 C GLY A 76 -3.558 -19.393 -31.260 1.00 0.00 C ATOM 799 O GLY A 76 -3.647 -18.726 -30.216 1.00 0.00 O ATOM 0 H GLY A 76 -2.336 -20.360 -33.891 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.795 -20.542 -31.695 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.515 -18.815 -31.590 1.00 0.00 H new ATOM 803 N VAL A 77 -4.624 -19.983 -31.854 1.00 0.00 N ATOM 804 CA VAL A 77 -5.961 -19.999 -31.233 1.00 0.00 C ATOM 805 C VAL A 77 -5.925 -20.863 -29.965 1.00 0.00 C ATOM 806 O VAL A 77 -5.287 -21.918 -29.955 1.00 0.00 O ATOM 807 CB VAL A 77 -7.097 -20.498 -32.211 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.863 -21.948 -32.680 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.499 -20.345 -31.567 1.00 0.00 C ATOM 0 H VAL A 77 -4.579 -20.451 -32.759 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.212 -18.969 -30.979 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.056 -19.861 -33.095 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.669 -22.248 -33.350 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.911 -22.011 -33.206 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.844 -22.612 -31.815 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.260 -20.697 -32.264 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.545 -20.935 -30.651 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.679 -19.296 -31.332 1.00 0.00 H new ATOM 819 N ARG A 78 -6.566 -20.379 -28.889 1.00 0.00 N ATOM 820 CA ARG A 78 -6.635 -21.081 -27.590 1.00 0.00 C ATOM 821 C ARG A 78 -8.081 -21.175 -27.061 1.00 0.00 C ATOM 822 O ARG A 78 -8.326 -21.652 -25.951 1.00 0.00 O ATOM 823 CB ARG A 78 -5.635 -20.434 -26.575 1.00 0.00 C ATOM 824 CG ARG A 78 -5.415 -18.894 -26.673 1.00 0.00 C ATOM 825 CD ARG A 78 -6.651 -18.069 -26.295 1.00 0.00 C ATOM 826 NE ARG A 78 -6.403 -16.613 -26.357 1.00 0.00 N ATOM 827 CZ ARG A 78 -6.302 -15.786 -25.300 1.00 0.00 C ATOM 828 NH1 ARG A 78 -6.340 -16.246 -24.046 1.00 0.00 N ATOM 829 NH2 ARG A 78 -6.141 -14.490 -25.507 1.00 0.00 N ATOM 0 H ARG A 78 -7.055 -19.484 -28.892 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.320 -22.115 -27.731 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.982 -20.662 -25.567 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.668 -20.922 -26.697 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.588 -18.612 -26.022 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.119 -18.642 -27.691 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.472 -18.323 -26.966 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.968 -18.337 -25.287 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.299 -16.198 -27.283 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.448 -17.245 -23.872 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.261 -15.598 -23.262 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.095 -14.128 -26.459 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.063 -13.853 -24.714 1.00 0.00 H new ATOM 843 N LEU A 79 -9.046 -20.772 -27.905 1.00 0.00 N ATOM 844 CA LEU A 79 -10.480 -20.731 -27.552 1.00 0.00 C ATOM 845 C LEU A 79 -11.304 -21.473 -28.611 1.00 0.00 C ATOM 846 O LEU A 79 -11.166 -21.193 -29.805 1.00 0.00 O ATOM 847 CB LEU A 79 -10.964 -19.262 -27.454 1.00 0.00 C ATOM 848 CG LEU A 79 -10.201 -18.369 -26.440 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.482 -16.871 -26.666 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.519 -18.784 -24.999 1.00 0.00 C ATOM 0 H LEU A 79 -8.854 -20.463 -28.858 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.615 -21.217 -26.586 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.887 -18.807 -28.441 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.020 -19.264 -27.186 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.135 -18.521 -26.609 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.928 -16.283 -25.935 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.168 -16.590 -27.671 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.549 -16.680 -26.552 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.972 -18.143 -24.307 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.589 -18.683 -24.819 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.222 -19.821 -24.845 1.00 0.00 H new ATOM 862 N CYS A 80 -12.145 -22.438 -28.172 1.00 0.00 N ATOM 863 CA CYS A 80 -13.075 -23.155 -29.076 1.00 0.00 C ATOM 864 C CYS A 80 -14.126 -22.167 -29.570 1.00 0.00 C ATOM 865 O CYS A 80 -14.375 -21.191 -28.874 1.00 0.00 O ATOM 866 CB CYS A 80 -13.746 -24.338 -28.349 1.00 0.00 C ATOM 867 SG CYS A 80 -14.997 -23.850 -27.118 1.00 0.00 S ATOM 0 H CYS A 80 -12.199 -22.738 -27.199 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.520 -23.562 -29.921 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.215 -24.985 -29.090 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.976 -24.928 -27.853 1.00 0.00 H new ATOM 872 N ILE A 81 -14.770 -22.443 -30.718 1.00 0.00 N ATOM 873 CA ILE A 81 -15.652 -21.472 -31.432 1.00 0.00 C ATOM 874 C ILE A 81 -16.734 -20.837 -30.501 1.00 0.00 C ATOM 875 O ILE A 81 -17.136 -19.690 -30.703 1.00 0.00 O ATOM 876 CB ILE A 81 -16.329 -22.167 -32.681 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.221 -21.157 -33.483 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.115 -23.436 -32.264 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.975 -21.757 -34.662 1.00 0.00 C ATOM 0 H ILE A 81 -14.700 -23.346 -31.187 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.017 -20.654 -31.772 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.534 -22.492 -33.352 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.943 -20.711 -32.799 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.588 -20.349 -33.850 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.568 -23.890 -33.146 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.435 -24.149 -31.798 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.896 -23.163 -31.554 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.562 -20.980 -35.152 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.264 -22.177 -35.373 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.640 -22.544 -34.306 1.00 0.00 H new ATOM 891 N HIS A 82 -17.111 -21.579 -29.443 1.00 0.00 N ATOM 892 CA HIS A 82 -18.109 -21.147 -28.433 1.00 0.00 C ATOM 893 C HIS A 82 -17.508 -20.061 -27.502 1.00 0.00 C ATOM 894 O HIS A 82 -18.103 -18.998 -27.301 1.00 0.00 O ATOM 895 CB HIS A 82 -18.601 -22.371 -27.603 1.00 0.00 C ATOM 896 CG HIS A 82 -18.875 -23.603 -28.419 1.00 0.00 C ATOM 897 ND1 HIS A 82 -18.062 -24.629 -28.757 1.00 0.00 N flip ATOM 898 CD2 HIS A 82 -20.083 -23.867 -29.013 1.00 0.00 C flip ATOM 899 CE1 HIS A 82 -18.784 -25.479 -29.547 1.00 0.00 C flip ATOM 900 NE2 HIS A 82 -19.997 -24.993 -29.693 1.00 0.00 N flip ATOM 0 H HIS A 82 -16.730 -22.507 -29.259 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.964 -20.714 -28.952 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.851 -22.609 -26.849 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.511 -22.092 -27.071 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -17.089 -24.747 -28.474 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -20.966 -23.249 -28.936 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -18.418 -26.398 -29.980 1.00 0.00 H new ATOM 909 N CYS A 83 -16.303 -20.344 -26.948 1.00 0.00 N ATOM 910 CA CYS A 83 -15.556 -19.388 -26.094 1.00 0.00 C ATOM 911 C CYS A 83 -14.870 -18.303 -26.955 1.00 0.00 C ATOM 912 O CYS A 83 -14.458 -17.275 -26.435 1.00 0.00 O ATOM 913 CB CYS A 83 -14.474 -20.101 -25.243 1.00 0.00 C ATOM 914 SG CYS A 83 -15.071 -21.453 -24.189 1.00 0.00 S ATOM 0 H CYS A 83 -15.825 -21.235 -27.080 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.285 -18.928 -25.427 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.712 -20.497 -25.914 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.987 -19.359 -24.610 1.00 0.00 H new ATOM 919 N GLN A 84 -14.710 -18.556 -28.269 1.00 0.00 N ATOM 920 CA GLN A 84 -13.977 -17.643 -29.164 1.00 0.00 C ATOM 921 C GLN A 84 -14.903 -16.510 -29.617 1.00 0.00 C ATOM 922 O GLN A 84 -14.510 -15.362 -29.558 1.00 0.00 O ATOM 923 CB GLN A 84 -13.366 -18.404 -30.395 1.00 0.00 C ATOM 924 CG GLN A 84 -11.978 -17.896 -30.871 1.00 0.00 C ATOM 925 CD GLN A 84 -11.881 -16.374 -31.038 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.223 -15.832 -32.081 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.407 -15.681 -30.004 1.00 0.00 N ATOM 0 H GLN A 84 -15.079 -19.386 -28.733 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.141 -17.216 -28.610 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.280 -19.460 -30.141 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.065 -18.333 -31.228 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.222 -18.219 -30.156 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.739 -18.369 -31.823 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.131 -16.165 -29.149 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.320 -14.667 -30.067 1.00 0.00 H new ATOM 936 N GLN A 85 -16.131 -16.856 -30.045 1.00 0.00 N ATOM 937 CA GLN A 85 -17.092 -15.893 -30.637 1.00 0.00 C ATOM 938 C GLN A 85 -17.377 -14.699 -29.690 1.00 0.00 C ATOM 939 O GLN A 85 -17.465 -13.551 -30.136 1.00 0.00 O ATOM 940 CB GLN A 85 -18.420 -16.604 -31.032 1.00 0.00 C ATOM 941 CG GLN A 85 -19.154 -17.314 -29.880 1.00 0.00 C ATOM 942 CD GLN A 85 -20.411 -18.057 -30.325 1.00 0.00 C ATOM 943 OE1 GLN A 85 -21.508 -17.511 -30.318 1.00 0.00 O ATOM 944 NE2 GLN A 85 -20.251 -19.300 -30.757 1.00 0.00 N ATOM 0 H GLN A 85 -16.490 -17.809 -29.992 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.628 -15.493 -31.539 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -19.092 -15.865 -31.469 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -18.203 -17.337 -31.809 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.472 -18.021 -29.406 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.426 -16.577 -29.124 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -19.325 -19.727 -30.750 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -21.054 -19.829 -31.096 1.00 0.00 H new ATOM 953 N GLU A 86 -17.491 -14.996 -28.380 1.00 0.00 N ATOM 954 CA GLU A 86 -17.701 -13.978 -27.323 1.00 0.00 C ATOM 955 C GLU A 86 -16.441 -13.091 -27.154 1.00 0.00 C ATOM 956 O GLU A 86 -16.546 -11.861 -27.156 1.00 0.00 O ATOM 957 CB GLU A 86 -18.095 -14.668 -25.980 1.00 0.00 C ATOM 958 CG GLU A 86 -17.114 -15.762 -25.528 1.00 0.00 C ATOM 959 CD GLU A 86 -17.499 -16.434 -24.210 1.00 0.00 C ATOM 960 OE1 GLU A 86 -18.391 -17.312 -24.218 1.00 0.00 O ATOM 961 OE2 GLU A 86 -16.905 -16.102 -23.155 1.00 0.00 O ATOM 0 H GLU A 86 -17.440 -15.949 -28.021 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.522 -13.327 -27.623 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.162 -13.910 -25.200 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -19.088 -15.106 -26.086 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.049 -16.522 -26.307 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.121 -15.325 -25.425 1.00 0.00 H new ATOM 968 N LYS A 87 -15.251 -13.731 -27.081 1.00 0.00 N ATOM 969 CA LYS A 87 -13.967 -13.044 -26.824 1.00 0.00 C ATOM 970 C LYS A 87 -13.472 -12.270 -28.060 1.00 0.00 C ATOM 971 O LYS A 87 -12.687 -11.330 -27.931 1.00 0.00 O ATOM 972 CB LYS A 87 -12.900 -14.056 -26.336 1.00 0.00 C ATOM 973 CG LYS A 87 -13.240 -14.736 -24.989 1.00 0.00 C ATOM 974 CD LYS A 87 -13.415 -13.723 -23.834 1.00 0.00 C ATOM 975 CE LYS A 87 -13.756 -14.394 -22.488 1.00 0.00 C ATOM 976 NZ LYS A 87 -12.717 -15.376 -22.061 1.00 0.00 N ATOM 0 H LYS A 87 -15.156 -14.740 -27.199 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.136 -12.311 -26.035 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.771 -14.826 -27.097 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.944 -13.541 -26.239 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.157 -15.315 -25.101 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.448 -15.440 -24.732 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.497 -13.145 -23.723 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.206 -13.019 -24.093 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.864 -13.628 -21.721 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.718 -14.900 -22.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.930 -15.711 -21.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.713 -16.184 -22.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.783 -14.919 -22.069 1.00 0.00 H new ATOM 990 N ASP A 88 -13.945 -12.693 -29.245 1.00 0.00 N ATOM 991 CA ASP A 88 -13.633 -12.052 -30.531 1.00 0.00 C ATOM 992 C ASP A 88 -14.147 -10.607 -30.558 1.00 0.00 C ATOM 993 O ASP A 88 -13.557 -9.735 -31.200 1.00 0.00 O ATOM 994 CB ASP A 88 -14.222 -12.865 -31.716 1.00 0.00 C ATOM 995 CG ASP A 88 -13.807 -12.312 -33.095 1.00 0.00 C ATOM 996 OD1 ASP A 88 -12.600 -12.351 -33.425 1.00 0.00 O ATOM 997 OD2 ASP A 88 -14.677 -11.840 -33.857 1.00 0.00 O ATOM 0 H ASP A 88 -14.562 -13.500 -29.336 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.549 -12.032 -30.641 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.897 -13.902 -31.634 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.310 -12.865 -31.644 1.00 0.00 H new ATOM 1002 N LEU A 89 -15.231 -10.369 -29.823 1.00 0.00 N ATOM 1003 CA LEU A 89 -15.840 -9.045 -29.669 1.00 0.00 C ATOM 1004 C LEU A 89 -15.049 -8.215 -28.632 1.00 0.00 C ATOM 1005 O LEU A 89 -15.002 -6.983 -28.695 1.00 0.00 O ATOM 1006 CB LEU A 89 -17.313 -9.234 -29.204 1.00 0.00 C ATOM 1007 CG LEU A 89 -18.118 -10.326 -29.980 1.00 0.00 C ATOM 1008 CD1 LEU A 89 -19.516 -10.556 -29.372 1.00 0.00 C ATOM 1009 CD2 LEU A 89 -18.189 -10.005 -31.495 1.00 0.00 C ATOM 0 H LEU A 89 -15.721 -11.101 -29.308 1.00 0.00 H new ATOM 0 HA LEU A 89 -15.819 -8.509 -30.618 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -17.313 -9.489 -28.144 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -17.834 -8.282 -29.303 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.575 -11.265 -29.873 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -20.039 -11.323 -29.943 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -19.413 -10.881 -28.337 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -20.085 -9.627 -29.406 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -18.755 -10.784 -32.006 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -18.681 -9.043 -31.641 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -17.180 -9.962 -31.905 1.00 0.00 H new ATOM 1021 N GLN A 90 -14.418 -8.927 -27.676 1.00 0.00 N ATOM 1022 CA GLN A 90 -13.758 -8.319 -26.494 1.00 0.00 C ATOM 1023 C GLN A 90 -12.269 -8.017 -26.773 1.00 0.00 C ATOM 1024 O GLN A 90 -11.580 -7.452 -25.907 1.00 0.00 O ATOM 1025 CB GLN A 90 -13.932 -9.258 -25.259 1.00 0.00 C ATOM 1026 CG GLN A 90 -15.353 -9.838 -25.119 1.00 0.00 C ATOM 1027 CD GLN A 90 -16.477 -8.795 -25.097 1.00 0.00 C ATOM 1028 OE1 GLN A 90 -16.328 -7.688 -24.572 1.00 0.00 O ATOM 1029 NE2 GLN A 90 -17.601 -9.131 -25.718 1.00 0.00 N ATOM 0 H GLN A 90 -14.350 -9.944 -27.699 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.236 -7.364 -26.276 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -13.219 -10.079 -25.335 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.684 -8.703 -24.354 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -15.532 -10.526 -25.945 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -15.402 -10.423 -24.201 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -17.693 -10.054 -26.142 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -18.373 -8.466 -25.771 1.00 0.00 H new ATOM 1038 N LYS A 91 -11.798 -8.399 -27.976 1.00 0.00 N ATOM 1039 CA LYS A 91 -10.471 -8.009 -28.491 1.00 0.00 C ATOM 1040 C LYS A 91 -10.419 -6.470 -28.651 1.00 0.00 C ATOM 1041 O LYS A 91 -11.244 -5.918 -29.396 1.00 0.00 O ATOM 1042 CB LYS A 91 -10.209 -8.714 -29.862 1.00 0.00 C ATOM 1043 CG LYS A 91 -10.052 -10.254 -29.763 1.00 0.00 C ATOM 1044 CD LYS A 91 -10.367 -10.993 -31.086 1.00 0.00 C ATOM 1045 CE LYS A 91 -9.512 -10.565 -32.274 1.00 0.00 C ATOM 1046 NZ LYS A 91 -9.980 -11.194 -33.541 1.00 0.00 N ATOM 0 H LYS A 91 -12.328 -8.988 -28.619 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.696 -8.319 -27.790 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.033 -8.486 -30.539 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.306 -8.295 -30.307 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.032 -10.488 -29.459 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.712 -10.629 -28.981 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.236 -12.064 -30.928 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.416 -10.833 -31.335 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.542 -9.480 -32.373 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.473 -10.840 -32.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.008 -10.478 -34.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.327 -11.956 -33.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.933 -11.588 -33.402 1.00 0.00 H new ATOM 1060 N PRO A 92 -9.502 -5.746 -27.917 1.00 0.00 N ATOM 1061 CA PRO A 92 -9.413 -4.266 -27.992 1.00 0.00 C ATOM 1062 C PRO A 92 -9.073 -3.762 -29.417 1.00 0.00 C ATOM 1063 O PRO A 92 -9.579 -2.718 -29.855 1.00 0.00 O ATOM 1064 CB PRO A 92 -8.292 -3.910 -26.966 1.00 0.00 C ATOM 1065 CG PRO A 92 -7.512 -5.180 -26.788 1.00 0.00 C ATOM 1066 CD PRO A 92 -8.517 -6.299 -26.939 1.00 0.00 C ATOM 0 HA PRO A 92 -10.364 -3.785 -27.762 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.657 -3.106 -27.338 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.715 -3.571 -26.021 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.720 -5.261 -27.533 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.034 -5.212 -25.809 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.050 -7.211 -27.310 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.989 -6.547 -25.988 1.00 0.00 H new ATOM 1074 N ALA A 93 -8.206 -4.537 -30.111 1.00 0.00 N ATOM 1075 CA ALA A 93 -7.722 -4.254 -31.483 1.00 0.00 C ATOM 1076 C ALA A 93 -6.830 -2.995 -31.552 1.00 0.00 C ATOM 1077 O ALA A 93 -6.555 -2.482 -32.647 1.00 0.00 O ATOM 1078 CB ALA A 93 -8.897 -4.193 -32.490 1.00 0.00 C ATOM 0 H ALA A 93 -7.815 -5.396 -29.724 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.084 -5.088 -31.773 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.511 -3.984 -33.488 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.421 -5.149 -32.497 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.588 -3.403 -32.196 1.00 0.00 H new ATOM 1084 N TYR A 94 -6.361 -2.519 -30.382 1.00 0.00 N ATOM 1085 CA TYR A 94 -5.425 -1.383 -30.285 1.00 0.00 C ATOM 1086 C TYR A 94 -4.410 -1.649 -29.158 1.00 0.00 C ATOM 1087 O TYR A 94 -4.602 -2.546 -28.325 1.00 0.00 O ATOM 1088 CB TYR A 94 -6.177 -0.032 -30.059 1.00 0.00 C ATOM 1089 CG TYR A 94 -6.818 0.147 -28.661 1.00 0.00 C ATOM 1090 CD1 TYR A 94 -8.092 -0.340 -28.376 1.00 0.00 C ATOM 1091 CD2 TYR A 94 -6.132 0.800 -27.625 1.00 0.00 C ATOM 1092 CE1 TYR A 94 -8.661 -0.180 -27.123 1.00 0.00 C ATOM 1093 CE2 TYR A 94 -6.695 0.956 -26.374 1.00 0.00 C ATOM 1094 CZ TYR A 94 -7.957 0.463 -26.127 1.00 0.00 C ATOM 1095 OH TYR A 94 -8.520 0.629 -24.880 1.00 0.00 O ATOM 0 H TYR A 94 -6.621 -2.912 -29.477 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.892 -1.292 -31.231 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.476 0.786 -30.226 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.959 0.059 -30.813 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.647 -0.853 -29.148 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.142 1.189 -27.811 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.654 -0.558 -26.927 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.148 1.462 -25.592 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.890 1.101 -24.297 1.00 0.00 H new ATOM 1105 N THR A 95 -3.345 -0.835 -29.133 1.00 0.00 N ATOM 1106 CA THR A 95 -2.286 -0.903 -28.121 1.00 0.00 C ATOM 1107 C THR A 95 -2.178 0.449 -27.386 1.00 0.00 C ATOM 1108 O THR A 95 -1.440 1.356 -27.807 1.00 0.00 O ATOM 1109 CB THR A 95 -0.918 -1.314 -28.778 1.00 0.00 C ATOM 1110 OG1 THR A 95 -0.715 -0.564 -29.990 1.00 0.00 O ATOM 1111 CG2 THR A 95 -0.848 -2.821 -29.095 1.00 0.00 C ATOM 0 H THR A 95 -3.195 -0.101 -29.826 1.00 0.00 H new ATOM 0 HA THR A 95 -2.539 -1.670 -27.389 1.00 0.00 H new ATOM 0 HB THR A 95 -0.133 -1.090 -28.055 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.863 0.389 -29.814 1.00 0.00 H new ATOM 0 HG21 THR A 95 0.116 -3.053 -29.547 1.00 0.00 H new ATOM 0 HG22 THR A 95 -0.964 -3.392 -28.174 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.647 -3.084 -29.788 1.00 0.00 H new ATOM 1119 N GLY A 96 -2.963 0.577 -26.298 1.00 0.00 N ATOM 1120 CA GLY A 96 -3.018 1.799 -25.492 1.00 0.00 C ATOM 1121 C GLY A 96 -2.665 1.547 -24.034 1.00 0.00 C ATOM 1122 O GLY A 96 -3.436 1.892 -23.125 1.00 0.00 O ATOM 0 H GLY A 96 -3.574 -0.166 -25.959 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.331 2.536 -25.907 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.019 2.226 -25.552 1.00 0.00 H new ATOM 1126 N TYR A 97 -1.482 0.943 -23.813 1.00 0.00 N ATOM 1127 CA TYR A 97 -0.948 0.650 -22.463 1.00 0.00 C ATOM 1128 C TYR A 97 0.444 1.274 -22.286 1.00 0.00 C ATOM 1129 O TYR A 97 1.068 1.706 -23.258 1.00 0.00 O ATOM 1130 CB TYR A 97 -0.885 -0.875 -22.179 1.00 0.00 C ATOM 1131 CG TYR A 97 -0.204 -1.687 -23.279 1.00 0.00 C ATOM 1132 CD1 TYR A 97 -0.928 -2.055 -24.392 1.00 0.00 C ATOM 1133 CD2 TYR A 97 1.136 -2.078 -23.205 1.00 0.00 C ATOM 1134 CE1 TYR A 97 -0.361 -2.792 -25.404 1.00 0.00 C ATOM 1135 CE2 TYR A 97 1.713 -2.822 -24.215 1.00 0.00 C ATOM 1136 CZ TYR A 97 0.962 -3.176 -25.314 1.00 0.00 C ATOM 1137 OH TYR A 97 1.535 -3.921 -26.322 1.00 0.00 O ATOM 0 H TYR A 97 -0.865 0.642 -24.567 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.636 1.094 -21.743 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.354 -1.037 -21.241 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.899 -1.250 -22.040 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.963 -1.758 -24.471 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.727 -1.795 -22.347 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.948 -3.070 -26.267 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.747 -3.125 -24.144 1.00 0.00 H new ATOM 0 HH TYR A 97 2.472 -4.105 -26.101 1.00 0.00 H new ATOM 1147 N ASN A 98 0.925 1.303 -21.035 1.00 0.00 N ATOM 1148 CA ASN A 98 2.282 1.753 -20.704 1.00 0.00 C ATOM 1149 C ASN A 98 3.299 0.701 -21.180 1.00 0.00 C ATOM 1150 O ASN A 98 3.477 -0.346 -20.541 1.00 0.00 O ATOM 1151 CB ASN A 98 2.408 1.988 -19.175 1.00 0.00 C ATOM 1152 CG ASN A 98 1.449 3.065 -18.660 1.00 0.00 C ATOM 1153 OD1 ASN A 98 1.778 4.248 -18.630 1.00 0.00 O ATOM 1154 ND2 ASN A 98 0.248 2.660 -18.251 1.00 0.00 N ATOM 0 H ASN A 98 0.381 1.014 -20.222 1.00 0.00 H new ATOM 0 HA ASN A 98 2.487 2.696 -21.210 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.212 1.053 -18.651 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.432 2.277 -18.939 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.427 3.339 -17.901 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.004 1.670 -18.288 1.00 0.00 H new ATOM 1161 N ARG A 99 3.892 0.957 -22.354 1.00 0.00 N ATOM 1162 CA ARG A 99 4.902 0.073 -22.954 1.00 0.00 C ATOM 1163 C ARG A 99 6.254 0.241 -22.228 1.00 0.00 C ATOM 1164 O ARG A 99 6.931 1.270 -22.385 1.00 0.00 O ATOM 1165 CB ARG A 99 5.029 0.371 -24.475 1.00 0.00 C ATOM 1166 CG ARG A 99 3.721 0.128 -25.269 1.00 0.00 C ATOM 1167 CD ARG A 99 3.801 0.612 -26.726 1.00 0.00 C ATOM 1168 NE ARG A 99 4.832 -0.105 -27.508 1.00 0.00 N ATOM 1169 CZ ARG A 99 5.687 0.461 -28.382 1.00 0.00 C ATOM 1170 NH1 ARG A 99 5.731 1.774 -28.547 1.00 0.00 N ATOM 1171 NH2 ARG A 99 6.508 -0.298 -29.074 1.00 0.00 N ATOM 0 H ARG A 99 3.685 1.783 -22.915 1.00 0.00 H new ATOM 0 HA ARG A 99 4.591 -0.965 -22.839 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.337 1.408 -24.608 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.819 -0.253 -24.894 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.489 -0.937 -25.258 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.899 0.638 -24.768 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.830 0.478 -27.203 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.018 1.680 -26.739 1.00 0.00 H new ATOM 0 HE ARG A 99 4.901 -1.114 -27.374 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.110 2.377 -28.007 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.386 2.183 -29.214 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.496 -1.310 -28.948 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.157 0.125 -29.737 1.00 0.00 H new ATOM 1185 N ARG A 100 6.603 -0.770 -21.403 1.00 0.00 N ATOM 1186 CA ARG A 100 7.862 -0.801 -20.629 1.00 0.00 C ATOM 1187 C ARG A 100 9.079 -0.879 -21.567 1.00 0.00 C ATOM 1188 O ARG A 100 8.983 -1.394 -22.693 1.00 0.00 O ATOM 1189 CB ARG A 100 7.855 -1.989 -19.627 1.00 0.00 C ATOM 1190 CG ARG A 100 7.803 -3.395 -20.286 1.00 0.00 C ATOM 1191 CD ARG A 100 7.642 -4.533 -19.263 1.00 0.00 C ATOM 1192 NE ARG A 100 8.772 -4.605 -18.312 1.00 0.00 N ATOM 1193 CZ ARG A 100 8.744 -5.235 -17.127 1.00 0.00 C ATOM 1194 NH1 ARG A 100 7.633 -5.821 -16.694 1.00 0.00 N ATOM 1195 NH2 ARG A 100 9.832 -5.260 -16.372 1.00 0.00 N ATOM 0 H ARG A 100 6.016 -1.591 -21.255 1.00 0.00 H new ATOM 0 HA ARG A 100 7.938 0.125 -20.059 1.00 0.00 H new ATOM 0 HB2 ARG A 100 8.748 -1.927 -19.005 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.997 -1.882 -18.964 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.973 -3.429 -20.992 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.716 -3.556 -20.859 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.714 -4.390 -18.709 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.555 -5.482 -19.791 1.00 0.00 H new ATOM 0 HE ARG A 100 9.640 -4.140 -18.577 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.788 -5.796 -17.264 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.626 -6.296 -15.792 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.685 -4.802 -16.692 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.816 -5.737 -15.471 1.00 0.00 H new ATOM 1209 N GLY A 101 10.220 -0.380 -21.086 1.00 0.00 N ATOM 1210 CA GLY A 101 11.397 -0.190 -21.922 1.00 0.00 C ATOM 1211 C GLY A 101 11.387 1.201 -22.525 1.00 0.00 C ATOM 1212 O GLY A 101 11.411 2.183 -21.775 1.00 0.00 O ATOM 0 H GLY A 101 10.349 -0.100 -20.114 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.301 -0.332 -21.329 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.415 -0.938 -22.714 1.00 0.00 H new ATOM 1216 N SER A 102 11.304 1.288 -23.872 1.00 0.00 N ATOM 1217 CA SER A 102 11.304 2.573 -24.619 1.00 0.00 C ATOM 1218 C SER A 102 12.589 3.389 -24.316 1.00 0.00 C ATOM 1219 O SER A 102 12.582 4.623 -24.309 1.00 0.00 O ATOM 1220 CB SER A 102 10.010 3.378 -24.294 1.00 0.00 C ATOM 1221 OG SER A 102 8.843 2.593 -24.532 1.00 0.00 O ATOM 0 H SER A 102 11.235 0.469 -24.476 1.00 0.00 H new ATOM 0 HA SER A 102 11.307 2.363 -25.689 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.030 3.699 -23.253 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.976 4.280 -24.905 1.00 0.00 H new ATOM 0 HG SER A 102 8.464 2.303 -23.676 1.00 0.00 H new ATOM 1227 N LYS A 103 13.698 2.657 -24.131 1.00 0.00 N ATOM 1228 CA LYS A 103 14.977 3.202 -23.650 1.00 0.00 C ATOM 1229 C LYS A 103 15.753 3.912 -24.779 1.00 0.00 C ATOM 1230 O LYS A 103 15.824 3.412 -25.909 1.00 0.00 O ATOM 1231 CB LYS A 103 15.845 2.059 -23.049 1.00 0.00 C ATOM 1232 CG LYS A 103 17.237 2.512 -22.548 1.00 0.00 C ATOM 1233 CD LYS A 103 18.090 1.350 -22.002 1.00 0.00 C ATOM 1234 CE LYS A 103 19.486 1.812 -21.552 1.00 0.00 C ATOM 1235 NZ LYS A 103 20.265 0.695 -20.960 1.00 0.00 N ATOM 0 H LYS A 103 13.732 1.654 -24.314 1.00 0.00 H new ATOM 0 HA LYS A 103 14.758 3.941 -22.879 1.00 0.00 H new ATOM 0 HB2 LYS A 103 15.303 1.605 -22.219 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.978 1.284 -23.804 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.772 2.994 -23.366 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.109 3.260 -21.766 1.00 0.00 H new ATOM 0 HD2 LYS A 103 17.574 0.888 -21.161 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.193 0.585 -22.772 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.027 2.222 -22.405 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.387 2.615 -20.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.201 1.041 -20.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 19.760 0.320 -20.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.380 -0.060 -21.666 1.00 0.00 H new ATOM 1249 N ASP A 104 16.314 5.080 -24.436 1.00 0.00 N ATOM 1250 CA ASP A 104 17.312 5.786 -25.253 1.00 0.00 C ATOM 1251 C ASP A 104 18.138 6.694 -24.318 1.00 0.00 C ATOM 1252 O ASP A 104 17.610 7.636 -23.707 1.00 0.00 O ATOM 1253 CB ASP A 104 16.665 6.572 -26.440 1.00 0.00 C ATOM 1254 CG ASP A 104 15.731 7.723 -26.033 1.00 0.00 C ATOM 1255 OD1 ASP A 104 14.583 7.451 -25.639 1.00 0.00 O ATOM 1256 OD2 ASP A 104 16.144 8.905 -26.104 1.00 0.00 O ATOM 0 H ASP A 104 16.084 5.568 -23.571 1.00 0.00 H new ATOM 0 HA ASP A 104 17.972 5.062 -25.730 1.00 0.00 H new ATOM 0 HB2 ASP A 104 17.462 6.976 -27.064 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.103 5.870 -27.056 1.00 0.00 H new ATOM 1261 N SER A 105 19.430 6.357 -24.161 1.00 0.00 N ATOM 1262 CA SER A 105 20.334 7.012 -23.195 1.00 0.00 C ATOM 1263 C SER A 105 21.661 7.425 -23.867 1.00 0.00 C ATOM 1264 O SER A 105 22.695 7.557 -23.192 1.00 0.00 O ATOM 1265 CB SER A 105 20.590 6.023 -22.032 1.00 0.00 C ATOM 1266 OG SER A 105 19.365 5.587 -21.446 1.00 0.00 O ATOM 0 H SER A 105 19.880 5.619 -24.703 1.00 0.00 H new ATOM 0 HA SER A 105 19.872 7.924 -22.816 1.00 0.00 H new ATOM 0 HB2 SER A 105 21.147 5.161 -22.400 1.00 0.00 H new ATOM 0 HB3 SER A 105 21.209 6.502 -21.273 1.00 0.00 H new ATOM 0 HG SER A 105 19.556 4.962 -20.716 1.00 0.00 H new ATOM 1272 N GLN A 106 21.618 7.655 -25.191 1.00 0.00 N ATOM 1273 CA GLN A 106 22.808 8.038 -25.966 1.00 0.00 C ATOM 1274 C GLN A 106 23.107 9.533 -25.735 1.00 0.00 C ATOM 1275 O GLN A 106 22.473 10.410 -26.337 1.00 0.00 O ATOM 1276 CB GLN A 106 22.645 7.759 -27.492 1.00 0.00 C ATOM 1277 CG GLN A 106 22.345 6.297 -27.900 1.00 0.00 C ATOM 1278 CD GLN A 106 20.927 5.822 -27.565 1.00 0.00 C ATOM 1279 OE1 GLN A 106 20.681 5.259 -26.505 1.00 0.00 O ATOM 1280 NE2 GLN A 106 19.976 6.096 -28.448 1.00 0.00 N ATOM 0 H GLN A 106 20.767 7.581 -25.748 1.00 0.00 H new ATOM 0 HA GLN A 106 23.639 7.425 -25.618 1.00 0.00 H new ATOM 0 HB2 GLN A 106 21.841 8.390 -27.870 1.00 0.00 H new ATOM 0 HB3 GLN A 106 23.560 8.073 -27.995 1.00 0.00 H new ATOM 0 HG2 GLN A 106 22.506 6.192 -28.973 1.00 0.00 H new ATOM 0 HG3 GLN A 106 23.061 5.641 -27.405 1.00 0.00 H new ATOM 0 HE21 GLN A 106 20.212 6.566 -29.322 1.00 0.00 H new ATOM 0 HE22 GLN A 106 19.009 5.837 -28.253 1.00 0.00 H new ATOM 1289 N LEU A 107 24.054 9.805 -24.824 1.00 0.00 N ATOM 1290 CA LEU A 107 24.478 11.177 -24.495 1.00 0.00 C ATOM 1291 C LEU A 107 25.448 11.681 -25.581 1.00 0.00 C ATOM 1292 O LEU A 107 26.625 11.292 -25.622 1.00 0.00 O ATOM 1293 CB LEU A 107 25.098 11.294 -23.056 1.00 0.00 C ATOM 1294 CG LEU A 107 26.194 10.243 -22.637 1.00 0.00 C ATOM 1295 CD1 LEU A 107 27.180 10.838 -21.607 1.00 0.00 C ATOM 1296 CD2 LEU A 107 25.563 8.947 -22.075 1.00 0.00 C ATOM 0 H LEU A 107 24.546 9.084 -24.296 1.00 0.00 H new ATOM 0 HA LEU A 107 23.593 11.814 -24.480 1.00 0.00 H new ATOM 0 HB2 LEU A 107 25.534 12.288 -22.960 1.00 0.00 H new ATOM 0 HB3 LEU A 107 24.283 11.233 -22.335 1.00 0.00 H new ATOM 0 HG LEU A 107 26.745 9.989 -23.542 1.00 0.00 H new ATOM 0 HD11 LEU A 107 27.923 10.087 -21.339 1.00 0.00 H new ATOM 0 HD12 LEU A 107 27.680 11.705 -22.040 1.00 0.00 H new ATOM 0 HD13 LEU A 107 26.634 11.143 -20.714 1.00 0.00 H new ATOM 0 HD21 LEU A 107 26.352 8.248 -21.798 1.00 0.00 H new ATOM 0 HD22 LEU A 107 24.964 9.185 -21.196 1.00 0.00 H new ATOM 0 HD23 LEU A 107 24.927 8.493 -22.835 1.00 0.00 H new ATOM 1308 N ARG A 108 24.908 12.504 -26.492 1.00 0.00 N ATOM 1309 CA ARG A 108 25.648 13.082 -27.632 1.00 0.00 C ATOM 1310 C ARG A 108 25.131 14.517 -27.913 1.00 0.00 C ATOM 1311 O ARG A 108 25.901 15.485 -27.721 1.00 0.00 O ATOM 1312 CB ARG A 108 25.545 12.155 -28.899 1.00 0.00 C ATOM 1313 CG ARG A 108 24.145 11.547 -29.153 1.00 0.00 C ATOM 1314 CD ARG A 108 24.010 10.870 -30.533 1.00 0.00 C ATOM 1315 NE ARG A 108 24.181 11.830 -31.643 1.00 0.00 N ATOM 1316 CZ ARG A 108 23.257 12.711 -32.074 1.00 0.00 C ATOM 1317 NH1 ARG A 108 22.057 12.789 -31.498 1.00 0.00 N ATOM 1318 NH2 ARG A 108 23.548 13.524 -33.079 1.00 0.00 N ATOM 1319 OXT ARG A 108 23.947 14.675 -28.282 1.00 0.00 O ATOM 0 H ARG A 108 23.930 12.793 -26.460 1.00 0.00 H new ATOM 0 HA ARG A 108 26.706 13.147 -27.380 1.00 0.00 H new ATOM 0 HB2 ARG A 108 25.839 12.731 -29.777 1.00 0.00 H new ATOM 0 HB3 ARG A 108 26.264 11.342 -28.795 1.00 0.00 H new ATOM 0 HG2 ARG A 108 23.929 10.815 -28.375 1.00 0.00 H new ATOM 0 HG3 ARG A 108 23.395 12.333 -29.068 1.00 0.00 H new ATOM 0 HD2 ARG A 108 24.753 10.078 -30.622 1.00 0.00 H new ATOM 0 HD3 ARG A 108 23.031 10.398 -30.610 1.00 0.00 H new ATOM 0 HE ARG A 108 25.079 11.825 -32.126 1.00 0.00 H new ATOM 0 HH11 ARG A 108 21.825 12.175 -30.717 1.00 0.00 H new ATOM 0 HH12 ARG A 108 21.371 13.462 -31.838 1.00 0.00 H new ATOM 0 HH21 ARG A 108 24.466 13.480 -33.521 1.00 0.00 H new ATOM 0 HH22 ARG A 108 22.854 14.194 -33.411 1.00 0.00 H new TER 1333 ARG A 108 HETATM 1334 ZN ZN A 109 -14.314 -23.550 -24.871 1.00 0.00 ZN