USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 786 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 76 SER OG : rot -98:sc= 0.23 USER MOD Set 1.2: A 97 HIS : no HE2:sc= 0.0142 K(o=0.24,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 50:sc= 0.0302 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 18:sc= 1.13 USER MOD Single : A 22 SER OG : rot -43:sc= 0.8 USER MOD Single : A 23 SER OG : rot -68:sc= 0.00166 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc=-0.000194 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.682 K(o=-0.68,f=-0.048) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -170:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -168:sc= 0.261 USER MOD Single : A 62 SER OG : rot 82:sc= 0.191 USER MOD Single : A 64 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0597 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 96 HIS : no HE2:sc= -3.02! C(o=-3!,f=-5!) USER MOD Single : A 98 SER OG : rot 25:sc= 0.27 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.12) USER MOD Single : A 104 SER OG : rot 83:sc= 0.0972 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.945 24.278 7.896 1.00 0.00 N ATOM 2 CA GLY A 1 16.537 24.077 9.274 1.00 0.00 C ATOM 3 C GLY A 1 15.321 23.179 9.394 1.00 0.00 C ATOM 4 O GLY A 1 14.186 23.641 9.280 1.00 0.00 O ATOM 0 H1 GLY A 1 17.779 24.898 7.868 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.181 23.361 7.466 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.168 24.719 7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.364 23.641 9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.318 25.043 9.729 1.00 0.00 H new ATOM 8 N SER A 2 15.559 21.892 9.622 1.00 0.00 N ATOM 9 CA SER A 2 14.474 20.925 9.752 1.00 0.00 C ATOM 10 C SER A 2 14.232 20.574 11.216 1.00 0.00 C ATOM 11 O SER A 2 15.114 20.736 12.060 1.00 0.00 O ATOM 12 CB SER A 2 14.795 19.657 8.958 1.00 0.00 C ATOM 13 OG SER A 2 15.141 19.967 7.619 1.00 0.00 O ATOM 0 H SER A 2 16.493 21.494 9.721 1.00 0.00 H new ATOM 0 HA SER A 2 13.567 21.377 9.350 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.617 19.124 9.435 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.933 18.989 8.969 1.00 0.00 H new ATOM 0 HG SER A 2 15.343 19.140 7.134 1.00 0.00 H new ATOM 19 N SER A 3 13.028 20.093 11.511 1.00 0.00 N ATOM 20 CA SER A 3 12.666 19.722 12.874 1.00 0.00 C ATOM 21 C SER A 3 13.107 18.294 13.184 1.00 0.00 C ATOM 22 O SER A 3 13.817 18.049 14.158 1.00 0.00 O ATOM 23 CB SER A 3 11.156 19.857 13.078 1.00 0.00 C ATOM 24 OG SER A 3 10.767 21.219 13.118 1.00 0.00 O ATOM 0 H SER A 3 12.287 19.951 10.824 1.00 0.00 H new ATOM 0 HA SER A 3 13.180 20.399 13.557 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.630 19.349 12.270 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.866 19.365 14.006 1.00 0.00 H new ATOM 0 HG SER A 3 9.797 21.279 13.247 1.00 0.00 H new ATOM 30 N GLY A 4 12.679 17.354 12.346 1.00 0.00 N ATOM 31 CA GLY A 4 13.038 15.963 12.547 1.00 0.00 C ATOM 32 C GLY A 4 13.758 15.372 11.351 1.00 0.00 C ATOM 33 O GLY A 4 14.869 14.857 11.478 1.00 0.00 O ATOM 0 H GLY A 4 12.090 17.532 11.532 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.674 15.879 13.428 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.137 15.384 12.748 1.00 0.00 H new ATOM 37 N SER A 5 13.123 15.444 10.185 1.00 0.00 N ATOM 38 CA SER A 5 13.707 14.906 8.962 1.00 0.00 C ATOM 39 C SER A 5 14.331 13.537 9.214 1.00 0.00 C ATOM 40 O SER A 5 15.434 13.250 8.750 1.00 0.00 O ATOM 41 CB SER A 5 14.764 15.867 8.412 1.00 0.00 C ATOM 42 OG SER A 5 14.900 15.725 7.008 1.00 0.00 O ATOM 0 H SER A 5 12.204 15.870 10.062 1.00 0.00 H new ATOM 0 HA SER A 5 12.910 14.793 8.227 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.487 16.894 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.722 15.674 8.895 1.00 0.00 H new ATOM 0 HG SER A 5 15.580 16.350 6.680 1.00 0.00 H new ATOM 48 N SER A 6 13.615 12.695 9.952 1.00 0.00 N ATOM 49 CA SER A 6 14.098 11.356 10.270 1.00 0.00 C ATOM 50 C SER A 6 13.348 10.302 9.461 1.00 0.00 C ATOM 51 O SER A 6 12.243 10.543 8.979 1.00 0.00 O ATOM 52 CB SER A 6 13.940 11.075 11.766 1.00 0.00 C ATOM 53 OG SER A 6 14.939 11.742 12.518 1.00 0.00 O ATOM 0 H SER A 6 12.698 12.916 10.341 1.00 0.00 H new ATOM 0 HA SER A 6 15.155 11.306 10.008 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.954 11.399 12.098 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.001 10.002 11.946 1.00 0.00 H new ATOM 0 HG SER A 6 14.973 12.685 12.253 1.00 0.00 H new ATOM 59 N GLY A 7 13.960 9.130 9.317 1.00 0.00 N ATOM 60 CA GLY A 7 13.337 8.055 8.567 1.00 0.00 C ATOM 61 C GLY A 7 13.630 8.140 7.082 1.00 0.00 C ATOM 62 O GLY A 7 14.140 9.144 6.584 1.00 0.00 O ATOM 0 H GLY A 7 14.876 8.906 9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.689 7.097 8.950 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.259 8.084 8.724 1.00 0.00 H new ATOM 66 N PRO A 8 13.304 7.065 6.348 1.00 0.00 N ATOM 67 CA PRO A 8 13.527 6.997 4.901 1.00 0.00 C ATOM 68 C PRO A 8 12.600 7.928 4.127 1.00 0.00 C ATOM 69 O PRO A 8 11.645 8.484 4.670 1.00 0.00 O ATOM 70 CB PRO A 8 13.222 5.536 4.563 1.00 0.00 C ATOM 71 CG PRO A 8 12.289 5.086 5.634 1.00 0.00 C ATOM 72 CD PRO A 8 12.693 5.834 6.875 1.00 0.00 C ATOM 0 HA PRO A 8 14.535 7.310 4.629 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.766 5.445 3.577 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.131 4.934 4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.255 5.302 5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.360 4.009 5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.834 6.052 7.510 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.398 5.262 7.477 1.00 0.00 H new ATOM 80 N PRO A 9 12.885 8.103 2.828 1.00 0.00 N ATOM 81 CA PRO A 9 12.087 8.965 1.952 1.00 0.00 C ATOM 82 C PRO A 9 10.705 8.387 1.671 1.00 0.00 C ATOM 83 O PRO A 9 10.531 7.170 1.613 1.00 0.00 O ATOM 84 CB PRO A 9 12.914 9.025 0.665 1.00 0.00 C ATOM 85 CG PRO A 9 13.714 7.768 0.671 1.00 0.00 C ATOM 86 CD PRO A 9 14.008 7.471 2.115 1.00 0.00 C ATOM 0 HA PRO A 9 11.900 9.940 2.401 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.273 9.083 -0.215 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.558 9.904 0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.160 6.951 0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.636 7.889 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.051 6.398 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.966 7.888 2.424 1.00 0.00 H new ATOM 94 N ALA A 10 9.724 9.267 1.498 1.00 0.00 N ATOM 95 CA ALA A 10 8.357 8.843 1.221 1.00 0.00 C ATOM 96 C ALA A 10 8.275 8.082 -0.098 1.00 0.00 C ATOM 97 O ALA A 10 8.618 8.613 -1.155 1.00 0.00 O ATOM 98 CB ALA A 10 7.426 10.046 1.198 1.00 0.00 C ATOM 0 H ALA A 10 9.851 10.278 1.545 1.00 0.00 H new ATOM 0 HA ALA A 10 8.043 8.170 2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.409 9.715 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.454 10.546 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.747 10.740 0.421 1.00 0.00 H new ATOM 104 N VAL A 11 7.819 6.835 -0.030 1.00 0.00 N ATOM 105 CA VAL A 11 7.692 6.002 -1.220 1.00 0.00 C ATOM 106 C VAL A 11 6.954 6.739 -2.331 1.00 0.00 C ATOM 107 O VAL A 11 5.819 7.180 -2.150 1.00 0.00 O ATOM 108 CB VAL A 11 6.949 4.689 -0.908 1.00 0.00 C ATOM 109 CG1 VAL A 11 7.147 3.683 -2.032 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.417 4.115 0.421 1.00 0.00 C ATOM 0 H VAL A 11 7.532 6.380 0.836 1.00 0.00 H new ATOM 0 HA VAL A 11 8.703 5.769 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 11 5.883 4.905 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.615 2.762 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.758 4.096 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.210 3.469 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.882 3.188 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.487 3.913 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.218 4.832 1.217 1.00 0.00 H new ATOM 120 N SER A 12 7.606 6.869 -3.482 1.00 0.00 N ATOM 121 CA SER A 12 7.013 7.557 -4.623 1.00 0.00 C ATOM 122 C SER A 12 6.757 6.584 -5.770 1.00 0.00 C ATOM 123 O SER A 12 7.078 5.399 -5.677 1.00 0.00 O ATOM 124 CB SER A 12 7.928 8.689 -5.095 1.00 0.00 C ATOM 125 OG SER A 12 9.129 8.179 -5.645 1.00 0.00 O ATOM 0 H SER A 12 8.545 6.507 -3.649 1.00 0.00 H new ATOM 0 HA SER A 12 6.059 7.978 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.410 9.292 -5.841 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.159 9.347 -4.257 1.00 0.00 H new ATOM 0 HG SER A 12 9.695 8.922 -5.940 1.00 0.00 H new ATOM 131 N ASP A 13 6.177 7.093 -6.851 1.00 0.00 N ATOM 132 CA ASP A 13 5.878 6.271 -8.018 1.00 0.00 C ATOM 133 C ASP A 13 5.184 4.976 -7.606 1.00 0.00 C ATOM 134 O ASP A 13 5.640 3.883 -7.941 1.00 0.00 O ATOM 135 CB ASP A 13 7.161 5.954 -8.788 1.00 0.00 C ATOM 136 CG ASP A 13 6.890 5.565 -10.228 1.00 0.00 C ATOM 137 OD1 ASP A 13 6.465 6.442 -11.009 1.00 0.00 O ATOM 138 OD2 ASP A 13 7.104 4.384 -10.574 1.00 0.00 O ATOM 0 H ASP A 13 5.904 8.071 -6.944 1.00 0.00 H new ATOM 0 HA ASP A 13 5.205 6.833 -8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.818 6.823 -8.767 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.690 5.142 -8.289 1.00 0.00 H new ATOM 143 N ILE A 14 4.080 5.108 -6.878 1.00 0.00 N ATOM 144 CA ILE A 14 3.324 3.949 -6.422 1.00 0.00 C ATOM 145 C ILE A 14 2.093 3.718 -7.292 1.00 0.00 C ATOM 146 O ILE A 14 1.046 4.329 -7.079 1.00 0.00 O ATOM 147 CB ILE A 14 2.879 4.109 -4.956 1.00 0.00 C ATOM 148 CG1 ILE A 14 4.048 4.592 -4.095 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.329 2.794 -4.423 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.615 5.341 -2.854 1.00 0.00 C ATOM 0 H ILE A 14 3.690 6.006 -6.592 1.00 0.00 H new ATOM 0 HA ILE A 14 3.988 3.088 -6.501 1.00 0.00 H new ATOM 0 HB ILE A 14 2.087 4.856 -4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.650 3.733 -3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.688 5.239 -4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.019 2.923 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.472 2.488 -5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.102 2.027 -4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.495 5.653 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.038 6.220 -3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.000 4.690 -2.233 1.00 0.00 H new ATOM 162 N ARG A 15 2.227 2.830 -8.272 1.00 0.00 N ATOM 163 CA ARG A 15 1.126 2.517 -9.175 1.00 0.00 C ATOM 164 C ARG A 15 0.653 1.079 -8.978 1.00 0.00 C ATOM 165 O ARG A 15 1.343 0.267 -8.361 1.00 0.00 O ATOM 166 CB ARG A 15 1.553 2.730 -10.628 1.00 0.00 C ATOM 167 CG ARG A 15 0.405 2.642 -11.620 1.00 0.00 C ATOM 168 CD ARG A 15 0.802 3.190 -12.982 1.00 0.00 C ATOM 169 NE ARG A 15 -0.354 3.378 -13.854 1.00 0.00 N ATOM 170 CZ ARG A 15 -0.275 3.880 -15.081 1.00 0.00 C ATOM 171 NH1 ARG A 15 0.899 4.243 -15.578 1.00 0.00 N ATOM 172 NH2 ARG A 15 -1.372 4.021 -15.814 1.00 0.00 N ATOM 0 H ARG A 15 3.087 2.315 -8.461 1.00 0.00 H new ATOM 0 HA ARG A 15 0.299 3.188 -8.945 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.026 3.708 -10.719 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.306 1.986 -10.889 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.090 1.604 -11.722 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.451 3.199 -11.238 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.318 4.142 -12.854 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.507 2.507 -13.456 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.273 3.109 -13.501 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.745 4.137 -15.018 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.957 4.628 -16.521 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.278 3.744 -15.435 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.310 4.407 -16.756 1.00 0.00 H new ATOM 186 N VAL A 16 -0.527 0.772 -9.507 1.00 0.00 N ATOM 187 CA VAL A 16 -1.092 -0.567 -9.390 1.00 0.00 C ATOM 188 C VAL A 16 -1.063 -1.294 -10.730 1.00 0.00 C ATOM 189 O VAL A 16 -1.745 -0.901 -11.677 1.00 0.00 O ATOM 190 CB VAL A 16 -2.542 -0.522 -8.874 1.00 0.00 C ATOM 191 CG1 VAL A 16 -3.099 -1.929 -8.720 1.00 0.00 C ATOM 192 CG2 VAL A 16 -2.614 0.235 -7.556 1.00 0.00 C ATOM 0 H VAL A 16 -1.110 1.432 -10.021 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.476 -1.109 -8.672 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.153 0.006 -9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.125 -1.876 -8.354 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.084 -2.434 -9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.489 -2.486 -8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.646 0.257 -7.205 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.990 -0.264 -6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.258 1.255 -7.702 1.00 0.00 H new ATOM 202 N THR A 17 -0.270 -2.358 -10.803 1.00 0.00 N ATOM 203 CA THR A 17 -0.152 -3.140 -12.027 1.00 0.00 C ATOM 204 C THR A 17 -0.655 -4.564 -11.821 1.00 0.00 C ATOM 205 O THR A 17 -0.818 -5.017 -10.687 1.00 0.00 O ATOM 206 CB THR A 17 1.306 -3.191 -12.524 1.00 0.00 C ATOM 207 OG1 THR A 17 1.367 -3.835 -13.801 1.00 0.00 O ATOM 208 CG2 THR A 17 2.190 -3.933 -11.533 1.00 0.00 C ATOM 0 H THR A 17 0.300 -2.698 -10.029 1.00 0.00 H new ATOM 0 HA THR A 17 -0.768 -2.644 -12.778 1.00 0.00 H new ATOM 0 HB THR A 17 1.670 -2.168 -12.617 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.297 -3.861 -14.110 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.214 -3.956 -11.905 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.165 -3.423 -10.570 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.825 -4.953 -11.412 1.00 0.00 H new ATOM 216 N ARG A 18 -0.900 -5.266 -12.922 1.00 0.00 N ATOM 217 CA ARG A 18 -1.385 -6.640 -12.861 1.00 0.00 C ATOM 218 C ARG A 18 -2.659 -6.729 -12.024 1.00 0.00 C ATOM 219 O ARG A 18 -2.763 -7.559 -11.122 1.00 0.00 O ATOM 220 CB ARG A 18 -0.311 -7.557 -12.274 1.00 0.00 C ATOM 221 CG ARG A 18 0.841 -7.833 -13.226 1.00 0.00 C ATOM 222 CD ARG A 18 1.853 -8.789 -12.614 1.00 0.00 C ATOM 223 NE ARG A 18 1.503 -10.186 -12.857 1.00 0.00 N ATOM 224 CZ ARG A 18 1.440 -10.728 -14.068 1.00 0.00 C ATOM 225 NH1 ARG A 18 1.704 -9.995 -15.141 1.00 0.00 N ATOM 226 NH2 ARG A 18 1.114 -12.006 -14.208 1.00 0.00 N ATOM 0 H ARG A 18 -0.771 -4.906 -13.868 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.614 -6.964 -13.876 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.082 -7.106 -11.363 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.770 -8.504 -11.988 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.455 -8.255 -14.154 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.334 -6.896 -13.484 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.840 -8.585 -13.028 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.915 -8.612 -11.540 1.00 0.00 H new ATOM 0 HE ARG A 18 1.296 -10.778 -12.053 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.956 -9.012 -15.038 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.655 -10.414 -16.070 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.911 -12.574 -13.385 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.066 -12.421 -15.138 1.00 0.00 H new ATOM 240 N SER A 19 -3.624 -5.868 -12.331 1.00 0.00 N ATOM 241 CA SER A 19 -4.888 -5.847 -11.605 1.00 0.00 C ATOM 242 C SER A 19 -5.512 -7.238 -11.560 1.00 0.00 C ATOM 243 O SER A 19 -5.048 -8.160 -12.230 1.00 0.00 O ATOM 244 CB SER A 19 -5.859 -4.861 -12.257 1.00 0.00 C ATOM 245 OG SER A 19 -6.030 -5.150 -13.634 1.00 0.00 O ATOM 0 H SER A 19 -3.554 -5.176 -13.077 1.00 0.00 H new ATOM 0 HA SER A 19 -4.686 -5.525 -10.583 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.823 -4.906 -11.750 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.484 -3.844 -12.139 1.00 0.00 H new ATOM 0 HG SER A 19 -6.656 -4.507 -14.028 1.00 0.00 H new ATOM 251 N SER A 20 -6.567 -7.381 -10.764 1.00 0.00 N ATOM 252 CA SER A 20 -7.254 -8.660 -10.627 1.00 0.00 C ATOM 253 C SER A 20 -8.513 -8.513 -9.778 1.00 0.00 C ATOM 254 O SER A 20 -8.645 -7.591 -8.973 1.00 0.00 O ATOM 255 CB SER A 20 -6.321 -9.699 -10.000 1.00 0.00 C ATOM 256 OG SER A 20 -5.436 -10.238 -10.966 1.00 0.00 O ATOM 0 H SER A 20 -6.965 -6.627 -10.204 1.00 0.00 H new ATOM 0 HA SER A 20 -7.545 -8.996 -11.622 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.749 -9.239 -9.194 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.911 -10.500 -9.555 1.00 0.00 H new ATOM 0 HG SER A 20 -5.410 -9.650 -11.750 1.00 0.00 H new ATOM 262 N PRO A 21 -9.462 -9.443 -9.963 1.00 0.00 N ATOM 263 CA PRO A 21 -10.728 -9.440 -9.224 1.00 0.00 C ATOM 264 C PRO A 21 -10.539 -9.783 -7.750 1.00 0.00 C ATOM 265 O PRO A 21 -9.973 -10.822 -7.412 1.00 0.00 O ATOM 266 CB PRO A 21 -11.550 -10.524 -9.924 1.00 0.00 C ATOM 267 CG PRO A 21 -10.539 -11.438 -10.525 1.00 0.00 C ATOM 268 CD PRO A 21 -9.371 -10.570 -10.906 1.00 0.00 C ATOM 0 HA PRO A 21 -11.201 -8.458 -9.229 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.191 -11.052 -9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.200 -10.097 -10.687 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.238 -12.208 -9.815 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.945 -11.950 -11.397 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.425 -11.102 -10.806 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.440 -10.235 -11.941 1.00 0.00 H new ATOM 276 N SER A 22 -11.019 -8.903 -6.876 1.00 0.00 N ATOM 277 CA SER A 22 -10.900 -9.112 -5.438 1.00 0.00 C ATOM 278 C SER A 22 -9.435 -9.184 -5.019 1.00 0.00 C ATOM 279 O SER A 22 -9.094 -9.813 -4.016 1.00 0.00 O ATOM 280 CB SER A 22 -11.623 -10.396 -5.026 1.00 0.00 C ATOM 281 OG SER A 22 -11.632 -10.547 -3.617 1.00 0.00 O ATOM 0 H SER A 22 -11.494 -8.039 -7.139 1.00 0.00 H new ATOM 0 HA SER A 22 -11.363 -8.264 -4.933 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.647 -10.376 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.133 -11.256 -5.484 1.00 0.00 H new ATOM 0 HG SER A 22 -10.751 -10.312 -3.257 1.00 0.00 H new ATOM 287 N SER A 23 -8.571 -8.535 -5.793 1.00 0.00 N ATOM 288 CA SER A 23 -7.142 -8.528 -5.506 1.00 0.00 C ATOM 289 C SER A 23 -6.424 -7.478 -6.348 1.00 0.00 C ATOM 290 O SER A 23 -6.742 -7.282 -7.522 1.00 0.00 O ATOM 291 CB SER A 23 -6.540 -9.909 -5.770 1.00 0.00 C ATOM 292 OG SER A 23 -6.841 -10.355 -7.081 1.00 0.00 O ATOM 0 H SER A 23 -8.836 -8.007 -6.624 1.00 0.00 H new ATOM 0 HA SER A 23 -7.009 -8.277 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.459 -9.870 -5.635 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.926 -10.623 -5.042 1.00 0.00 H new ATOM 0 HG SER A 23 -7.801 -10.541 -7.151 1.00 0.00 H new ATOM 298 N LEU A 24 -5.453 -6.805 -5.741 1.00 0.00 N ATOM 299 CA LEU A 24 -4.687 -5.774 -6.434 1.00 0.00 C ATOM 300 C LEU A 24 -3.206 -5.867 -6.083 1.00 0.00 C ATOM 301 O LEU A 24 -2.826 -5.761 -4.917 1.00 0.00 O ATOM 302 CB LEU A 24 -5.222 -4.386 -6.074 1.00 0.00 C ATOM 303 CG LEU A 24 -6.504 -3.955 -6.788 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.727 -4.394 -5.999 1.00 0.00 C ATOM 305 CD2 LEU A 24 -6.515 -2.448 -7.000 1.00 0.00 C ATOM 0 H LEU A 24 -5.177 -6.954 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.797 -5.933 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.400 -4.355 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.445 -3.652 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.535 -4.439 -7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.630 -4.079 -6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.725 -5.479 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.704 -3.939 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.434 -2.159 -7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.461 -1.944 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.657 -2.160 -7.608 1.00 0.00 H new ATOM 317 N SER A 25 -2.373 -6.064 -7.100 1.00 0.00 N ATOM 318 CA SER A 25 -0.933 -6.173 -6.899 1.00 0.00 C ATOM 319 C SER A 25 -0.281 -4.794 -6.886 1.00 0.00 C ATOM 320 O SER A 25 -0.362 -4.046 -7.861 1.00 0.00 O ATOM 321 CB SER A 25 -0.307 -7.035 -7.997 1.00 0.00 C ATOM 322 OG SER A 25 1.092 -7.161 -7.811 1.00 0.00 O ATOM 0 H SER A 25 -2.671 -6.151 -8.072 1.00 0.00 H new ATOM 0 HA SER A 25 -0.761 -6.647 -5.933 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.768 -8.023 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.509 -6.591 -8.972 1.00 0.00 H new ATOM 0 HG SER A 25 1.468 -7.718 -8.524 1.00 0.00 H new ATOM 328 N LEU A 26 0.367 -4.464 -5.774 1.00 0.00 N ATOM 329 CA LEU A 26 1.035 -3.174 -5.632 1.00 0.00 C ATOM 330 C LEU A 26 2.542 -3.318 -5.820 1.00 0.00 C ATOM 331 O LEU A 26 3.108 -4.383 -5.577 1.00 0.00 O ATOM 332 CB LEU A 26 0.735 -2.571 -4.258 1.00 0.00 C ATOM 333 CG LEU A 26 -0.742 -2.475 -3.875 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.902 -2.478 -2.363 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.368 -1.225 -4.477 1.00 0.00 C ATOM 0 H LEU A 26 0.444 -5.071 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 26 0.654 -2.507 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.248 -3.166 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.165 -1.570 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.260 -3.346 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.960 -2.409 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.490 -3.401 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.371 -1.626 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.419 -1.172 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.848 -0.342 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.286 -1.264 -5.563 1.00 0.00 H new ATOM 347 N ALA A 27 3.185 -2.238 -6.251 1.00 0.00 N ATOM 348 CA ALA A 27 4.626 -2.242 -6.467 1.00 0.00 C ATOM 349 C ALA A 27 5.164 -0.822 -6.609 1.00 0.00 C ATOM 350 O ALA A 27 4.694 -0.051 -7.445 1.00 0.00 O ATOM 351 CB ALA A 27 4.973 -3.066 -7.698 1.00 0.00 C ATOM 0 H ALA A 27 2.730 -1.349 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 27 5.098 -2.695 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.053 -3.060 -7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.632 -4.092 -7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.484 -2.637 -8.573 1.00 0.00 H new ATOM 357 N TRP A 28 6.151 -0.484 -5.787 1.00 0.00 N ATOM 358 CA TRP A 28 6.752 0.844 -5.821 1.00 0.00 C ATOM 359 C TRP A 28 8.202 0.774 -6.287 1.00 0.00 C ATOM 360 O TRP A 28 8.781 -0.308 -6.384 1.00 0.00 O ATOM 361 CB TRP A 28 6.679 1.496 -4.439 1.00 0.00 C ATOM 362 CG TRP A 28 6.783 0.512 -3.313 1.00 0.00 C ATOM 363 CD1 TRP A 28 7.770 0.446 -2.371 1.00 0.00 C ATOM 364 CD2 TRP A 28 5.867 -0.546 -3.012 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.523 -0.590 -1.503 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.361 -1.214 -1.874 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.677 -0.994 -3.592 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.705 -2.305 -1.309 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.028 -2.077 -3.030 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.542 -2.722 -1.897 1.00 0.00 C ATOM 0 H TRP A 28 6.552 -1.111 -5.089 1.00 0.00 H new ATOM 0 HA TRP A 28 6.190 1.451 -6.531 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.481 2.228 -4.348 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.739 2.040 -4.351 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.620 1.110 -2.317 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.110 -0.852 -0.711 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.272 -0.502 -4.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.101 -2.805 -0.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.109 -2.432 -3.472 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.010 -3.564 -1.480 1.00 0.00 H new ATOM 381 N ALA A 29 8.784 1.933 -6.575 1.00 0.00 N ATOM 382 CA ALA A 29 10.167 2.002 -7.029 1.00 0.00 C ATOM 383 C ALA A 29 11.123 2.169 -5.853 1.00 0.00 C ATOM 384 O ALA A 29 11.121 3.199 -5.179 1.00 0.00 O ATOM 385 CB ALA A 29 10.342 3.144 -8.020 1.00 0.00 C ATOM 0 H ALA A 29 8.319 2.838 -6.502 1.00 0.00 H new ATOM 0 HA ALA A 29 10.406 1.063 -7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.380 3.183 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.693 2.982 -8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.078 4.086 -7.540 1.00 0.00 H new ATOM 391 N VAL A 30 11.940 1.148 -5.611 1.00 0.00 N ATOM 392 CA VAL A 30 12.902 1.182 -4.516 1.00 0.00 C ATOM 393 C VAL A 30 13.584 2.542 -4.426 1.00 0.00 C ATOM 394 O VAL A 30 14.401 2.913 -5.270 1.00 0.00 O ATOM 395 CB VAL A 30 13.977 0.091 -4.679 1.00 0.00 C ATOM 396 CG1 VAL A 30 14.967 0.140 -3.526 1.00 0.00 C ATOM 397 CG2 VAL A 30 13.330 -1.282 -4.778 1.00 0.00 C ATOM 0 H VAL A 30 11.955 0.288 -6.159 1.00 0.00 H new ATOM 0 HA VAL A 30 12.344 0.997 -3.598 1.00 0.00 H new ATOM 0 HB VAL A 30 14.523 0.279 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 30 15.719 -0.638 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.454 1.115 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 30 14.439 -0.022 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.104 -2.041 -4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.758 -1.481 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.664 -1.309 -5.641 1.00 0.00 H new ATOM 407 N PRO A 31 13.244 3.307 -3.377 1.00 0.00 N ATOM 408 CA PRO A 31 13.813 4.638 -3.150 1.00 0.00 C ATOM 409 C PRO A 31 15.285 4.580 -2.755 1.00 0.00 C ATOM 410 O PRO A 31 15.754 3.577 -2.217 1.00 0.00 O ATOM 411 CB PRO A 31 12.972 5.192 -1.998 1.00 0.00 C ATOM 412 CG PRO A 31 12.472 3.987 -1.280 1.00 0.00 C ATOM 413 CD PRO A 31 12.278 2.929 -2.332 1.00 0.00 C ATOM 0 HA PRO A 31 13.784 5.252 -4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.569 5.825 -1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.148 5.803 -2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.185 3.659 -0.524 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.536 4.201 -0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.479 1.932 -1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.256 2.923 -2.712 1.00 0.00 H new ATOM 421 N ARG A 32 16.009 5.662 -3.026 1.00 0.00 N ATOM 422 CA ARG A 32 17.428 5.733 -2.699 1.00 0.00 C ATOM 423 C ARG A 32 17.640 6.389 -1.338 1.00 0.00 C ATOM 424 O ARG A 32 17.475 7.599 -1.189 1.00 0.00 O ATOM 425 CB ARG A 32 18.183 6.513 -3.777 1.00 0.00 C ATOM 426 CG ARG A 32 18.364 5.741 -5.073 1.00 0.00 C ATOM 427 CD ARG A 32 18.550 6.677 -6.258 1.00 0.00 C ATOM 428 NE ARG A 32 19.283 6.041 -7.348 1.00 0.00 N ATOM 429 CZ ARG A 32 20.591 5.809 -7.317 1.00 0.00 C ATOM 430 NH1 ARG A 32 21.304 6.158 -6.256 1.00 0.00 N ATOM 431 NH2 ARG A 32 21.187 5.226 -8.349 1.00 0.00 N ATOM 0 H ARG A 32 15.636 6.501 -3.471 1.00 0.00 H new ATOM 0 HA ARG A 32 17.817 4.716 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.646 7.438 -3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 32 19.163 6.794 -3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 32 19.229 5.083 -4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.495 5.105 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.575 7.003 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 32 19.085 7.570 -5.934 1.00 0.00 H new ATOM 0 HE ARG A 32 18.763 5.759 -8.179 1.00 0.00 H new ATOM 0 HH11 ARG A 32 20.849 6.606 -5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 32 22.308 5.979 -6.235 1.00 0.00 H new ATOM 0 HH21 ARG A 32 20.641 4.956 -9.167 1.00 0.00 H new ATOM 0 HH22 ARG A 32 22.191 5.048 -8.324 1.00 0.00 H new ATOM 445 N ALA A 33 18.006 5.581 -0.348 1.00 0.00 N ATOM 446 CA ALA A 33 18.242 6.083 1.000 1.00 0.00 C ATOM 447 C ALA A 33 19.734 6.253 1.269 1.00 0.00 C ATOM 448 O ALA A 33 20.560 5.437 0.859 1.00 0.00 O ATOM 449 CB ALA A 33 17.622 5.148 2.027 1.00 0.00 C ATOM 0 H ALA A 33 18.145 4.576 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 33 17.770 7.062 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.806 5.535 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.548 5.080 1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 33 18.068 4.158 1.933 1.00 0.00 H new ATOM 455 N PRO A 34 20.089 7.337 1.974 1.00 0.00 N ATOM 456 CA PRO A 34 21.482 7.639 2.313 1.00 0.00 C ATOM 457 C PRO A 34 22.054 6.665 3.338 1.00 0.00 C ATOM 458 O PRO A 34 23.268 6.582 3.520 1.00 0.00 O ATOM 459 CB PRO A 34 21.406 9.050 2.902 1.00 0.00 C ATOM 460 CG PRO A 34 20.015 9.170 3.419 1.00 0.00 C ATOM 461 CD PRO A 34 19.157 8.351 2.495 1.00 0.00 C ATOM 0 HA PRO A 34 22.138 7.558 1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 34 22.138 9.186 3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.614 9.807 2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.946 8.803 4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.692 10.211 3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 34 18.320 7.894 3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 34 18.735 8.958 1.694 1.00 0.00 H new ATOM 469 N SER A 35 21.170 5.929 4.005 1.00 0.00 N ATOM 470 CA SER A 35 21.587 4.962 5.014 1.00 0.00 C ATOM 471 C SER A 35 21.378 3.535 4.518 1.00 0.00 C ATOM 472 O SER A 35 20.246 3.066 4.399 1.00 0.00 O ATOM 473 CB SER A 35 20.809 5.182 6.313 1.00 0.00 C ATOM 474 OG SER A 35 21.156 6.419 6.912 1.00 0.00 O ATOM 0 H SER A 35 20.161 5.984 3.865 1.00 0.00 H new ATOM 0 HA SER A 35 22.650 5.109 5.206 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.739 5.161 6.108 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.016 4.367 7.007 1.00 0.00 H new ATOM 0 HG SER A 35 20.644 6.537 7.739 1.00 0.00 H new ATOM 480 N GLY A 36 22.479 2.847 4.230 1.00 0.00 N ATOM 481 CA GLY A 36 22.396 1.480 3.750 1.00 0.00 C ATOM 482 C GLY A 36 21.225 1.265 2.811 1.00 0.00 C ATOM 483 O GLY A 36 21.056 2.002 1.840 1.00 0.00 O ATOM 0 H GLY A 36 23.427 3.212 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 36 23.322 1.222 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 36 22.304 0.804 4.601 1.00 0.00 H new ATOM 487 N ALA A 37 20.415 0.252 3.100 1.00 0.00 N ATOM 488 CA ALA A 37 19.254 -0.057 2.275 1.00 0.00 C ATOM 489 C ALA A 37 17.964 0.042 3.083 1.00 0.00 C ATOM 490 O ALA A 37 17.976 -0.081 4.308 1.00 0.00 O ATOM 491 CB ALA A 37 19.393 -1.446 1.668 1.00 0.00 C ATOM 0 H ALA A 37 20.542 -0.369 3.899 1.00 0.00 H new ATOM 0 HA ALA A 37 19.205 0.677 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.519 -1.664 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.290 -1.485 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.470 -2.185 2.465 1.00 0.00 H new ATOM 497 N VAL A 38 16.853 0.267 2.389 1.00 0.00 N ATOM 498 CA VAL A 38 15.554 0.382 3.042 1.00 0.00 C ATOM 499 C VAL A 38 15.088 -0.965 3.580 1.00 0.00 C ATOM 500 O VAL A 38 15.236 -1.995 2.921 1.00 0.00 O ATOM 501 CB VAL A 38 14.488 0.934 2.076 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.151 1.081 2.785 1.00 0.00 C ATOM 503 CG2 VAL A 38 14.938 2.264 1.490 1.00 0.00 C ATOM 0 H VAL A 38 16.826 0.373 1.375 1.00 0.00 H new ATOM 0 HA VAL A 38 15.677 1.078 3.872 1.00 0.00 H new ATOM 0 HB VAL A 38 14.363 0.226 1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.410 1.472 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.825 0.108 3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.258 1.769 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.173 2.639 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.092 2.983 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.871 2.124 0.945 1.00 0.00 H new ATOM 513 N LEU A 39 14.522 -0.952 4.782 1.00 0.00 N ATOM 514 CA LEU A 39 14.032 -2.174 5.411 1.00 0.00 C ATOM 515 C LEU A 39 12.623 -2.506 4.930 1.00 0.00 C ATOM 516 O LEU A 39 12.082 -1.835 4.051 1.00 0.00 O ATOM 517 CB LEU A 39 14.043 -2.028 6.933 1.00 0.00 C ATOM 518 CG LEU A 39 15.395 -1.694 7.566 1.00 0.00 C ATOM 519 CD1 LEU A 39 15.201 -1.025 8.917 1.00 0.00 C ATOM 520 CD2 LEU A 39 16.242 -2.950 7.707 1.00 0.00 C ATOM 0 H LEU A 39 14.391 -0.109 5.341 1.00 0.00 H new ATOM 0 HA LEU A 39 14.695 -2.991 5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.333 -1.248 7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 39 13.680 -2.958 7.370 1.00 0.00 H new ATOM 0 HG LEU A 39 15.919 -0.998 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 39 16.174 -0.795 9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.634 -0.103 8.788 1.00 0.00 H new ATOM 0 HD13 LEU A 39 14.656 -1.697 9.581 1.00 0.00 H new ATOM 0 HD21 LEU A 39 17.200 -2.694 8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 39 15.723 -3.670 8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 39 16.410 -3.388 6.723 1.00 0.00 H new ATOM 532 N ASP A 40 12.034 -3.543 5.515 1.00 0.00 N ATOM 533 CA ASP A 40 10.686 -3.962 5.149 1.00 0.00 C ATOM 534 C ASP A 40 9.760 -2.758 5.015 1.00 0.00 C ATOM 535 O ASP A 40 9.995 -1.711 5.619 1.00 0.00 O ATOM 536 CB ASP A 40 10.131 -4.934 6.192 1.00 0.00 C ATOM 537 CG ASP A 40 10.492 -4.533 7.608 1.00 0.00 C ATOM 538 OD1 ASP A 40 10.251 -3.363 7.974 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.016 -5.388 8.351 1.00 0.00 O ATOM 0 H ASP A 40 12.468 -4.109 6.244 1.00 0.00 H new ATOM 0 HA ASP A 40 10.738 -4.466 4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.046 -4.983 6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.514 -5.935 5.992 1.00 0.00 H new ATOM 544 N TYR A 41 8.707 -2.913 4.220 1.00 0.00 N ATOM 545 CA TYR A 41 7.748 -1.837 4.003 1.00 0.00 C ATOM 546 C TYR A 41 6.400 -2.174 4.633 1.00 0.00 C ATOM 547 O TYR A 41 6.165 -3.306 5.052 1.00 0.00 O ATOM 548 CB TYR A 41 7.572 -1.575 2.506 1.00 0.00 C ATOM 549 CG TYR A 41 8.874 -1.326 1.778 1.00 0.00 C ATOM 550 CD1 TYR A 41 9.805 -2.343 1.612 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.173 -0.073 1.258 1.00 0.00 C ATOM 552 CE1 TYR A 41 10.996 -2.120 0.948 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.360 0.159 0.592 1.00 0.00 C ATOM 554 CZ TYR A 41 11.269 -0.867 0.440 1.00 0.00 C ATOM 555 OH TYR A 41 12.454 -0.640 -0.222 1.00 0.00 O ATOM 0 H TYR A 41 8.496 -3.774 3.715 1.00 0.00 H new ATOM 0 HA TYR A 41 8.137 -0.937 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.070 -2.429 2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.919 -0.713 2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.594 -3.325 2.009 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.465 0.734 1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.709 -2.922 0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.576 1.139 0.192 1.00 0.00 H new ATOM 0 HH TYR A 41 12.490 0.294 -0.518 1.00 0.00 H new ATOM 565 N GLU A 42 5.518 -1.181 4.695 1.00 0.00 N ATOM 566 CA GLU A 42 4.193 -1.372 5.274 1.00 0.00 C ATOM 567 C GLU A 42 3.120 -0.729 4.400 1.00 0.00 C ATOM 568 O GLU A 42 3.169 0.469 4.118 1.00 0.00 O ATOM 569 CB GLU A 42 4.139 -0.781 6.685 1.00 0.00 C ATOM 570 CG GLU A 42 3.084 -1.421 7.572 1.00 0.00 C ATOM 571 CD GLU A 42 1.730 -0.751 7.443 1.00 0.00 C ATOM 572 OE1 GLU A 42 1.610 0.427 7.839 1.00 0.00 O ATOM 573 OE2 GLU A 42 0.790 -1.406 6.946 1.00 0.00 O ATOM 0 H GLU A 42 5.697 -0.237 4.352 1.00 0.00 H new ATOM 0 HA GLU A 42 3.999 -2.443 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.116 -0.895 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.942 0.289 6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.989 -2.476 7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.411 -1.374 8.611 1.00 0.00 H new ATOM 580 N VAL A 43 2.151 -1.533 3.975 1.00 0.00 N ATOM 581 CA VAL A 43 1.065 -1.044 3.134 1.00 0.00 C ATOM 582 C VAL A 43 -0.213 -0.855 3.942 1.00 0.00 C ATOM 583 O VAL A 43 -0.741 -1.804 4.523 1.00 0.00 O ATOM 584 CB VAL A 43 0.783 -2.007 1.965 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.537 -1.660 1.294 1.00 0.00 C ATOM 586 CG2 VAL A 43 1.926 -1.976 0.962 1.00 0.00 C ATOM 0 H VAL A 43 2.096 -2.526 4.199 1.00 0.00 H new ATOM 0 HA VAL A 43 1.384 -0.082 2.733 1.00 0.00 H new ATOM 0 HB VAL A 43 0.706 -3.020 2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.719 -2.351 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.346 -1.739 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.493 -0.641 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.710 -2.662 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.038 -0.965 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.850 -2.278 1.454 1.00 0.00 H new ATOM 596 N LYS A 44 -0.708 0.378 3.976 1.00 0.00 N ATOM 597 CA LYS A 44 -1.927 0.693 4.711 1.00 0.00 C ATOM 598 C LYS A 44 -3.073 1.012 3.756 1.00 0.00 C ATOM 599 O LYS A 44 -3.017 1.990 3.010 1.00 0.00 O ATOM 600 CB LYS A 44 -1.688 1.878 5.651 1.00 0.00 C ATOM 601 CG LYS A 44 -2.838 2.136 6.609 1.00 0.00 C ATOM 602 CD LYS A 44 -2.361 2.813 7.883 1.00 0.00 C ATOM 603 CE LYS A 44 -2.305 4.325 7.723 1.00 0.00 C ATOM 604 NZ LYS A 44 -3.621 4.962 8.008 1.00 0.00 N ATOM 0 H LYS A 44 -0.283 1.175 3.503 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.202 -0.182 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.780 1.697 6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.514 2.774 5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.586 2.762 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.325 1.193 6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.030 2.557 8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.373 2.437 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.551 4.734 8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.994 4.572 6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.541 5.992 7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.336 4.591 7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.906 4.748 8.985 1.00 0.00 H new ATOM 618 N TYR A 45 -4.109 0.182 3.784 1.00 0.00 N ATOM 619 CA TYR A 45 -5.267 0.375 2.920 1.00 0.00 C ATOM 620 C TYR A 45 -6.560 0.366 3.730 1.00 0.00 C ATOM 621 O TYR A 45 -6.784 -0.522 4.554 1.00 0.00 O ATOM 622 CB TYR A 45 -5.316 -0.715 1.848 1.00 0.00 C ATOM 623 CG TYR A 45 -5.512 -2.106 2.407 1.00 0.00 C ATOM 624 CD1 TYR A 45 -4.522 -2.717 3.166 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.688 -2.810 2.176 1.00 0.00 C ATOM 626 CE1 TYR A 45 -4.696 -3.988 3.678 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.871 -4.081 2.685 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.872 -4.666 3.435 1.00 0.00 C ATOM 629 OH TYR A 45 -6.050 -5.931 3.945 1.00 0.00 O ATOM 0 H TYR A 45 -4.171 -0.632 4.396 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.170 1.347 2.437 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.127 -0.494 1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.390 -0.690 1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.600 -2.189 3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.472 -2.356 1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.915 -4.448 4.265 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.791 -4.614 2.497 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.932 -6.268 3.683 1.00 0.00 H new ATOM 639 N HIS A 46 -7.408 1.360 3.490 1.00 0.00 N ATOM 640 CA HIS A 46 -8.680 1.467 4.196 1.00 0.00 C ATOM 641 C HIS A 46 -9.779 1.964 3.262 1.00 0.00 C ATOM 642 O HIS A 46 -9.542 2.817 2.407 1.00 0.00 O ATOM 643 CB HIS A 46 -8.546 2.411 5.392 1.00 0.00 C ATOM 644 CG HIS A 46 -8.712 3.856 5.036 1.00 0.00 C ATOM 645 ND1 HIS A 46 -7.678 4.641 4.571 1.00 0.00 N ATOM 646 CD2 HIS A 46 -9.802 4.658 5.077 1.00 0.00 C ATOM 647 CE1 HIS A 46 -8.124 5.864 4.344 1.00 0.00 C ATOM 648 NE2 HIS A 46 -9.410 5.901 4.642 1.00 0.00 N ATOM 0 H HIS A 46 -7.238 2.103 2.812 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.953 0.475 4.555 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.290 2.142 6.142 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.567 2.268 5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -10.795 4.374 5.393 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.537 6.693 3.977 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.014 6.719 4.562 1.00 0.00 H new ATOM 657 N GLU A 47 -10.982 1.423 3.431 1.00 0.00 N ATOM 658 CA GLU A 47 -12.117 1.811 2.602 1.00 0.00 C ATOM 659 C GLU A 47 -12.316 3.324 2.625 1.00 0.00 C ATOM 660 O GLU A 47 -12.222 3.958 3.676 1.00 0.00 O ATOM 661 CB GLU A 47 -13.390 1.111 3.081 1.00 0.00 C ATOM 662 CG GLU A 47 -14.415 0.893 1.981 1.00 0.00 C ATOM 663 CD GLU A 47 -15.825 0.744 2.519 1.00 0.00 C ATOM 664 OE1 GLU A 47 -16.034 -0.104 3.411 1.00 0.00 O ATOM 665 OE2 GLU A 47 -16.720 1.476 2.047 1.00 0.00 O ATOM 0 H GLU A 47 -11.195 0.715 4.134 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.907 1.505 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.123 0.147 3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.843 1.703 3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.382 1.733 1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.150 0.000 1.414 1.00 0.00 H new ATOM 672 N LYS A 48 -12.592 3.897 1.458 1.00 0.00 N ATOM 673 CA LYS A 48 -12.805 5.334 1.342 1.00 0.00 C ATOM 674 C LYS A 48 -13.833 5.816 2.362 1.00 0.00 C ATOM 675 O LYS A 48 -13.663 6.865 2.981 1.00 0.00 O ATOM 676 CB LYS A 48 -13.269 5.689 -0.072 1.00 0.00 C ATOM 677 CG LYS A 48 -13.674 7.144 -0.232 1.00 0.00 C ATOM 678 CD LYS A 48 -12.485 8.017 -0.598 1.00 0.00 C ATOM 679 CE LYS A 48 -12.930 9.331 -1.223 1.00 0.00 C ATOM 680 NZ LYS A 48 -13.312 9.164 -2.653 1.00 0.00 N ATOM 0 H LYS A 48 -12.673 3.387 0.578 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.857 5.834 1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.467 5.464 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.114 5.054 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.439 7.227 -1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.118 7.503 0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.892 8.219 0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.840 7.482 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.777 9.730 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.125 10.061 -1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.609 10.081 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.496 8.807 -3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.098 8.486 -2.726 1.00 0.00 H new ATOM 694 N GLY A 49 -14.899 5.040 2.532 1.00 0.00 N ATOM 695 CA GLY A 49 -15.937 5.404 3.479 1.00 0.00 C ATOM 696 C GLY A 49 -15.787 4.689 4.807 1.00 0.00 C ATOM 697 O GLY A 49 -16.606 3.841 5.160 1.00 0.00 O ATOM 0 H GLY A 49 -15.062 4.166 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.912 6.481 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.912 5.170 3.052 1.00 0.00 H new ATOM 701 N ALA A 50 -14.736 5.031 5.545 1.00 0.00 N ATOM 702 CA ALA A 50 -14.481 4.417 6.843 1.00 0.00 C ATOM 703 C ALA A 50 -13.292 5.073 7.536 1.00 0.00 C ATOM 704 O ALA A 50 -12.310 5.438 6.891 1.00 0.00 O ATOM 705 CB ALA A 50 -14.243 2.923 6.681 1.00 0.00 C ATOM 0 H ALA A 50 -14.047 5.730 5.266 1.00 0.00 H new ATOM 0 HA ALA A 50 -15.360 4.568 7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.054 2.477 7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.124 2.461 6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.381 2.760 6.034 1.00 0.00 H new ATOM 711 N GLU A 51 -13.388 5.219 8.854 1.00 0.00 N ATOM 712 CA GLU A 51 -12.320 5.832 9.634 1.00 0.00 C ATOM 713 C GLU A 51 -12.113 5.090 10.951 1.00 0.00 C ATOM 714 O GLU A 51 -12.968 4.318 11.382 1.00 0.00 O ATOM 715 CB GLU A 51 -12.639 7.303 9.909 1.00 0.00 C ATOM 716 CG GLU A 51 -12.740 8.150 8.652 1.00 0.00 C ATOM 717 CD GLU A 51 -11.382 8.556 8.112 1.00 0.00 C ATOM 718 OE1 GLU A 51 -10.391 7.856 8.408 1.00 0.00 O ATOM 719 OE2 GLU A 51 -11.311 9.574 7.392 1.00 0.00 O ATOM 0 H GLU A 51 -14.194 4.921 9.403 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.399 5.770 9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.580 7.366 10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.866 7.719 10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.280 7.594 7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.324 9.045 8.867 1.00 0.00 H new ATOM 726 N GLY A 52 -10.969 5.330 11.586 1.00 0.00 N ATOM 727 CA GLY A 52 -10.669 4.677 12.847 1.00 0.00 C ATOM 728 C GLY A 52 -9.287 4.054 12.863 1.00 0.00 C ATOM 729 O GLY A 52 -8.711 3.743 11.820 1.00 0.00 O ATOM 0 H GLY A 52 -10.245 5.965 11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.746 5.403 13.656 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.414 3.905 13.039 1.00 0.00 H new ATOM 733 N PRO A 53 -8.733 3.865 14.069 1.00 0.00 N ATOM 734 CA PRO A 53 -7.402 3.275 14.246 1.00 0.00 C ATOM 735 C PRO A 53 -7.374 1.792 13.892 1.00 0.00 C ATOM 736 O PRO A 53 -6.322 1.242 13.566 1.00 0.00 O ATOM 737 CB PRO A 53 -7.121 3.475 15.737 1.00 0.00 C ATOM 738 CG PRO A 53 -8.468 3.556 16.369 1.00 0.00 C ATOM 739 CD PRO A 53 -9.363 4.212 15.354 1.00 0.00 C ATOM 0 HA PRO A 53 -6.661 3.737 13.593 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.541 2.647 16.145 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.546 4.384 15.913 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.836 2.564 16.631 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.432 4.137 17.291 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.384 3.835 15.416 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.412 5.291 15.499 1.00 0.00 H new ATOM 747 N SER A 54 -8.536 1.151 13.958 1.00 0.00 N ATOM 748 CA SER A 54 -8.644 -0.270 13.647 1.00 0.00 C ATOM 749 C SER A 54 -9.275 -0.480 12.274 1.00 0.00 C ATOM 750 O SER A 54 -8.903 -1.396 11.542 1.00 0.00 O ATOM 751 CB SER A 54 -9.471 -0.986 14.716 1.00 0.00 C ATOM 752 OG SER A 54 -9.381 -2.393 14.574 1.00 0.00 O ATOM 0 H SER A 54 -9.416 1.593 14.224 1.00 0.00 H new ATOM 0 HA SER A 54 -7.639 -0.691 13.633 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.121 -0.694 15.706 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.513 -0.676 14.642 1.00 0.00 H new ATOM 0 HG SER A 54 -9.917 -2.827 15.270 1.00 0.00 H new ATOM 758 N SER A 55 -10.232 0.377 11.933 1.00 0.00 N ATOM 759 CA SER A 55 -10.919 0.284 10.650 1.00 0.00 C ATOM 760 C SER A 55 -9.935 -0.038 9.529 1.00 0.00 C ATOM 761 O SER A 55 -10.135 -0.980 8.763 1.00 0.00 O ATOM 762 CB SER A 55 -11.649 1.593 10.342 1.00 0.00 C ATOM 763 OG SER A 55 -11.814 1.769 8.946 1.00 0.00 O ATOM 0 H SER A 55 -10.549 1.143 12.527 1.00 0.00 H new ATOM 0 HA SER A 55 -11.648 -0.524 10.714 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.624 1.593 10.829 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.087 2.432 10.753 1.00 0.00 H new ATOM 0 HG SER A 55 -12.137 2.677 8.767 1.00 0.00 H new ATOM 769 N VAL A 56 -8.870 0.754 9.439 1.00 0.00 N ATOM 770 CA VAL A 56 -7.853 0.554 8.414 1.00 0.00 C ATOM 771 C VAL A 56 -7.022 -0.692 8.699 1.00 0.00 C ATOM 772 O VAL A 56 -6.770 -1.031 9.855 1.00 0.00 O ATOM 773 CB VAL A 56 -6.915 1.771 8.309 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.504 2.249 9.693 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.693 1.430 7.469 1.00 0.00 C ATOM 0 H VAL A 56 -8.690 1.540 10.064 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.379 0.427 7.468 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.452 2.581 7.816 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.841 3.109 9.599 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.391 2.534 10.258 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.984 1.446 10.216 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.041 2.301 7.405 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.152 0.605 7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.010 1.140 6.467 1.00 0.00 H new ATOM 785 N ARG A 57 -6.599 -1.370 7.637 1.00 0.00 N ATOM 786 CA ARG A 57 -5.797 -2.580 7.774 1.00 0.00 C ATOM 787 C ARG A 57 -4.309 -2.262 7.648 1.00 0.00 C ATOM 788 O ARG A 57 -3.929 -1.140 7.312 1.00 0.00 O ATOM 789 CB ARG A 57 -6.201 -3.608 6.715 1.00 0.00 C ATOM 790 CG ARG A 57 -7.555 -4.248 6.974 1.00 0.00 C ATOM 791 CD ARG A 57 -7.503 -5.202 8.157 1.00 0.00 C ATOM 792 NE ARG A 57 -8.782 -5.875 8.374 1.00 0.00 N ATOM 793 CZ ARG A 57 -8.977 -6.798 9.308 1.00 0.00 C ATOM 794 NH1 ARG A 57 -7.982 -7.157 10.109 1.00 0.00 N ATOM 795 NH2 ARG A 57 -10.169 -7.365 9.444 1.00 0.00 N ATOM 0 H ARG A 57 -6.798 -1.102 6.673 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.980 -2.998 8.764 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.218 -3.124 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.442 -4.389 6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.296 -3.471 7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.880 -4.787 6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.725 -5.947 7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.226 -4.651 9.056 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.568 -5.622 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.064 -6.723 10.008 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.135 -7.866 10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.937 -7.092 8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.318 -8.074 10.162 1.00 0.00 H new ATOM 809 N PHE A 58 -3.472 -3.258 7.920 1.00 0.00 N ATOM 810 CA PHE A 58 -2.026 -3.085 7.838 1.00 0.00 C ATOM 811 C PHE A 58 -1.360 -4.334 7.268 1.00 0.00 C ATOM 812 O PHE A 58 -1.638 -5.453 7.702 1.00 0.00 O ATOM 813 CB PHE A 58 -1.450 -2.772 9.221 1.00 0.00 C ATOM 814 CG PHE A 58 -1.510 -1.315 9.580 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.728 -0.686 9.779 1.00 0.00 C ATOM 816 CD2 PHE A 58 -0.347 -0.574 9.718 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.785 0.655 10.108 1.00 0.00 C ATOM 818 CE2 PHE A 58 -0.398 0.768 10.047 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.619 1.382 10.244 1.00 0.00 C ATOM 0 H PHE A 58 -3.770 -4.193 8.199 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.822 -2.249 7.169 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.995 -3.345 9.971 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.413 -3.104 9.257 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.643 -1.250 9.676 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.610 -1.050 9.567 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.741 1.134 10.259 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.515 1.335 10.150 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.662 2.429 10.504 1.00 0.00 H new ATOM 829 N LEU A 59 -0.481 -4.134 6.293 1.00 0.00 N ATOM 830 CA LEU A 59 0.226 -5.244 5.661 1.00 0.00 C ATOM 831 C LEU A 59 1.732 -5.001 5.662 1.00 0.00 C ATOM 832 O LEU A 59 2.195 -3.905 5.350 1.00 0.00 O ATOM 833 CB LEU A 59 -0.270 -5.439 4.227 1.00 0.00 C ATOM 834 CG LEU A 59 0.568 -6.368 3.348 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.129 -7.813 3.528 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.466 -5.956 1.887 1.00 0.00 C ATOM 0 H LEU A 59 -0.240 -3.215 5.922 1.00 0.00 H new ATOM 0 HA LEU A 59 0.022 -6.148 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.288 -5.828 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.320 -4.463 3.745 1.00 0.00 H new ATOM 0 HG LEU A 59 1.610 -6.285 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.737 -8.459 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.255 -8.104 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.920 -7.912 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.069 -6.628 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.574 -6.009 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.830 -4.935 1.771 1.00 0.00 H new ATOM 848 N LYS A 60 2.491 -6.033 6.014 1.00 0.00 N ATOM 849 CA LYS A 60 3.946 -5.935 6.052 1.00 0.00 C ATOM 850 C LYS A 60 4.581 -6.867 5.025 1.00 0.00 C ATOM 851 O LYS A 60 4.184 -8.025 4.892 1.00 0.00 O ATOM 852 CB LYS A 60 4.463 -6.273 7.452 1.00 0.00 C ATOM 853 CG LYS A 60 4.406 -5.105 8.421 1.00 0.00 C ATOM 854 CD LYS A 60 4.673 -5.550 9.849 1.00 0.00 C ATOM 855 CE LYS A 60 4.385 -4.436 10.843 1.00 0.00 C ATOM 856 NZ LYS A 60 4.827 -4.793 12.220 1.00 0.00 N ATOM 0 H LYS A 60 2.123 -6.947 6.277 1.00 0.00 H new ATOM 0 HA LYS A 60 4.223 -4.910 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.877 -7.099 7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.493 -6.620 7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.140 -4.354 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.426 -4.632 8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.054 -6.417 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.712 -5.865 9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.891 -3.525 10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.316 -4.222 10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.613 -4.008 12.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.326 -5.648 12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.851 -4.973 12.220 1.00 0.00 H new ATOM 870 N THR A 61 5.572 -6.355 4.301 1.00 0.00 N ATOM 871 CA THR A 61 6.262 -7.141 3.287 1.00 0.00 C ATOM 872 C THR A 61 7.724 -6.723 3.169 1.00 0.00 C ATOM 873 O THR A 61 8.028 -5.558 2.915 1.00 0.00 O ATOM 874 CB THR A 61 5.587 -6.998 1.910 1.00 0.00 C ATOM 875 OG1 THR A 61 6.274 -7.800 0.942 1.00 0.00 O ATOM 876 CG2 THR A 61 5.578 -5.546 1.458 1.00 0.00 C ATOM 0 H THR A 61 5.914 -5.399 4.399 1.00 0.00 H new ATOM 0 HA THR A 61 6.208 -8.183 3.603 1.00 0.00 H new ATOM 0 HB THR A 61 4.556 -7.340 1.999 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.963 -7.566 0.043 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.096 -5.471 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.029 -4.943 2.181 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.603 -5.181 1.385 1.00 0.00 H new ATOM 884 N SER A 62 8.625 -7.683 3.353 1.00 0.00 N ATOM 885 CA SER A 62 10.056 -7.414 3.270 1.00 0.00 C ATOM 886 C SER A 62 10.432 -6.898 1.884 1.00 0.00 C ATOM 887 O SER A 62 11.394 -6.145 1.731 1.00 0.00 O ATOM 888 CB SER A 62 10.854 -8.680 3.589 1.00 0.00 C ATOM 889 OG SER A 62 10.742 -9.630 2.544 1.00 0.00 O ATOM 0 H SER A 62 8.390 -8.654 3.560 1.00 0.00 H new ATOM 0 HA SER A 62 10.299 -6.645 4.004 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.903 -8.424 3.741 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.494 -9.116 4.521 1.00 0.00 H new ATOM 0 HG SER A 62 11.375 -9.407 1.830 1.00 0.00 H new ATOM 895 N GLU A 63 9.666 -7.309 0.879 1.00 0.00 N ATOM 896 CA GLU A 63 9.920 -6.889 -0.495 1.00 0.00 C ATOM 897 C GLU A 63 9.240 -5.555 -0.790 1.00 0.00 C ATOM 898 O GLU A 63 8.476 -5.042 0.026 1.00 0.00 O ATOM 899 CB GLU A 63 9.426 -7.954 -1.476 1.00 0.00 C ATOM 900 CG GLU A 63 10.141 -9.287 -1.339 1.00 0.00 C ATOM 901 CD GLU A 63 11.642 -9.131 -1.190 1.00 0.00 C ATOM 902 OE1 GLU A 63 12.272 -8.549 -2.098 1.00 0.00 O ATOM 903 OE2 GLU A 63 12.187 -9.591 -0.165 1.00 0.00 O ATOM 0 H GLU A 63 8.865 -7.931 0.989 1.00 0.00 H new ATOM 0 HA GLU A 63 10.996 -6.764 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.357 -8.107 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.554 -7.586 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.747 -9.819 -0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.928 -9.901 -2.214 1.00 0.00 H new ATOM 910 N ASN A 64 9.527 -4.999 -1.963 1.00 0.00 N ATOM 911 CA ASN A 64 8.945 -3.724 -2.366 1.00 0.00 C ATOM 912 C ASN A 64 7.642 -3.938 -3.131 1.00 0.00 C ATOM 913 O ASN A 64 7.182 -3.054 -3.854 1.00 0.00 O ATOM 914 CB ASN A 64 9.934 -2.939 -3.230 1.00 0.00 C ATOM 915 CG ASN A 64 10.021 -3.480 -4.644 1.00 0.00 C ATOM 916 OD1 ASN A 64 9.839 -4.675 -4.876 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.302 -2.599 -5.598 1.00 0.00 N ATOM 0 H ASN A 64 10.158 -5.411 -2.650 1.00 0.00 H new ATOM 0 HA ASN A 64 8.726 -3.152 -1.465 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.633 -1.892 -3.262 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.921 -2.973 -2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.374 -2.904 -6.569 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.445 -1.618 -5.360 1.00 0.00 H new ATOM 924 N ARG A 65 7.052 -5.117 -2.965 1.00 0.00 N ATOM 925 CA ARG A 65 5.803 -5.448 -3.640 1.00 0.00 C ATOM 926 C ARG A 65 4.919 -6.319 -2.752 1.00 0.00 C ATOM 927 O ARG A 65 5.416 -7.117 -1.957 1.00 0.00 O ATOM 928 CB ARG A 65 6.086 -6.168 -4.959 1.00 0.00 C ATOM 929 CG ARG A 65 6.769 -7.515 -4.783 1.00 0.00 C ATOM 930 CD ARG A 65 7.141 -8.130 -6.123 1.00 0.00 C ATOM 931 NE ARG A 65 6.014 -8.828 -6.737 1.00 0.00 N ATOM 932 CZ ARG A 65 5.996 -9.221 -8.006 1.00 0.00 C ATOM 933 NH1 ARG A 65 7.039 -8.986 -8.791 1.00 0.00 N ATOM 934 NH2 ARG A 65 4.934 -9.850 -8.492 1.00 0.00 N ATOM 0 H ARG A 65 7.419 -5.859 -2.369 1.00 0.00 H new ATOM 0 HA ARG A 65 5.275 -4.518 -3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.147 -6.313 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.712 -5.531 -5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.666 -7.393 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.108 -8.192 -4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.493 -7.348 -6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.967 -8.827 -5.985 1.00 0.00 H new ATOM 0 HE ARG A 65 5.196 -9.024 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.857 -8.503 -8.421 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.023 -9.289 -9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.130 -10.032 -7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.921 -10.151 -9.466 1.00 0.00 H new ATOM 948 N ALA A 66 3.608 -6.160 -2.892 1.00 0.00 N ATOM 949 CA ALA A 66 2.655 -6.932 -2.105 1.00 0.00 C ATOM 950 C ALA A 66 1.341 -7.116 -2.857 1.00 0.00 C ATOM 951 O ALA A 66 1.159 -6.573 -3.946 1.00 0.00 O ATOM 952 CB ALA A 66 2.408 -6.257 -0.764 1.00 0.00 C ATOM 0 H ALA A 66 3.181 -5.502 -3.544 1.00 0.00 H new ATOM 0 HA ALA A 66 3.083 -7.919 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.694 -6.845 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.347 -6.185 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.006 -5.257 -0.928 1.00 0.00 H new ATOM 958 N GLU A 67 0.430 -7.884 -2.268 1.00 0.00 N ATOM 959 CA GLU A 67 -0.866 -8.139 -2.885 1.00 0.00 C ATOM 960 C GLU A 67 -1.981 -8.100 -1.844 1.00 0.00 C ATOM 961 O GLU A 67 -1.878 -8.717 -0.783 1.00 0.00 O ATOM 962 CB GLU A 67 -0.861 -9.496 -3.592 1.00 0.00 C ATOM 963 CG GLU A 67 -2.128 -9.774 -4.384 1.00 0.00 C ATOM 964 CD GLU A 67 -2.013 -11.013 -5.252 1.00 0.00 C ATOM 965 OE1 GLU A 67 -1.056 -11.092 -6.050 1.00 0.00 O ATOM 966 OE2 GLU A 67 -2.881 -11.902 -5.132 1.00 0.00 O ATOM 0 H GLU A 67 0.565 -8.340 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.050 -7.355 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.004 -9.543 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.727 -10.283 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.964 -9.894 -3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.355 -8.914 -5.014 1.00 0.00 H new ATOM 973 N LEU A 68 -3.047 -7.370 -2.154 1.00 0.00 N ATOM 974 CA LEU A 68 -4.182 -7.249 -1.246 1.00 0.00 C ATOM 975 C LEU A 68 -5.268 -8.262 -1.594 1.00 0.00 C ATOM 976 O LEU A 68 -5.619 -8.435 -2.762 1.00 0.00 O ATOM 977 CB LEU A 68 -4.755 -5.831 -1.300 1.00 0.00 C ATOM 978 CG LEU A 68 -3.761 -4.696 -1.051 1.00 0.00 C ATOM 979 CD1 LEU A 68 -4.478 -3.356 -1.024 1.00 0.00 C ATOM 980 CD2 LEU A 68 -3.005 -4.925 0.250 1.00 0.00 C ATOM 0 H LEU A 68 -3.149 -6.853 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.830 -7.454 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.209 -5.681 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.554 -5.755 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.041 -4.683 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.755 -2.560 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.973 -3.189 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.221 -3.357 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.302 -4.108 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.711 -4.965 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.459 -5.867 0.193 1.00 0.00 H new ATOM 992 N ARG A 69 -5.799 -8.927 -0.573 1.00 0.00 N ATOM 993 CA ARG A 69 -6.846 -9.922 -0.771 1.00 0.00 C ATOM 994 C ARG A 69 -8.162 -9.456 -0.155 1.00 0.00 C ATOM 995 O ARG A 69 -8.174 -8.630 0.757 1.00 0.00 O ATOM 996 CB ARG A 69 -6.430 -11.261 -0.159 1.00 0.00 C ATOM 997 CG ARG A 69 -5.098 -11.779 -0.677 1.00 0.00 C ATOM 998 CD ARG A 69 -3.932 -11.209 0.116 1.00 0.00 C ATOM 999 NE ARG A 69 -3.821 -11.817 1.439 1.00 0.00 N ATOM 1000 CZ ARG A 69 -2.754 -11.688 2.220 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -1.712 -10.976 1.813 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -2.727 -12.272 3.411 1.00 0.00 N ATOM 0 H ARG A 69 -5.521 -8.795 0.400 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.992 -10.051 -1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.372 -11.154 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.203 -12.001 -0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.082 -12.867 -0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.988 -11.515 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.006 -11.369 -0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.058 -10.131 0.222 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.606 -12.371 1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.728 -10.525 0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.894 -10.879 2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.526 -12.821 3.728 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.907 -12.172 4.010 1.00 0.00 H new ATOM 1016 N GLY A 70 -9.269 -9.992 -0.660 1.00 0.00 N ATOM 1017 CA GLY A 70 -10.574 -9.619 -0.147 1.00 0.00 C ATOM 1018 C GLY A 70 -10.904 -8.162 -0.405 1.00 0.00 C ATOM 1019 O GLY A 70 -10.509 -7.283 0.362 1.00 0.00 O ATOM 0 H GLY A 70 -9.285 -10.678 -1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.336 -10.248 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.608 -9.812 0.925 1.00 0.00 H new ATOM 1023 N LEU A 71 -11.628 -7.904 -1.489 1.00 0.00 N ATOM 1024 CA LEU A 71 -12.009 -6.542 -1.847 1.00 0.00 C ATOM 1025 C LEU A 71 -13.405 -6.511 -2.460 1.00 0.00 C ATOM 1026 O LEU A 71 -14.017 -7.554 -2.693 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.996 -5.949 -2.828 1.00 0.00 C ATOM 1028 CG LEU A 71 -9.550 -5.873 -2.335 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -8.586 -5.852 -3.511 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -9.350 -4.646 -1.457 1.00 0.00 C ATOM 0 H LEU A 71 -11.963 -8.619 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.018 -5.942 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.016 -6.541 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.322 -4.943 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.343 -6.761 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.562 -5.798 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.711 -6.760 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.793 -4.983 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.316 -4.608 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.576 -3.747 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.015 -4.703 -0.595 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.904 -5.308 -2.723 1.00 0.00 N ATOM 1043 CA LYS A 72 -15.227 -5.139 -3.312 1.00 0.00 C ATOM 1044 C LYS A 72 -15.124 -4.868 -4.810 1.00 0.00 C ATOM 1045 O LYS A 72 -16.081 -4.410 -5.434 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.971 -3.992 -2.626 1.00 0.00 C ATOM 1047 CG LYS A 72 -16.392 -4.307 -1.200 1.00 0.00 C ATOM 1048 CD LYS A 72 -17.759 -4.969 -1.156 1.00 0.00 C ATOM 1049 CE LYS A 72 -18.383 -4.867 0.227 1.00 0.00 C ATOM 1050 NZ LYS A 72 -17.800 -5.858 1.173 1.00 0.00 N ATOM 0 H LYS A 72 -13.411 -4.434 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.784 -6.064 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.333 -3.108 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.856 -3.743 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.654 -4.963 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.413 -3.388 -0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.416 -4.499 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.666 -6.018 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.235 -3.861 0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.459 -5.025 0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.252 -5.756 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.963 -6.820 0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.778 -5.691 1.264 1.00 0.00 H new ATOM 1064 N ARG A 73 -13.959 -5.156 -5.380 1.00 0.00 N ATOM 1065 CA ARG A 73 -13.732 -4.943 -6.805 1.00 0.00 C ATOM 1066 C ARG A 73 -14.439 -3.679 -7.285 1.00 0.00 C ATOM 1067 O ARG A 73 -15.181 -3.704 -8.265 1.00 0.00 O ATOM 1068 CB ARG A 73 -14.223 -6.150 -7.606 1.00 0.00 C ATOM 1069 CG ARG A 73 -13.599 -6.259 -8.988 1.00 0.00 C ATOM 1070 CD ARG A 73 -14.251 -7.359 -9.810 1.00 0.00 C ATOM 1071 NE ARG A 73 -13.846 -7.309 -11.212 1.00 0.00 N ATOM 1072 CZ ARG A 73 -14.408 -8.043 -12.166 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -15.393 -8.879 -11.870 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -13.984 -7.941 -13.419 1.00 0.00 N ATOM 0 H ARG A 73 -13.157 -5.537 -4.878 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.660 -4.821 -6.963 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.006 -7.060 -7.046 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.306 -6.090 -7.710 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.698 -5.307 -9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.532 -6.460 -8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.986 -8.330 -9.391 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.335 -7.268 -9.743 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.090 -6.676 -11.473 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.721 -8.960 -10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.823 -9.441 -12.605 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.226 -7.299 -13.650 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.416 -8.505 -14.151 1.00 0.00 H new ATOM 1088 N GLY A 74 -14.201 -2.573 -6.586 1.00 0.00 N ATOM 1089 CA GLY A 74 -14.822 -1.314 -6.955 1.00 0.00 C ATOM 1090 C GLY A 74 -14.729 -0.276 -5.854 1.00 0.00 C ATOM 1091 O GLY A 74 -14.286 0.848 -6.088 1.00 0.00 O ATOM 0 H GLY A 74 -13.589 -2.527 -5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.345 -0.927 -7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.870 -1.487 -7.199 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.149 -0.653 -4.651 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.110 0.253 -3.510 1.00 0.00 C ATOM 1097 C ALA A 75 -13.760 0.954 -3.412 1.00 0.00 C ATOM 1098 O ALA A 75 -12.740 0.323 -3.132 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.409 -0.504 -2.224 1.00 0.00 C ATOM 0 H ALA A 75 -15.520 -1.580 -4.441 1.00 0.00 H new ATOM 0 HA ALA A 75 -15.876 1.015 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.376 0.185 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.400 -0.953 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.665 -1.287 -2.082 1.00 0.00 H new ATOM 1105 N SER A 76 -13.759 2.263 -3.643 1.00 0.00 N ATOM 1106 CA SER A 76 -12.532 3.050 -3.585 1.00 0.00 C ATOM 1107 C SER A 76 -11.677 2.634 -2.392 1.00 0.00 C ATOM 1108 O SER A 76 -12.140 2.635 -1.251 1.00 0.00 O ATOM 1109 CB SER A 76 -12.861 4.541 -3.496 1.00 0.00 C ATOM 1110 OG SER A 76 -13.602 4.968 -4.627 1.00 0.00 O ATOM 0 H SER A 76 -14.594 2.801 -3.872 1.00 0.00 H new ATOM 0 HA SER A 76 -11.966 2.864 -4.498 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.432 4.737 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.938 5.117 -3.423 1.00 0.00 H new ATOM 0 HG SER A 76 -12.998 5.387 -5.275 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.426 2.279 -2.664 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.506 1.859 -1.615 1.00 0.00 C ATOM 1118 C TYR A 77 -8.266 2.748 -1.589 1.00 0.00 C ATOM 1119 O TYR A 77 -7.503 2.797 -2.555 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.096 0.399 -1.821 1.00 0.00 C ATOM 1121 CG TYR A 77 -10.083 -0.593 -1.248 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -10.214 -0.757 0.126 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -10.882 -1.368 -2.079 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -11.114 -1.662 0.654 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.785 -2.275 -1.559 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.897 -2.419 -0.192 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.794 -3.323 0.329 1.00 0.00 O ATOM 0 H TYR A 77 -10.026 2.274 -3.602 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.019 1.954 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.981 0.210 -2.888 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.121 0.236 -1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.602 -0.167 0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.796 -1.260 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.204 -1.776 1.724 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.400 -2.868 -2.220 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.267 -3.773 -0.402 1.00 0.00 H new ATOM 1137 N LEU A 78 -8.071 3.448 -0.477 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.924 4.336 -0.323 1.00 0.00 C ATOM 1139 C LEU A 78 -5.710 3.572 0.195 1.00 0.00 C ATOM 1140 O LEU A 78 -5.627 3.246 1.379 1.00 0.00 O ATOM 1141 CB LEU A 78 -7.265 5.482 0.631 1.00 0.00 C ATOM 1142 CG LEU A 78 -8.337 6.460 0.149 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -7.818 7.288 -1.016 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -9.602 5.713 -0.246 1.00 0.00 C ATOM 0 H LEU A 78 -8.692 3.418 0.331 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.681 4.748 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.592 5.054 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.353 6.044 0.832 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.580 7.136 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.594 7.978 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.941 7.852 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.546 6.627 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.354 6.425 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.375 5.013 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.985 5.165 0.615 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.768 3.290 -0.700 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.556 2.568 -0.333 1.00 0.00 C ATOM 1158 C VAL A 79 -2.399 3.528 -0.079 1.00 0.00 C ATOM 1159 O VAL A 79 -2.271 4.551 -0.750 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.147 1.566 -1.429 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -2.100 0.596 -0.901 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.365 0.818 -1.948 1.00 0.00 C ATOM 0 H VAL A 79 -4.821 3.551 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.778 2.022 0.584 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.709 2.120 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.823 -0.105 -1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.218 1.151 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.508 0.046 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.058 0.114 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.834 0.274 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.077 1.529 -2.367 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.559 3.189 0.894 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.412 4.022 1.236 1.00 0.00 C ATOM 1174 C GLN A 80 0.801 3.164 1.576 1.00 0.00 C ATOM 1175 O GLN A 80 0.783 2.398 2.540 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.753 4.935 2.415 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.802 5.985 2.088 1.00 0.00 C ATOM 1178 CD GLN A 80 -2.636 6.371 3.294 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -2.233 7.211 4.099 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -3.808 5.760 3.424 1.00 0.00 N ATOM 0 H GLN A 80 -1.651 2.345 1.459 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.168 4.636 0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.108 4.325 3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.156 5.434 2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.310 6.873 1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.457 5.607 1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.103 5.070 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.413 5.981 4.215 1.00 0.00 H new ATOM 1189 N VAL A 81 1.856 3.296 0.778 1.00 0.00 N ATOM 1190 CA VAL A 81 3.080 2.533 0.995 1.00 0.00 C ATOM 1191 C VAL A 81 4.130 3.372 1.714 1.00 0.00 C ATOM 1192 O VAL A 81 4.425 4.496 1.309 1.00 0.00 O ATOM 1193 CB VAL A 81 3.667 2.025 -0.335 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.936 1.224 -0.087 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.640 1.191 -1.086 1.00 0.00 C ATOM 0 H VAL A 81 1.888 3.924 -0.025 1.00 0.00 H new ATOM 0 HA VAL A 81 2.815 1.678 1.617 1.00 0.00 H new ATOM 0 HB VAL A 81 3.924 2.887 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.337 0.873 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.674 1.856 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.708 0.368 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.071 0.840 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.351 0.335 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.761 1.800 -1.297 1.00 0.00 H new ATOM 1205 N ARG A 82 4.692 2.817 2.783 1.00 0.00 N ATOM 1206 CA ARG A 82 5.710 3.514 3.559 1.00 0.00 C ATOM 1207 C ARG A 82 7.010 2.716 3.593 1.00 0.00 C ATOM 1208 O ARG A 82 7.031 1.531 3.262 1.00 0.00 O ATOM 1209 CB ARG A 82 5.214 3.761 4.985 1.00 0.00 C ATOM 1210 CG ARG A 82 5.119 2.498 5.825 1.00 0.00 C ATOM 1211 CD ARG A 82 5.252 2.803 7.308 1.00 0.00 C ATOM 1212 NE ARG A 82 3.959 3.074 7.930 1.00 0.00 N ATOM 1213 CZ ARG A 82 3.814 3.765 9.055 1.00 0.00 C ATOM 1214 NH1 ARG A 82 4.878 4.253 9.679 1.00 0.00 N ATOM 1215 NH2 ARG A 82 2.604 3.970 9.559 1.00 0.00 N ATOM 0 H ARG A 82 4.459 1.887 3.131 1.00 0.00 H new ATOM 0 HA ARG A 82 5.905 4.472 3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.885 4.465 5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.233 4.233 4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.164 2.007 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.901 1.800 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.726 1.960 7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.907 3.664 7.444 1.00 0.00 H new ATOM 0 HE ARG A 82 3.121 2.713 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.810 4.098 9.295 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.764 4.783 10.543 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.783 3.597 9.082 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.495 4.501 10.423 1.00 0.00 H new ATOM 1229 N ALA A 83 8.092 3.374 3.995 1.00 0.00 N ATOM 1230 CA ALA A 83 9.396 2.725 4.074 1.00 0.00 C ATOM 1231 C ALA A 83 10.003 2.881 5.464 1.00 0.00 C ATOM 1232 O ALA A 83 9.795 3.893 6.133 1.00 0.00 O ATOM 1233 CB ALA A 83 10.333 3.295 3.019 1.00 0.00 C ATOM 0 H ALA A 83 8.092 4.356 4.271 1.00 0.00 H new ATOM 0 HA ALA A 83 9.258 1.661 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.303 2.802 3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.911 3.127 2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.458 4.365 3.183 1.00 0.00 H new ATOM 1239 N ARG A 84 10.755 1.872 5.892 1.00 0.00 N ATOM 1240 CA ARG A 84 11.391 1.897 7.203 1.00 0.00 C ATOM 1241 C ARG A 84 12.906 1.765 7.075 1.00 0.00 C ATOM 1242 O ARG A 84 13.405 0.988 6.261 1.00 0.00 O ATOM 1243 CB ARG A 84 10.843 0.770 8.081 1.00 0.00 C ATOM 1244 CG ARG A 84 11.583 0.610 9.399 1.00 0.00 C ATOM 1245 CD ARG A 84 11.021 1.532 10.469 1.00 0.00 C ATOM 1246 NE ARG A 84 11.828 1.513 11.687 1.00 0.00 N ATOM 1247 CZ ARG A 84 11.375 1.900 12.874 1.00 0.00 C ATOM 1248 NH1 ARG A 84 10.129 2.334 13.003 1.00 0.00 N ATOM 1249 NH2 ARG A 84 12.170 1.854 13.936 1.00 0.00 N ATOM 0 H ARG A 84 10.938 1.028 5.350 1.00 0.00 H new ATOM 0 HA ARG A 84 11.165 2.855 7.670 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.790 0.960 8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.896 -0.168 7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.511 -0.425 9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.641 0.825 9.252 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.973 2.550 10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.000 1.233 10.706 1.00 0.00 H new ATOM 0 HE ARG A 84 12.792 1.185 11.622 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.515 2.371 12.189 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.784 2.630 13.916 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.129 1.521 13.841 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.821 2.151 14.847 1.00 0.00 H new ATOM 1263 N SER A 85 13.632 2.529 7.884 1.00 0.00 N ATOM 1264 CA SER A 85 15.090 2.501 7.859 1.00 0.00 C ATOM 1265 C SER A 85 15.656 2.389 9.271 1.00 0.00 C ATOM 1266 O SER A 85 14.935 2.553 10.254 1.00 0.00 O ATOM 1267 CB SER A 85 15.633 3.759 7.177 1.00 0.00 C ATOM 1268 OG SER A 85 15.755 4.827 8.101 1.00 0.00 O ATOM 0 H SER A 85 13.235 3.176 8.565 1.00 0.00 H new ATOM 0 HA SER A 85 15.403 1.625 7.291 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.605 3.545 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 85 14.969 4.051 6.364 1.00 0.00 H new ATOM 0 HG SER A 85 16.105 5.619 7.642 1.00 0.00 H new ATOM 1274 N GLU A 86 16.953 2.109 9.361 1.00 0.00 N ATOM 1275 CA GLU A 86 17.616 1.973 10.653 1.00 0.00 C ATOM 1276 C GLU A 86 17.169 3.073 11.612 1.00 0.00 C ATOM 1277 O GLU A 86 17.069 2.856 12.819 1.00 0.00 O ATOM 1278 CB GLU A 86 19.135 2.021 10.478 1.00 0.00 C ATOM 1279 CG GLU A 86 19.744 0.687 10.080 1.00 0.00 C ATOM 1280 CD GLU A 86 21.195 0.810 9.658 1.00 0.00 C ATOM 1281 OE1 GLU A 86 22.077 0.747 10.540 1.00 0.00 O ATOM 1282 OE2 GLU A 86 21.449 0.971 8.446 1.00 0.00 O ATOM 0 H GLU A 86 17.564 1.972 8.556 1.00 0.00 H new ATOM 0 HA GLU A 86 17.336 1.009 11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.382 2.764 9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.589 2.355 11.411 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.671 -0.006 10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.167 0.258 9.261 1.00 0.00 H new ATOM 1289 N ALA A 87 16.901 4.254 11.065 1.00 0.00 N ATOM 1290 CA ALA A 87 16.464 5.388 11.870 1.00 0.00 C ATOM 1291 C ALA A 87 15.055 5.166 12.411 1.00 0.00 C ATOM 1292 O ALA A 87 14.860 4.999 13.614 1.00 0.00 O ATOM 1293 CB ALA A 87 16.522 6.670 11.053 1.00 0.00 C ATOM 0 H ALA A 87 16.979 4.450 10.067 1.00 0.00 H new ATOM 0 HA ALA A 87 17.141 5.481 12.719 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.193 7.508 11.667 1.00 0.00 H new ATOM 0 HB2 ALA A 87 17.545 6.844 10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 87 15.869 6.578 10.185 1.00 0.00 H new ATOM 1299 N GLY A 88 14.075 5.165 11.512 1.00 0.00 N ATOM 1300 CA GLY A 88 12.696 4.963 11.919 1.00 0.00 C ATOM 1301 C GLY A 88 11.728 5.069 10.758 1.00 0.00 C ATOM 1302 O GLY A 88 12.126 5.379 9.634 1.00 0.00 O ATOM 0 H GLY A 88 14.211 5.300 10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 88 12.597 3.981 12.382 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.432 5.701 12.677 1.00 0.00 H new ATOM 1306 N TYR A 89 10.453 4.811 11.027 1.00 0.00 N ATOM 1307 CA TYR A 89 9.426 4.875 9.995 1.00 0.00 C ATOM 1308 C TYR A 89 9.381 6.259 9.355 1.00 0.00 C ATOM 1309 O TYR A 89 9.631 7.268 10.013 1.00 0.00 O ATOM 1310 CB TYR A 89 8.058 4.529 10.585 1.00 0.00 C ATOM 1311 CG TYR A 89 7.735 3.053 10.542 1.00 0.00 C ATOM 1312 CD1 TYR A 89 7.829 2.335 9.356 1.00 0.00 C ATOM 1313 CD2 TYR A 89 7.336 2.375 11.688 1.00 0.00 C ATOM 1314 CE1 TYR A 89 7.534 0.986 9.312 1.00 0.00 C ATOM 1315 CE2 TYR A 89 7.040 1.026 11.654 1.00 0.00 C ATOM 1316 CZ TYR A 89 7.140 0.336 10.464 1.00 0.00 C ATOM 1317 OH TYR A 89 6.847 -1.008 10.424 1.00 0.00 O ATOM 0 H TYR A 89 10.106 4.555 11.952 1.00 0.00 H new ATOM 0 HA TYR A 89 9.677 4.147 9.224 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.021 4.870 11.620 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.288 5.077 10.041 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.138 2.840 8.453 1.00 0.00 H new ATOM 0 HD2 TYR A 89 7.256 2.912 12.621 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.611 0.443 8.381 1.00 0.00 H new ATOM 0 HE2 TYR A 89 6.732 0.515 12.554 1.00 0.00 H new ATOM 0 HH TYR A 89 6.587 -1.313 11.318 1.00 0.00 H new ATOM 1327 N GLY A 90 9.060 6.298 8.065 1.00 0.00 N ATOM 1328 CA GLY A 90 8.988 7.562 7.357 1.00 0.00 C ATOM 1329 C GLY A 90 7.563 7.964 7.031 1.00 0.00 C ATOM 1330 O GLY A 90 6.615 7.214 7.266 1.00 0.00 O ATOM 0 H GLY A 90 8.849 5.477 7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.452 8.341 7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.562 7.491 6.433 1.00 0.00 H new ATOM 1334 N PRO A 91 7.397 9.174 6.478 1.00 0.00 N ATOM 1335 CA PRO A 91 6.080 9.702 6.109 1.00 0.00 C ATOM 1336 C PRO A 91 5.474 8.967 4.918 1.00 0.00 C ATOM 1337 O PRO A 91 6.112 8.821 3.876 1.00 0.00 O ATOM 1338 CB PRO A 91 6.371 11.160 5.745 1.00 0.00 C ATOM 1339 CG PRO A 91 7.803 11.169 5.332 1.00 0.00 C ATOM 1340 CD PRO A 91 8.482 10.121 6.170 1.00 0.00 C ATOM 0 HA PRO A 91 5.355 9.586 6.914 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.724 11.503 4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 91 6.200 11.822 6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.904 10.945 4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.250 12.150 5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.295 9.638 5.628 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.912 10.548 7.076 1.00 0.00 H new ATOM 1348 N PHE A 92 4.238 8.506 5.080 1.00 0.00 N ATOM 1349 CA PHE A 92 3.546 7.785 4.018 1.00 0.00 C ATOM 1350 C PHE A 92 3.618 8.554 2.702 1.00 0.00 C ATOM 1351 O PHE A 92 3.072 9.650 2.580 1.00 0.00 O ATOM 1352 CB PHE A 92 2.084 7.547 4.403 1.00 0.00 C ATOM 1353 CG PHE A 92 1.867 6.278 5.177 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.001 5.044 4.561 1.00 0.00 C ATOM 1355 CD2 PHE A 92 1.528 6.319 6.519 1.00 0.00 C ATOM 1356 CE1 PHE A 92 1.802 3.875 5.270 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.328 5.153 7.234 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.464 3.929 6.608 1.00 0.00 C ATOM 0 H PHE A 92 3.695 8.619 5.936 1.00 0.00 H new ATOM 0 HA PHE A 92 4.041 6.823 3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.731 8.390 4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.478 7.519 3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.264 4.995 3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.419 7.273 7.013 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.911 2.920 4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.066 5.199 8.281 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.306 3.016 7.164 1.00 0.00 H new ATOM 1368 N GLY A 93 4.297 7.970 1.719 1.00 0.00 N ATOM 1369 CA GLY A 93 4.430 8.614 0.425 1.00 0.00 C ATOM 1370 C GLY A 93 3.093 9.029 -0.156 1.00 0.00 C ATOM 1371 O GLY A 93 2.043 8.737 0.416 1.00 0.00 O ATOM 0 H GLY A 93 4.757 7.063 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.068 9.492 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.928 7.934 -0.266 1.00 0.00 H new ATOM 1375 N GLN A 94 3.131 9.714 -1.294 1.00 0.00 N ATOM 1376 CA GLN A 94 1.912 10.172 -1.951 1.00 0.00 C ATOM 1377 C GLN A 94 0.882 9.050 -2.030 1.00 0.00 C ATOM 1378 O GLN A 94 1.111 8.029 -2.677 1.00 0.00 O ATOM 1379 CB GLN A 94 2.228 10.689 -3.355 1.00 0.00 C ATOM 1380 CG GLN A 94 0.991 10.969 -4.193 1.00 0.00 C ATOM 1381 CD GLN A 94 1.329 11.460 -5.587 1.00 0.00 C ATOM 1382 OE1 GLN A 94 2.352 12.112 -5.797 1.00 0.00 O ATOM 1383 NE2 GLN A 94 0.468 11.150 -6.549 1.00 0.00 N ATOM 0 H GLN A 94 3.992 9.964 -1.780 1.00 0.00 H new ATOM 0 HA GLN A 94 1.493 10.985 -1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.816 11.603 -3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.849 9.957 -3.872 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.394 10.060 -4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.376 11.714 -3.689 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.368 10.608 -6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.642 11.454 -7.507 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.253 9.248 -1.366 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.317 8.251 -1.360 1.00 0.00 C ATOM 1394 C GLU A 95 -1.728 7.886 -2.784 1.00 0.00 C ATOM 1395 O GLU A 95 -1.439 8.616 -3.732 1.00 0.00 O ATOM 1396 CB GLU A 95 -2.530 8.772 -0.585 1.00 0.00 C ATOM 1397 CG GLU A 95 -3.152 10.017 -1.194 1.00 0.00 C ATOM 1398 CD GLU A 95 -4.079 10.736 -0.233 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -3.703 10.896 0.947 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -5.181 11.138 -0.662 1.00 0.00 O ATOM 0 H GLU A 95 -0.459 10.089 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.938 7.355 -0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.284 7.986 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.230 8.990 0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.361 10.698 -1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.707 9.740 -2.090 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.404 6.750 -2.925 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.856 6.287 -4.233 1.00 0.00 C ATOM 1409 C HIS A 96 -4.309 5.826 -4.174 1.00 0.00 C ATOM 1410 O HIS A 96 -4.841 5.551 -3.098 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.966 5.147 -4.728 1.00 0.00 C ATOM 1412 CG HIS A 96 -2.396 4.581 -6.047 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -2.458 5.330 -7.203 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -2.785 3.331 -6.389 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -2.868 4.565 -8.199 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -3.073 3.347 -7.732 1.00 0.00 N ATOM 0 H HIS A 96 -2.651 6.134 -2.151 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.787 7.121 -4.931 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.941 5.508 -4.814 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.962 4.350 -3.984 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -2.224 6.320 -7.278 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.856 2.479 -5.729 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -3.011 4.882 -9.221 1.00 0.00 H new ATOM 1425 N HIS A 97 -4.946 5.745 -5.338 1.00 0.00 N ATOM 1426 CA HIS A 97 -6.339 5.317 -5.418 1.00 0.00 C ATOM 1427 C HIS A 97 -6.463 4.017 -6.207 1.00 0.00 C ATOM 1428 O HIS A 97 -6.307 4.003 -7.428 1.00 0.00 O ATOM 1429 CB HIS A 97 -7.192 6.406 -6.070 1.00 0.00 C ATOM 1430 CG HIS A 97 -8.660 6.111 -6.045 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -9.258 5.198 -6.888 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -9.651 6.614 -5.272 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -10.554 5.153 -6.635 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -10.818 6.002 -5.659 1.00 0.00 N ATOM 0 H HIS A 97 -4.521 5.970 -6.238 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.699 5.142 -4.404 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.011 7.352 -5.560 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.873 6.535 -7.104 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -8.775 4.644 -7.596 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.544 7.358 -4.496 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.275 4.528 -7.141 1.00 0.00 H new ATOM 1443 N SER A 98 -6.743 2.927 -5.500 1.00 0.00 N ATOM 1444 CA SER A 98 -6.884 1.621 -6.134 1.00 0.00 C ATOM 1445 C SER A 98 -7.525 1.751 -7.512 1.00 0.00 C ATOM 1446 O SER A 98 -8.614 2.308 -7.651 1.00 0.00 O ATOM 1447 CB SER A 98 -7.723 0.691 -5.254 1.00 0.00 C ATOM 1448 OG SER A 98 -8.987 1.264 -4.968 1.00 0.00 O ATOM 0 H SER A 98 -6.877 2.922 -4.489 1.00 0.00 H new ATOM 0 HA SER A 98 -5.888 1.195 -6.255 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.859 -0.266 -5.757 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.193 0.489 -4.323 1.00 0.00 H new ATOM 0 HG SER A 98 -9.222 1.905 -5.671 1.00 0.00 H new ATOM 1454 N GLN A 99 -6.841 1.234 -8.527 1.00 0.00 N ATOM 1455 CA GLN A 99 -7.343 1.293 -9.895 1.00 0.00 C ATOM 1456 C GLN A 99 -7.813 -0.081 -10.362 1.00 0.00 C ATOM 1457 O GLN A 99 -7.071 -0.813 -11.017 1.00 0.00 O ATOM 1458 CB GLN A 99 -6.259 1.822 -10.836 1.00 0.00 C ATOM 1459 CG GLN A 99 -6.142 3.338 -10.837 1.00 0.00 C ATOM 1460 CD GLN A 99 -5.015 3.835 -11.721 1.00 0.00 C ATOM 1461 OE1 GLN A 99 -3.838 3.630 -11.420 1.00 0.00 O ATOM 1462 NE2 GLN A 99 -5.369 4.493 -12.818 1.00 0.00 N ATOM 0 H GLN A 99 -5.938 0.770 -8.428 1.00 0.00 H new ATOM 0 HA GLN A 99 -8.194 1.974 -9.914 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.299 1.392 -10.550 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.471 1.481 -11.849 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.083 3.771 -11.176 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.980 3.687 -9.817 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.356 4.640 -13.028 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.654 4.852 -13.451 1.00 0.00 H new ATOM 1471 N THR A 100 -9.051 -0.425 -10.022 1.00 0.00 N ATOM 1472 CA THR A 100 -9.619 -1.711 -10.405 1.00 0.00 C ATOM 1473 C THR A 100 -11.028 -1.545 -10.965 1.00 0.00 C ATOM 1474 O THR A 100 -11.948 -1.155 -10.246 1.00 0.00 O ATOM 1475 CB THR A 100 -9.665 -2.683 -9.211 1.00 0.00 C ATOM 1476 OG1 THR A 100 -10.567 -3.760 -9.490 1.00 0.00 O ATOM 1477 CG2 THR A 100 -10.103 -1.964 -7.944 1.00 0.00 C ATOM 0 H THR A 100 -9.680 0.170 -9.482 1.00 0.00 H new ATOM 0 HA THR A 100 -8.970 -2.126 -11.177 1.00 0.00 H new ATOM 0 HB THR A 100 -8.662 -3.080 -9.056 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.589 -4.374 -8.727 1.00 0.00 H new ATOM 0 HG21 THR A 100 -10.128 -2.671 -7.115 1.00 0.00 H new ATOM 0 HG22 THR A 100 -9.398 -1.164 -7.718 1.00 0.00 H new ATOM 0 HG23 THR A 100 -11.097 -1.541 -8.091 1.00 0.00 H new ATOM 1485 N GLN A 101 -11.188 -1.844 -12.250 1.00 0.00 N ATOM 1486 CA GLN A 101 -12.485 -1.727 -12.905 1.00 0.00 C ATOM 1487 C GLN A 101 -13.035 -0.310 -12.775 1.00 0.00 C ATOM 1488 O GLN A 101 -14.209 -0.115 -12.461 1.00 0.00 O ATOM 1489 CB GLN A 101 -13.475 -2.727 -12.305 1.00 0.00 C ATOM 1490 CG GLN A 101 -13.069 -4.178 -12.506 1.00 0.00 C ATOM 1491 CD GLN A 101 -13.552 -4.742 -13.828 1.00 0.00 C ATOM 1492 OE1 GLN A 101 -12.774 -4.899 -14.769 1.00 0.00 O ATOM 1493 NE2 GLN A 101 -14.841 -5.049 -13.906 1.00 0.00 N ATOM 0 H GLN A 101 -10.436 -2.169 -12.858 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.350 -1.950 -13.963 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.575 -2.531 -11.238 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.456 -2.567 -12.752 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.983 -4.258 -12.457 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.470 -4.780 -11.690 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -15.450 -4.902 -13.101 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -15.223 -5.432 -14.771 1.00 0.00 H new ATOM 1502 N LEU A 102 -12.178 0.676 -13.020 1.00 0.00 N ATOM 1503 CA LEU A 102 -12.578 2.076 -12.930 1.00 0.00 C ATOM 1504 C LEU A 102 -11.992 2.884 -14.084 1.00 0.00 C ATOM 1505 O LEU A 102 -10.789 3.141 -14.127 1.00 0.00 O ATOM 1506 CB LEU A 102 -12.127 2.671 -11.595 1.00 0.00 C ATOM 1507 CG LEU A 102 -12.750 2.055 -10.341 1.00 0.00 C ATOM 1508 CD1 LEU A 102 -11.950 2.438 -9.105 1.00 0.00 C ATOM 1509 CD2 LEU A 102 -14.200 2.492 -10.197 1.00 0.00 C ATOM 0 H LEU A 102 -11.203 0.532 -13.282 1.00 0.00 H new ATOM 0 HA LEU A 102 -13.665 2.123 -12.992 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.044 2.573 -11.524 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -12.351 3.738 -11.601 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.727 0.970 -10.442 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.408 1.991 -8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.927 2.075 -9.207 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.941 3.523 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.627 2.044 -9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -14.247 3.578 -10.118 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -14.766 2.167 -11.070 1.00 0.00 H new ATOM 1521 N ASP A 103 -12.851 3.284 -15.015 1.00 0.00 N ATOM 1522 CA ASP A 103 -12.420 4.066 -16.168 1.00 0.00 C ATOM 1523 C ASP A 103 -11.285 5.013 -15.788 1.00 0.00 C ATOM 1524 O ASP A 103 -10.266 5.082 -16.474 1.00 0.00 O ATOM 1525 CB ASP A 103 -13.594 4.861 -16.740 1.00 0.00 C ATOM 1526 CG ASP A 103 -14.718 3.966 -17.225 1.00 0.00 C ATOM 1527 OD1 ASP A 103 -14.448 3.075 -18.057 1.00 0.00 O ATOM 1528 OD2 ASP A 103 -15.866 4.157 -16.773 1.00 0.00 O ATOM 0 H ASP A 103 -13.850 3.080 -14.994 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.055 3.376 -16.928 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -13.977 5.538 -15.977 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.243 5.478 -17.567 1.00 0.00 H new ATOM 1533 N SER A 104 -11.471 5.741 -14.692 1.00 0.00 N ATOM 1534 CA SER A 104 -10.466 6.688 -14.223 1.00 0.00 C ATOM 1535 C SER A 104 -10.004 7.596 -15.359 1.00 0.00 C ATOM 1536 O SER A 104 -8.831 7.959 -15.441 1.00 0.00 O ATOM 1537 CB SER A 104 -9.268 5.941 -13.633 1.00 0.00 C ATOM 1538 OG SER A 104 -9.594 5.362 -12.382 1.00 0.00 O ATOM 0 H SER A 104 -12.309 5.693 -14.112 1.00 0.00 H new ATOM 0 HA SER A 104 -10.918 7.306 -13.447 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.944 5.163 -14.324 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.431 6.628 -13.512 1.00 0.00 H new ATOM 0 HG SER A 104 -10.044 4.503 -12.526 1.00 0.00 H new ATOM 1544 N GLY A 105 -10.937 7.960 -16.234 1.00 0.00 N ATOM 1545 CA GLY A 105 -10.608 8.823 -17.353 1.00 0.00 C ATOM 1546 C GLY A 105 -10.631 8.087 -18.679 1.00 0.00 C ATOM 1547 O GLY A 105 -10.300 6.904 -18.762 1.00 0.00 O ATOM 0 H GLY A 105 -11.915 7.672 -16.188 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -11.315 9.652 -17.389 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.619 9.254 -17.197 1.00 0.00 H new ATOM 1551 N PRO A 106 -11.032 8.794 -19.745 1.00 0.00 N ATOM 1552 CA PRO A 106 -11.109 8.221 -21.092 1.00 0.00 C ATOM 1553 C PRO A 106 -9.731 7.932 -21.679 1.00 0.00 C ATOM 1554 O PRO A 106 -9.514 6.889 -22.295 1.00 0.00 O ATOM 1555 CB PRO A 106 -11.817 9.309 -21.902 1.00 0.00 C ATOM 1556 CG PRO A 106 -11.520 10.576 -21.175 1.00 0.00 C ATOM 1557 CD PRO A 106 -11.441 10.209 -19.719 1.00 0.00 C ATOM 0 HA PRO A 106 -11.627 7.262 -21.097 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.447 9.344 -22.926 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -12.890 9.126 -21.957 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.582 11.013 -21.519 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -12.300 11.318 -21.349 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -10.717 10.827 -19.188 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.400 10.341 -19.219 1.00 0.00 H new ATOM 1565 N SER A 107 -8.802 8.863 -21.482 1.00 0.00 N ATOM 1566 CA SER A 107 -7.446 8.709 -21.994 1.00 0.00 C ATOM 1567 C SER A 107 -6.518 9.766 -21.401 1.00 0.00 C ATOM 1568 O SER A 107 -6.963 10.836 -20.987 1.00 0.00 O ATOM 1569 CB SER A 107 -7.440 8.809 -23.521 1.00 0.00 C ATOM 1570 OG SER A 107 -6.260 8.245 -24.065 1.00 0.00 O ATOM 0 H SER A 107 -8.964 9.731 -20.972 1.00 0.00 H new ATOM 0 HA SER A 107 -7.083 7.724 -21.700 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.312 8.295 -23.925 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.519 9.854 -23.820 1.00 0.00 H new ATOM 0 HG SER A 107 -6.282 8.320 -25.042 1.00 0.00 H new ATOM 1576 N SER A 108 -5.227 9.455 -21.363 1.00 0.00 N ATOM 1577 CA SER A 108 -4.235 10.375 -20.817 1.00 0.00 C ATOM 1578 C SER A 108 -3.604 11.213 -21.924 1.00 0.00 C ATOM 1579 O SER A 108 -3.543 12.438 -21.834 1.00 0.00 O ATOM 1580 CB SER A 108 -3.150 9.602 -20.065 1.00 0.00 C ATOM 1581 OG SER A 108 -2.609 10.378 -19.010 1.00 0.00 O ATOM 0 H SER A 108 -4.843 8.574 -21.703 1.00 0.00 H new ATOM 0 HA SER A 108 -4.741 11.045 -20.122 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.569 8.679 -19.664 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.356 9.318 -20.756 1.00 0.00 H new ATOM 0 HG SER A 108 -1.919 9.861 -18.544 1.00 0.00 H new ATOM 1587 N GLY A 109 -3.134 10.541 -22.971 1.00 0.00 N ATOM 1588 CA GLY A 109 -2.512 11.238 -24.082 1.00 0.00 C ATOM 1589 C GLY A 109 -1.218 11.921 -23.687 1.00 0.00 C ATOM 1590 O GLY A 109 -1.160 12.620 -22.675 1.00 0.00 O ATOM 0 H GLY A 109 -3.173 9.527 -23.070 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.314 10.529 -24.886 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.206 11.981 -24.475 1.00 0.00 H new TER 1594 GLY A 109