USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 819 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 62 CYS SG : rot -108:sc= 1.67 USER MOD Set 1.2: A 64 TYR OH : rot -165:sc= 0.0131 USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= -0.0754 USER MOD Set 2.2: A 31 GLN : amide:sc= -0.183 K(o=-0.26,f=-4.6!) USER MOD Set 3.1: A 1 MET CE :methyl 165:sc= -0.0249 (180deg=-0.304) USER MOD Set 3.2: A 5 THR OG1 : rot -12:sc= 1.91 USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.117 (180deg=-0.139) USER MOD Single : A 14 SER OG : rot -44:sc= 0.879 USER MOD Single : A 17 SER OG : rot -123:sc= 1.24 USER MOD Single : A 22 ASN : amide:sc= 0.52 K(o=0.52,f=-1.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -68:sc= 1.24 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.573 K(o=0.57,f=-6.7!) USER MOD Single : A 67 GLN : amide:sc= -0.537 K(o=-0.54,f=-1.7) USER MOD Single : A 69 THR OG1 : rot -13:sc= 1.17 USER MOD Single : A 72 SER OG : rot 91:sc= 1.43 USER MOD Single : A 74 MET CE :methyl 160:sc= -0.124 (180deg=-0.558) USER MOD Single : A 76 ASN : amide:sc= -0.0746 K(o=-0.075,f=-1.6!) USER MOD Single : A 78 ASN : amide:sc= -0.454 K(o=-0.45,f=-4.3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1.5!) USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.17) USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.19) USER MOD Single : A 103 SER OG : rot -32:sc= 1.24 USER MOD Single : A 106 THR OG1 : rot -64:sc= 0.356 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.864 -4.686 -28.110 1.00 0.00 N ATOM 2 CA MET A 1 -4.648 -4.462 -26.902 1.00 0.00 C ATOM 3 C MET A 1 -4.194 -3.202 -26.176 1.00 0.00 C ATOM 4 O MET A 1 -3.203 -2.578 -26.556 1.00 0.00 O ATOM 5 CB MET A 1 -4.552 -5.674 -25.978 1.00 0.00 C ATOM 6 CG MET A 1 -5.183 -6.942 -26.535 1.00 0.00 C ATOM 7 SD MET A 1 -5.015 -8.350 -25.420 1.00 0.00 S ATOM 8 CE MET A 1 -6.101 -7.856 -24.085 1.00 0.00 C ATOM 0 H1 MET A 1 -4.498 -4.720 -28.934 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.182 -3.910 -28.230 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.352 -5.588 -28.029 1.00 0.00 H new ATOM 0 HA MET A 1 -5.689 -4.323 -27.195 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.501 -5.870 -25.764 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.031 -5.431 -25.029 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.240 -6.762 -26.729 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.720 -7.184 -27.492 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.315 -8.718 -23.453 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.617 -7.081 -23.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.032 -7.468 -24.498 1.00 0.00 H new ATOM 18 N ALA A 2 -4.925 -2.832 -25.130 1.00 0.00 N ATOM 19 CA ALA A 2 -4.596 -1.648 -24.346 1.00 0.00 C ATOM 20 C ALA A 2 -5.300 -1.668 -22.995 1.00 0.00 C ATOM 21 O ALA A 2 -6.106 -2.557 -22.718 1.00 0.00 O ATOM 22 CB ALA A 2 -4.962 -0.386 -25.114 1.00 0.00 C ATOM 0 H ALA A 2 -5.750 -3.336 -24.805 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.521 -1.652 -24.166 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.710 0.490 -24.516 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.407 -0.357 -26.052 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.031 -0.386 -25.325 1.00 0.00 H new ATOM 28 N GLY A 3 -4.991 -0.684 -22.158 1.00 0.00 N ATOM 29 CA GLY A 3 -5.590 -0.590 -20.832 1.00 0.00 C ATOM 30 C GLY A 3 -7.084 -0.306 -20.922 1.00 0.00 C ATOM 31 O GLY A 3 -7.818 -0.480 -19.949 1.00 0.00 O ATOM 0 H GLY A 3 -4.328 0.061 -22.375 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.426 -1.521 -20.289 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -5.100 0.201 -20.264 1.00 0.00 H new ATOM 35 N LEU A 4 -7.529 0.132 -22.095 1.00 0.00 N ATOM 36 CA LEU A 4 -8.946 0.377 -22.334 1.00 0.00 C ATOM 37 C LEU A 4 -9.666 -0.902 -22.739 1.00 0.00 C ATOM 38 O LEU A 4 -10.892 -0.928 -22.849 1.00 0.00 O ATOM 39 CB LEU A 4 -9.123 1.439 -23.427 1.00 0.00 C ATOM 40 CG LEU A 4 -8.570 2.832 -23.097 1.00 0.00 C ATOM 41 CD1 LEU A 4 -8.719 3.738 -24.312 1.00 0.00 C ATOM 42 CD2 LEU A 4 -9.311 3.401 -21.896 1.00 0.00 C ATOM 0 H LEU A 4 -6.927 0.325 -22.896 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.384 0.738 -21.404 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.639 1.082 -24.336 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.186 1.533 -23.648 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.511 2.763 -22.847 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.326 4.728 -24.078 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.165 3.316 -25.150 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.773 3.819 -24.578 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.918 4.390 -21.661 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.374 3.478 -22.127 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.173 2.743 -21.038 1.00 0.00 H new ATOM 54 N THR A 5 -8.897 -1.963 -22.959 1.00 0.00 N ATOM 55 CA THR A 5 -9.462 -3.255 -23.329 1.00 0.00 C ATOM 56 C THR A 5 -9.341 -4.257 -22.188 1.00 0.00 C ATOM 57 O THR A 5 -10.127 -5.199 -22.090 1.00 0.00 O ATOM 58 CB THR A 5 -8.778 -3.820 -24.588 1.00 0.00 C ATOM 59 OG1 THR A 5 -7.393 -4.069 -24.311 1.00 0.00 O ATOM 60 CG2 THR A 5 -8.891 -2.837 -25.743 1.00 0.00 C ATOM 0 H THR A 5 -7.880 -1.953 -22.887 1.00 0.00 H new ATOM 0 HA THR A 5 -10.518 -3.095 -23.544 1.00 0.00 H new ATOM 0 HB THR A 5 -9.274 -4.750 -24.866 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.150 -3.651 -23.459 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.402 -3.253 -26.624 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.943 -2.654 -25.964 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.409 -1.898 -25.470 1.00 0.00 H new ATOM 68 N VAL A 6 -8.351 -4.047 -21.326 1.00 0.00 N ATOM 69 CA VAL A 6 -8.135 -4.923 -20.181 1.00 0.00 C ATOM 70 C VAL A 6 -8.951 -4.468 -18.978 1.00 0.00 C ATOM 71 O VAL A 6 -8.994 -3.280 -18.657 1.00 0.00 O ATOM 72 CB VAL A 6 -6.642 -4.949 -19.804 1.00 0.00 C ATOM 73 CG1 VAL A 6 -6.428 -5.759 -18.533 1.00 0.00 C ATOM 74 CG2 VAL A 6 -5.827 -5.524 -20.953 1.00 0.00 C ATOM 0 H VAL A 6 -7.686 -3.277 -21.399 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.459 -5.925 -20.464 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.307 -3.929 -19.616 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.368 -5.767 -18.281 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.992 -5.309 -17.716 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.771 -6.781 -18.691 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.772 -5.539 -20.679 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.162 -6.540 -21.164 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.962 -4.906 -21.840 1.00 0.00 H new ATOM 84 N ARG A 7 -9.599 -5.420 -18.315 1.00 0.00 N ATOM 85 CA ARG A 7 -10.397 -5.123 -17.132 1.00 0.00 C ATOM 86 C ARG A 7 -9.510 -4.788 -15.939 1.00 0.00 C ATOM 87 O ARG A 7 -8.461 -5.402 -15.742 1.00 0.00 O ATOM 88 CB ARG A 7 -11.292 -6.301 -16.779 1.00 0.00 C ATOM 89 CG ARG A 7 -12.369 -6.615 -17.805 1.00 0.00 C ATOM 90 CD ARG A 7 -13.202 -7.773 -17.390 1.00 0.00 C ATOM 91 NE ARG A 7 -14.224 -8.087 -18.376 1.00 0.00 N ATOM 92 CZ ARG A 7 -15.090 -9.114 -18.279 1.00 0.00 C ATOM 93 NH1 ARG A 7 -15.046 -9.916 -17.238 1.00 0.00 N ATOM 94 NH2 ARG A 7 -15.985 -9.317 -19.231 1.00 0.00 N ATOM 0 H ARG A 7 -9.587 -6.405 -18.578 1.00 0.00 H new ATOM 0 HA ARG A 7 -11.015 -4.256 -17.364 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.669 -7.185 -16.645 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -11.771 -6.101 -15.820 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -13.005 -5.741 -17.944 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.904 -6.828 -18.768 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -12.564 -8.644 -17.239 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -13.676 -7.555 -16.433 1.00 0.00 H new ATOM 0 HE ARG A 7 -14.290 -7.487 -19.199 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -14.356 -9.761 -16.503 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -15.702 -10.694 -17.165 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -16.020 -8.696 -20.039 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -16.641 -10.095 -19.157 1.00 0.00 H new ATOM 108 N ASP A 8 -9.937 -3.812 -15.146 1.00 0.00 N ATOM 109 CA ASP A 8 -9.130 -3.318 -14.036 1.00 0.00 C ATOM 110 C ASP A 8 -8.899 -4.407 -12.996 1.00 0.00 C ATOM 111 O ASP A 8 -7.784 -4.585 -12.507 1.00 0.00 O ATOM 112 CB ASP A 8 -9.804 -2.111 -13.379 1.00 0.00 C ATOM 113 CG ASP A 8 -9.703 -0.846 -14.221 1.00 0.00 C ATOM 114 OD1 ASP A 8 -8.897 -0.817 -15.120 1.00 0.00 O ATOM 115 OD2 ASP A 8 -10.433 0.079 -13.955 1.00 0.00 O ATOM 0 H ASP A 8 -10.838 -3.346 -15.251 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.164 -3.014 -14.439 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.855 -2.340 -13.201 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.347 -1.931 -12.406 1.00 0.00 H new ATOM 120 N PRO A 9 -9.961 -5.133 -12.661 1.00 0.00 N ATOM 121 CA PRO A 9 -9.860 -6.255 -11.736 1.00 0.00 C ATOM 122 C PRO A 9 -8.732 -7.198 -12.134 1.00 0.00 C ATOM 123 O PRO A 9 -7.980 -7.676 -11.285 1.00 0.00 O ATOM 124 CB PRO A 9 -11.230 -6.929 -11.862 1.00 0.00 C ATOM 125 CG PRO A 9 -12.162 -5.808 -12.173 1.00 0.00 C ATOM 126 CD PRO A 9 -11.390 -4.933 -13.124 1.00 0.00 C ATOM 0 HA PRO A 9 -9.627 -5.953 -10.715 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.233 -7.680 -12.652 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.511 -7.436 -10.939 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.084 -6.172 -12.627 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.444 -5.264 -11.272 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.528 -5.239 -14.161 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.697 -3.889 -13.056 1.00 0.00 H new ATOM 134 N ALA A 10 -8.618 -7.462 -13.432 1.00 0.00 N ATOM 135 CA ALA A 10 -7.584 -8.352 -13.945 1.00 0.00 C ATOM 136 C ALA A 10 -6.193 -7.784 -13.695 1.00 0.00 C ATOM 137 O ALA A 10 -5.277 -8.508 -13.308 1.00 0.00 O ATOM 138 CB ALA A 10 -7.793 -8.605 -15.431 1.00 0.00 C ATOM 0 H ALA A 10 -9.230 -7.071 -14.148 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.661 -9.299 -13.411 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.013 -9.271 -15.800 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.768 -9.066 -15.588 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.748 -7.659 -15.971 1.00 0.00 H new ATOM 144 N VAL A 11 -6.043 -6.483 -13.918 1.00 0.00 N ATOM 145 CA VAL A 11 -4.784 -5.799 -13.645 1.00 0.00 C ATOM 146 C VAL A 11 -4.416 -5.891 -12.170 1.00 0.00 C ATOM 147 O VAL A 11 -3.269 -6.172 -11.822 1.00 0.00 O ATOM 148 CB VAL A 11 -4.880 -4.318 -14.056 1.00 0.00 C ATOM 149 CG1 VAL A 11 -3.657 -3.552 -13.576 1.00 0.00 C ATOM 150 CG2 VAL A 11 -5.026 -4.209 -15.567 1.00 0.00 C ATOM 0 H VAL A 11 -6.778 -5.880 -14.287 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.007 -6.291 -14.230 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.760 -3.877 -13.588 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.742 -2.507 -13.875 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.592 -3.614 -12.490 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.760 -3.985 -14.019 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.093 -3.159 -15.851 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.159 -4.661 -16.050 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.930 -4.729 -15.884 1.00 0.00 H new ATOM 160 N ASP A 12 -5.396 -5.651 -11.305 1.00 0.00 N ATOM 161 CA ASP A 12 -5.175 -5.697 -9.864 1.00 0.00 C ATOM 162 C ASP A 12 -4.784 -7.098 -9.411 1.00 0.00 C ATOM 163 O ASP A 12 -3.945 -7.262 -8.525 1.00 0.00 O ATOM 164 CB ASP A 12 -6.429 -5.243 -9.114 1.00 0.00 C ATOM 165 CG ASP A 12 -6.688 -3.748 -9.243 1.00 0.00 C ATOM 166 OD1 ASP A 12 -5.793 -3.042 -9.643 1.00 0.00 O ATOM 167 OD2 ASP A 12 -7.779 -3.326 -8.940 1.00 0.00 O ATOM 0 H ASP A 12 -6.352 -5.422 -11.577 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.354 -5.018 -9.634 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.292 -5.790 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.328 -5.500 -8.059 1.00 0.00 H new ATOM 172 N ARG A 13 -5.396 -8.105 -10.024 1.00 0.00 N ATOM 173 CA ARG A 13 -5.101 -9.495 -9.696 1.00 0.00 C ATOM 174 C ARG A 13 -3.672 -9.859 -10.078 1.00 0.00 C ATOM 175 O ARG A 13 -3.002 -10.609 -9.369 1.00 0.00 O ATOM 176 CB ARG A 13 -6.067 -10.430 -10.409 1.00 0.00 C ATOM 177 CG ARG A 13 -7.467 -10.474 -9.818 1.00 0.00 C ATOM 178 CD ARG A 13 -8.403 -11.240 -10.680 1.00 0.00 C ATOM 179 NE ARG A 13 -9.675 -11.481 -10.018 1.00 0.00 N ATOM 180 CZ ARG A 13 -10.827 -11.768 -10.656 1.00 0.00 C ATOM 181 NH1 ARG A 13 -10.850 -11.845 -11.968 1.00 0.00 N ATOM 182 NH2 ARG A 13 -11.933 -11.972 -9.962 1.00 0.00 N ATOM 0 H ARG A 13 -6.100 -7.985 -10.752 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.216 -9.609 -8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.138 -10.128 -11.454 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.651 -11.437 -10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.430 -10.928 -8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.840 -9.458 -9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.574 -10.692 -11.607 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.949 -12.193 -10.952 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.697 -11.429 -9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.996 -11.688 -12.503 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.722 -12.062 -12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.915 -11.912 -8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.805 -12.189 -10.444 1.00 0.00 H new ATOM 196 N SER A 14 -3.210 -9.324 -11.203 1.00 0.00 N ATOM 197 CA SER A 14 -1.833 -9.521 -11.637 1.00 0.00 C ATOM 198 C SER A 14 -0.856 -8.801 -10.715 1.00 0.00 C ATOM 199 O SER A 14 0.223 -9.313 -10.418 1.00 0.00 O ATOM 200 CB SER A 14 -1.657 -9.026 -13.059 1.00 0.00 C ATOM 201 OG SER A 14 -2.364 -9.831 -13.962 1.00 0.00 O ATOM 0 H SER A 14 -3.771 -8.749 -11.832 1.00 0.00 H new ATOM 0 HA SER A 14 -1.618 -10.589 -11.597 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.005 -7.996 -13.135 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.598 -9.025 -13.319 1.00 0.00 H new ATOM 0 HG SER A 14 -2.226 -10.775 -13.737 1.00 0.00 H new ATOM 207 N LEU A 15 -1.243 -7.612 -10.265 1.00 0.00 N ATOM 208 CA LEU A 15 -0.457 -6.872 -9.285 1.00 0.00 C ATOM 209 C LEU A 15 -0.412 -7.603 -7.949 1.00 0.00 C ATOM 210 O LEU A 15 0.626 -7.645 -7.288 1.00 0.00 O ATOM 211 CB LEU A 15 -1.042 -5.468 -9.088 1.00 0.00 C ATOM 212 CG LEU A 15 -0.910 -4.518 -10.285 1.00 0.00 C ATOM 213 CD1 LEU A 15 -1.725 -3.258 -10.025 1.00 0.00 C ATOM 214 CD2 LEU A 15 0.557 -4.184 -10.509 1.00 0.00 C ATOM 0 H LEU A 15 -2.097 -7.140 -10.564 1.00 0.00 H new ATOM 0 HA LEU A 15 0.561 -6.790 -9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.099 -5.566 -8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.555 -5.009 -8.228 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.294 -4.997 -11.185 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.632 -2.582 -10.875 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.773 -3.525 -9.887 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.355 -2.764 -9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.651 -3.509 -11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.961 -3.703 -9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.112 -5.100 -10.710 1.00 0.00 H new ATOM 226 N ARG A 16 -1.544 -8.178 -7.557 1.00 0.00 N ATOM 227 CA ARG A 16 -1.634 -8.915 -6.302 1.00 0.00 C ATOM 228 C ARG A 16 -1.204 -10.365 -6.484 1.00 0.00 C ATOM 229 O ARG A 16 -2.015 -11.283 -6.359 1.00 0.00 O ATOM 230 CB ARG A 16 -3.054 -8.875 -5.758 1.00 0.00 C ATOM 231 CG ARG A 16 -3.555 -7.490 -5.381 1.00 0.00 C ATOM 232 CD ARG A 16 -5.013 -7.492 -5.095 1.00 0.00 C ATOM 233 NE ARG A 16 -5.482 -6.187 -4.659 1.00 0.00 N ATOM 234 CZ ARG A 16 -6.722 -5.935 -4.195 1.00 0.00 C ATOM 235 NH1 ARG A 16 -7.603 -6.907 -4.113 1.00 0.00 N ATOM 236 NH2 ARG A 16 -7.052 -4.711 -3.822 1.00 0.00 N ATOM 0 H ARG A 16 -2.413 -8.148 -8.091 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.961 -8.435 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.726 -9.298 -6.505 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.109 -9.517 -4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.013 -7.133 -4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.344 -6.793 -6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.558 -7.793 -5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.231 -8.232 -4.325 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.826 -5.407 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.348 -7.852 -4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.541 -6.716 -3.762 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.368 -3.957 -3.885 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.991 -4.520 -3.471 1.00 0.00 H new ATOM 250 N SER A 17 0.076 -10.565 -6.778 1.00 0.00 N ATOM 251 CA SER A 17 0.586 -11.888 -7.119 1.00 0.00 C ATOM 252 C SER A 17 1.949 -12.133 -6.483 1.00 0.00 C ATOM 253 O SER A 17 2.611 -11.198 -6.032 1.00 0.00 O ATOM 254 CB SER A 17 0.687 -12.037 -8.624 1.00 0.00 C ATOM 255 OG SER A 17 1.666 -11.183 -9.149 1.00 0.00 O ATOM 0 H SER A 17 0.780 -9.827 -6.787 1.00 0.00 H new ATOM 0 HA SER A 17 -0.112 -12.628 -6.729 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.928 -13.070 -8.875 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.277 -11.814 -9.081 1.00 0.00 H new ATOM 0 HG SER A 17 1.264 -10.602 -9.828 1.00 0.00 H new ATOM 261 N VAL A 18 2.362 -13.395 -6.450 1.00 0.00 N ATOM 262 CA VAL A 18 3.650 -13.765 -5.876 1.00 0.00 C ATOM 263 C VAL A 18 4.445 -14.647 -6.829 1.00 0.00 C ATOM 264 O VAL A 18 3.888 -15.240 -7.753 1.00 0.00 O ATOM 265 CB VAL A 18 3.448 -14.507 -4.542 1.00 0.00 C ATOM 266 CG1 VAL A 18 2.725 -13.618 -3.541 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.672 -15.794 -4.778 1.00 0.00 C ATOM 0 H VAL A 18 1.822 -14.180 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 18 4.210 -12.846 -5.702 1.00 0.00 H new ATOM 0 HB VAL A 18 4.424 -14.759 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.591 -14.159 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.315 -12.719 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.750 -13.338 -3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.533 -16.314 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.699 -15.558 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.228 -16.433 -5.464 1.00 0.00 H new ATOM 277 N PHE A 19 5.752 -14.731 -6.600 1.00 0.00 N ATOM 278 CA PHE A 19 6.608 -15.626 -7.368 1.00 0.00 C ATOM 279 C PHE A 19 6.937 -16.887 -6.578 1.00 0.00 C ATOM 280 O PHE A 19 7.351 -16.816 -5.421 1.00 0.00 O ATOM 281 CB PHE A 19 7.904 -14.916 -7.766 1.00 0.00 C ATOM 282 CG PHE A 19 8.882 -15.798 -8.488 1.00 0.00 C ATOM 283 CD1 PHE A 19 8.614 -16.249 -9.772 1.00 0.00 C ATOM 284 CD2 PHE A 19 10.071 -16.179 -7.885 1.00 0.00 C ATOM 285 CE1 PHE A 19 9.513 -17.061 -10.437 1.00 0.00 C ATOM 286 CE2 PHE A 19 10.972 -16.989 -8.548 1.00 0.00 C ATOM 287 CZ PHE A 19 10.692 -17.431 -9.826 1.00 0.00 C ATOM 0 H PHE A 19 6.241 -14.189 -5.888 1.00 0.00 H new ATOM 0 HA PHE A 19 6.064 -15.913 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.660 -14.064 -8.401 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.380 -14.519 -6.869 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.693 -15.962 -10.257 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.295 -15.838 -6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.292 -17.406 -11.436 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.895 -17.277 -8.067 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.395 -18.065 -10.346 1.00 0.00 H new ATOM 297 N VAL A 20 6.749 -18.041 -7.210 1.00 0.00 N ATOM 298 CA VAL A 20 6.960 -19.321 -6.546 1.00 0.00 C ATOM 299 C VAL A 20 8.173 -20.045 -7.118 1.00 0.00 C ATOM 300 O VAL A 20 8.333 -20.141 -8.335 1.00 0.00 O ATOM 301 CB VAL A 20 5.715 -20.214 -6.697 1.00 0.00 C ATOM 302 CG1 VAL A 20 5.913 -21.534 -5.967 1.00 0.00 C ATOM 303 CG2 VAL A 20 4.488 -19.485 -6.170 1.00 0.00 C ATOM 0 H VAL A 20 6.451 -18.115 -8.183 1.00 0.00 H new ATOM 0 HA VAL A 20 7.139 -19.120 -5.490 1.00 0.00 H new ATOM 0 HB VAL A 20 5.564 -20.433 -7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.023 -22.152 -6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.774 -22.055 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.084 -21.342 -4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.611 -20.123 -6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.632 -19.245 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.341 -18.565 -6.735 1.00 0.00 H new ATOM 313 N GLY A 21 9.024 -20.552 -6.234 1.00 0.00 N ATOM 314 CA GLY A 21 10.203 -21.304 -6.649 1.00 0.00 C ATOM 315 C GLY A 21 10.355 -22.583 -5.836 1.00 0.00 C ATOM 316 O GLY A 21 9.547 -22.868 -4.952 1.00 0.00 O ATOM 0 H GLY A 21 8.920 -20.456 -5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.126 -21.550 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.093 -20.686 -6.529 1.00 0.00 H new ATOM 320 N ASN A 22 11.395 -23.352 -6.141 1.00 0.00 N ATOM 321 CA ASN A 22 11.618 -24.634 -5.484 1.00 0.00 C ATOM 322 C ASN A 22 10.391 -25.530 -5.593 1.00 0.00 C ATOM 323 O ASN A 22 9.934 -26.096 -4.600 1.00 0.00 O ATOM 324 CB ASN A 22 12.003 -24.430 -4.030 1.00 0.00 C ATOM 325 CG ASN A 22 13.294 -23.676 -3.875 1.00 0.00 C ATOM 326 OD1 ASN A 22 14.048 -23.506 -4.840 1.00 0.00 O ATOM 327 ND2 ASN A 22 13.565 -23.221 -2.678 1.00 0.00 N ATOM 0 H ASN A 22 12.097 -23.109 -6.840 1.00 0.00 H new ATOM 0 HA ASN A 22 12.443 -25.132 -5.994 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.207 -23.889 -3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.092 -25.400 -3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.428 -22.703 -2.513 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.913 -23.385 -1.911 1.00 0.00 H new ATOM 334 N ILE A 23 9.862 -25.655 -6.805 1.00 0.00 N ATOM 335 CA ILE A 23 8.706 -26.508 -7.052 1.00 0.00 C ATOM 336 C ILE A 23 9.134 -27.907 -7.476 1.00 0.00 C ATOM 337 O ILE A 23 9.844 -28.075 -8.468 1.00 0.00 O ATOM 338 CB ILE A 23 7.795 -25.900 -8.134 1.00 0.00 C ATOM 339 CG1 ILE A 23 7.226 -24.559 -7.661 1.00 0.00 C ATOM 340 CG2 ILE A 23 6.672 -26.863 -8.488 1.00 0.00 C ATOM 341 CD1 ILE A 23 6.479 -23.800 -8.734 1.00 0.00 C ATOM 0 H ILE A 23 10.216 -25.176 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 23 8.150 -26.579 -6.117 1.00 0.00 H new ATOM 0 HB ILE A 23 8.391 -25.725 -9.030 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.555 -24.736 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.043 -23.938 -7.292 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.038 -26.417 -9.254 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.096 -27.794 -8.865 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.076 -27.070 -7.599 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.106 -22.862 -8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.151 -23.590 -9.566 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.640 -24.400 -9.087 1.00 0.00 H new ATOM 353 N PRO A 24 8.698 -28.909 -6.720 1.00 0.00 N ATOM 354 CA PRO A 24 8.917 -30.301 -7.092 1.00 0.00 C ATOM 355 C PRO A 24 8.396 -30.585 -8.495 1.00 0.00 C ATOM 356 O PRO A 24 7.228 -30.335 -8.796 1.00 0.00 O ATOM 357 CB PRO A 24 8.126 -31.070 -6.029 1.00 0.00 C ATOM 358 CG PRO A 24 8.089 -30.146 -4.861 1.00 0.00 C ATOM 359 CD PRO A 24 7.928 -28.778 -5.470 1.00 0.00 C ATOM 0 HA PRO A 24 9.970 -30.580 -7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.122 -31.312 -6.377 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.611 -32.013 -5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.261 -30.383 -4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.004 -30.213 -4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.882 -28.535 -5.658 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.326 -27.994 -4.825 1.00 0.00 H new ATOM 367 N TYR A 25 9.268 -31.109 -9.350 1.00 0.00 N ATOM 368 CA TYR A 25 8.918 -31.361 -10.743 1.00 0.00 C ATOM 369 C TYR A 25 7.790 -32.378 -10.852 1.00 0.00 C ATOM 370 O TYR A 25 7.074 -32.422 -11.853 1.00 0.00 O ATOM 371 CB TYR A 25 10.143 -31.841 -11.524 1.00 0.00 C ATOM 372 CG TYR A 25 10.470 -33.302 -11.308 1.00 0.00 C ATOM 373 CD1 TYR A 25 9.921 -34.266 -12.142 1.00 0.00 C ATOM 374 CD2 TYR A 25 11.318 -33.678 -10.278 1.00 0.00 C ATOM 375 CE1 TYR A 25 10.219 -35.601 -11.945 1.00 0.00 C ATOM 376 CE2 TYR A 25 11.616 -35.013 -10.081 1.00 0.00 C ATOM 377 CZ TYR A 25 11.071 -35.971 -10.910 1.00 0.00 C ATOM 378 OH TYR A 25 11.368 -37.301 -10.714 1.00 0.00 O ATOM 0 H TYR A 25 10.223 -31.368 -9.102 1.00 0.00 H new ATOM 0 HA TYR A 25 8.570 -30.423 -11.176 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.975 -31.669 -12.587 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.005 -31.239 -11.236 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.261 -33.973 -12.945 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.746 -32.928 -9.630 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.792 -36.353 -12.592 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.276 -35.306 -9.278 1.00 0.00 H new ATOM 0 HH TYR A 25 11.977 -37.391 -9.952 1.00 0.00 H new ATOM 388 N GLU A 26 7.635 -33.196 -9.816 1.00 0.00 N ATOM 389 CA GLU A 26 6.603 -34.225 -9.800 1.00 0.00 C ATOM 390 C GLU A 26 5.214 -33.611 -9.682 1.00 0.00 C ATOM 391 O GLU A 26 4.226 -34.197 -10.124 1.00 0.00 O ATOM 392 CB GLU A 26 6.839 -35.200 -8.644 1.00 0.00 C ATOM 393 CG GLU A 26 8.088 -36.059 -8.791 1.00 0.00 C ATOM 394 CD GLU A 26 8.297 -36.991 -7.631 1.00 0.00 C ATOM 395 OE1 GLU A 26 7.551 -36.908 -6.685 1.00 0.00 O ATOM 396 OE2 GLU A 26 9.204 -37.787 -7.690 1.00 0.00 O ATOM 0 H GLU A 26 8.212 -33.166 -8.976 1.00 0.00 H new ATOM 0 HA GLU A 26 6.660 -34.767 -10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.910 -34.633 -7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.972 -35.854 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.016 -36.641 -9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.959 -35.411 -8.891 1.00 0.00 H new ATOM 403 N ALA A 27 5.145 -32.427 -9.083 1.00 0.00 N ATOM 404 CA ALA A 27 3.873 -31.746 -8.874 1.00 0.00 C ATOM 405 C ALA A 27 3.340 -31.161 -10.176 1.00 0.00 C ATOM 406 O ALA A 27 4.103 -30.653 -10.997 1.00 0.00 O ATOM 407 CB ALA A 27 4.022 -30.654 -7.825 1.00 0.00 C ATOM 0 H ALA A 27 5.957 -31.918 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 27 3.153 -32.482 -8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.064 -30.155 -7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.347 -31.096 -6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.763 -29.927 -8.159 1.00 0.00 H new ATOM 413 N THR A 28 2.026 -31.236 -10.358 1.00 0.00 N ATOM 414 CA THR A 28 1.387 -30.697 -11.552 1.00 0.00 C ATOM 415 C THR A 28 0.915 -29.266 -11.327 1.00 0.00 C ATOM 416 O THR A 28 0.825 -28.804 -10.190 1.00 0.00 O ATOM 417 CB THR A 28 0.196 -31.572 -11.986 1.00 0.00 C ATOM 418 OG1 THR A 28 -0.839 -31.500 -10.996 1.00 0.00 O ATOM 419 CG2 THR A 28 0.631 -33.019 -12.155 1.00 0.00 C ATOM 0 H THR A 28 1.383 -31.665 -9.693 1.00 0.00 H new ATOM 0 HA THR A 28 2.134 -30.699 -12.346 1.00 0.00 H new ATOM 0 HB THR A 28 -0.178 -31.202 -12.941 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.597 -32.056 -11.274 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.223 -33.622 -12.462 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.409 -33.078 -12.916 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.020 -33.395 -11.209 1.00 0.00 H new ATOM 427 N GLU A 29 0.616 -28.569 -12.418 1.00 0.00 N ATOM 428 CA GLU A 29 0.196 -27.174 -12.344 1.00 0.00 C ATOM 429 C GLU A 29 -1.091 -27.028 -11.543 1.00 0.00 C ATOM 430 O GLU A 29 -1.190 -26.178 -10.658 1.00 0.00 O ATOM 431 CB GLU A 29 0.002 -26.601 -13.749 1.00 0.00 C ATOM 432 CG GLU A 29 -0.351 -25.120 -13.781 1.00 0.00 C ATOM 433 CD GLU A 29 -0.460 -24.575 -15.178 1.00 0.00 C ATOM 434 OE1 GLU A 29 -1.226 -25.106 -15.945 1.00 0.00 O ATOM 435 OE2 GLU A 29 0.225 -23.625 -15.478 1.00 0.00 O ATOM 0 H GLU A 29 0.657 -28.947 -13.364 1.00 0.00 H new ATOM 0 HA GLU A 29 0.982 -26.616 -11.835 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.917 -26.756 -14.321 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.787 -27.161 -14.251 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.297 -24.966 -13.261 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.408 -24.559 -13.236 1.00 0.00 H new ATOM 442 N GLU A 30 -2.076 -27.863 -11.857 1.00 0.00 N ATOM 443 CA GLU A 30 -3.361 -27.824 -11.171 1.00 0.00 C ATOM 444 C GLU A 30 -3.217 -28.219 -9.707 1.00 0.00 C ATOM 445 O GLU A 30 -3.837 -27.621 -8.829 1.00 0.00 O ATOM 446 CB GLU A 30 -4.364 -28.751 -11.863 1.00 0.00 C ATOM 447 CG GLU A 30 -4.810 -28.278 -13.240 1.00 0.00 C ATOM 448 CD GLU A 30 -5.739 -29.246 -13.918 1.00 0.00 C ATOM 449 OE1 GLU A 30 -5.909 -30.330 -13.413 1.00 0.00 O ATOM 450 OE2 GLU A 30 -6.280 -28.902 -14.942 1.00 0.00 O ATOM 0 H GLU A 30 -2.008 -28.576 -12.583 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.730 -26.799 -11.215 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.919 -29.741 -11.959 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.242 -28.856 -11.226 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.306 -27.312 -13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.932 -28.124 -13.868 1.00 0.00 H new ATOM 457 N GLN A 31 -2.394 -29.231 -9.451 1.00 0.00 N ATOM 458 CA GLN A 31 -2.106 -29.657 -8.087 1.00 0.00 C ATOM 459 C GLN A 31 -1.561 -28.505 -7.253 1.00 0.00 C ATOM 460 O GLN A 31 -2.014 -28.269 -6.133 1.00 0.00 O ATOM 461 CB GLN A 31 -1.108 -30.819 -8.088 1.00 0.00 C ATOM 462 CG GLN A 31 -0.720 -31.307 -6.703 1.00 0.00 C ATOM 463 CD GLN A 31 0.276 -32.451 -6.751 1.00 0.00 C ATOM 464 OE1 GLN A 31 0.884 -32.720 -7.791 1.00 0.00 O ATOM 465 NE2 GLN A 31 0.448 -33.131 -5.624 1.00 0.00 N ATOM 0 H GLN A 31 -1.915 -29.771 -10.171 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.042 -29.991 -7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.536 -31.651 -8.647 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.207 -30.509 -8.618 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.292 -30.480 -6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.615 -31.630 -6.171 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.076 -32.873 -4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.104 -33.911 -5.594 1.00 0.00 H new ATOM 474 N LEU A 32 -0.588 -27.790 -7.806 1.00 0.00 N ATOM 475 CA LEU A 32 0.018 -26.657 -7.116 1.00 0.00 C ATOM 476 C LEU A 32 -1.012 -25.572 -6.829 1.00 0.00 C ATOM 477 O LEU A 32 -1.059 -25.022 -5.729 1.00 0.00 O ATOM 478 CB LEU A 32 1.162 -26.075 -7.955 1.00 0.00 C ATOM 479 CG LEU A 32 2.396 -26.973 -8.110 1.00 0.00 C ATOM 480 CD1 LEU A 32 3.282 -26.431 -9.224 1.00 0.00 C ATOM 481 CD2 LEU A 32 3.151 -27.032 -6.791 1.00 0.00 C ATOM 0 H LEU A 32 -0.201 -27.975 -8.732 1.00 0.00 H new ATOM 0 HA LEU A 32 0.413 -27.017 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.778 -25.842 -8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.475 -25.133 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 32 2.089 -27.985 -8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.159 -27.069 -9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.723 -26.418 -10.160 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.599 -25.418 -8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.028 -27.670 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.467 -26.028 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.501 -27.440 -6.017 1.00 0.00 H new ATOM 493 N LYS A 33 -1.838 -25.269 -7.825 1.00 0.00 N ATOM 494 CA LYS A 33 -2.901 -24.284 -7.666 1.00 0.00 C ATOM 495 C LYS A 33 -3.823 -24.652 -6.510 1.00 0.00 C ATOM 496 O LYS A 33 -4.205 -23.796 -5.712 1.00 0.00 O ATOM 497 CB LYS A 33 -3.707 -24.152 -8.959 1.00 0.00 C ATOM 498 CG LYS A 33 -4.809 -23.102 -8.910 1.00 0.00 C ATOM 499 CD LYS A 33 -5.541 -23.007 -10.240 1.00 0.00 C ATOM 500 CE LYS A 33 -6.679 -21.998 -10.175 1.00 0.00 C ATOM 501 NZ LYS A 33 -7.454 -21.951 -11.444 1.00 0.00 N ATOM 0 H LYS A 33 -1.791 -25.692 -8.752 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.436 -23.325 -7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.026 -23.908 -9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.153 -25.118 -9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.517 -23.351 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.379 -22.132 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.840 -22.718 -11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.936 -23.986 -10.511 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.346 -22.256 -9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.275 -21.009 -9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.219 -21.252 -11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.824 -21.680 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.862 -22.888 -11.637 1.00 0.00 H new ATOM 515 N ASP A 34 -4.178 -25.929 -6.427 1.00 0.00 N ATOM 516 CA ASP A 34 -5.093 -26.404 -5.395 1.00 0.00 C ATOM 517 C ASP A 34 -4.521 -26.173 -4.003 1.00 0.00 C ATOM 518 O ASP A 34 -5.215 -25.690 -3.108 1.00 0.00 O ATOM 519 CB ASP A 34 -5.394 -27.893 -5.589 1.00 0.00 C ATOM 520 CG ASP A 34 -6.303 -28.163 -6.780 1.00 0.00 C ATOM 521 OD1 ASP A 34 -6.924 -27.240 -7.250 1.00 0.00 O ATOM 522 OD2 ASP A 34 -6.367 -29.291 -7.209 1.00 0.00 O ATOM 0 H ASP A 34 -3.846 -26.655 -7.062 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.019 -25.836 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.457 -28.433 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.861 -28.285 -4.686 1.00 0.00 H new ATOM 527 N ILE A 35 -3.251 -26.521 -3.825 1.00 0.00 N ATOM 528 CA ILE A 35 -2.603 -26.419 -2.523 1.00 0.00 C ATOM 529 C ILE A 35 -2.199 -24.982 -2.219 1.00 0.00 C ATOM 530 O ILE A 35 -1.921 -24.634 -1.071 1.00 0.00 O ATOM 531 CB ILE A 35 -1.362 -27.327 -2.453 1.00 0.00 C ATOM 532 CG1 ILE A 35 -0.293 -26.847 -3.438 1.00 0.00 C ATOM 533 CG2 ILE A 35 -1.744 -28.771 -2.740 1.00 0.00 C ATOM 534 CD1 ILE A 35 1.039 -27.544 -3.282 1.00 0.00 C ATOM 0 H ILE A 35 -2.649 -26.877 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.326 -26.746 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.950 -27.274 -1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.655 -26.999 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.148 -25.774 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.855 -29.400 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.472 -29.108 -2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.179 -28.841 -3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.744 -27.150 -4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.425 -27.371 -2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.910 -28.615 -3.442 1.00 0.00 H new ATOM 546 N PHE A 36 -2.168 -24.150 -3.255 1.00 0.00 N ATOM 547 CA PHE A 36 -1.899 -22.727 -3.087 1.00 0.00 C ATOM 548 C PHE A 36 -3.165 -21.967 -2.714 1.00 0.00 C ATOM 549 O PHE A 36 -3.102 -20.892 -2.116 1.00 0.00 O ATOM 550 CB PHE A 36 -1.305 -22.141 -4.369 1.00 0.00 C ATOM 551 CG PHE A 36 0.104 -22.584 -4.642 1.00 0.00 C ATOM 552 CD1 PHE A 36 0.820 -23.293 -3.690 1.00 0.00 C ATOM 553 CD2 PHE A 36 0.717 -22.291 -5.851 1.00 0.00 C ATOM 554 CE1 PHE A 36 2.117 -23.701 -3.940 1.00 0.00 C ATOM 555 CE2 PHE A 36 2.012 -22.699 -6.105 1.00 0.00 C ATOM 556 CZ PHE A 36 2.713 -23.404 -5.147 1.00 0.00 C ATOM 0 H PHE A 36 -2.326 -24.437 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.180 -22.619 -2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.935 -22.424 -5.212 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.328 -21.053 -4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.359 -23.529 -2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.175 -21.737 -6.603 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.664 -24.253 -3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.476 -22.467 -7.052 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.726 -23.722 -5.343 1.00 0.00 H new ATOM 566 N SER A 37 -4.314 -22.531 -3.070 1.00 0.00 N ATOM 567 CA SER A 37 -5.599 -21.952 -2.696 1.00 0.00 C ATOM 568 C SER A 37 -5.891 -22.167 -1.217 1.00 0.00 C ATOM 569 O SER A 37 -6.835 -21.597 -0.671 1.00 0.00 O ATOM 570 CB SER A 37 -6.708 -22.560 -3.533 1.00 0.00 C ATOM 571 OG SER A 37 -6.995 -23.866 -3.114 1.00 0.00 O ATOM 0 H SER A 37 -4.382 -23.389 -3.617 1.00 0.00 H new ATOM 0 HA SER A 37 -5.551 -20.879 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.605 -21.945 -3.457 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.414 -22.567 -4.583 1.00 0.00 H new ATOM 0 HG SER A 37 -6.235 -24.450 -3.318 1.00 0.00 H new ATOM 577 N GLU A 38 -5.075 -22.994 -0.572 1.00 0.00 N ATOM 578 CA GLU A 38 -5.227 -23.265 0.852 1.00 0.00 C ATOM 579 C GLU A 38 -4.920 -22.027 1.685 1.00 0.00 C ATOM 580 O GLU A 38 -5.436 -21.867 2.791 1.00 0.00 O ATOM 581 CB GLU A 38 -4.313 -24.417 1.277 1.00 0.00 C ATOM 582 CG GLU A 38 -4.706 -25.773 0.709 1.00 0.00 C ATOM 583 CD GLU A 38 -3.733 -26.862 1.068 1.00 0.00 C ATOM 584 OE1 GLU A 38 -2.629 -26.546 1.441 1.00 0.00 O ATOM 585 OE2 GLU A 38 -4.094 -28.011 0.968 1.00 0.00 O ATOM 0 H GLU A 38 -4.300 -23.489 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.265 -23.548 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.293 -24.189 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.309 -24.480 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.696 -26.042 1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.778 -25.700 -0.376 1.00 0.00 H new ATOM 592 N VAL A 39 -4.076 -21.153 1.147 1.00 0.00 N ATOM 593 CA VAL A 39 -3.557 -20.022 1.906 1.00 0.00 C ATOM 594 C VAL A 39 -4.116 -18.705 1.385 1.00 0.00 C ATOM 595 O VAL A 39 -3.735 -17.630 1.848 1.00 0.00 O ATOM 596 CB VAL A 39 -2.019 -19.989 1.831 1.00 0.00 C ATOM 597 CG1 VAL A 39 -1.427 -21.236 2.471 1.00 0.00 C ATOM 598 CG2 VAL A 39 -1.574 -19.864 0.382 1.00 0.00 C ATOM 0 H VAL A 39 -3.737 -21.207 0.187 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.870 -20.148 2.942 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.657 -19.122 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.340 -21.196 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.729 -21.286 3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.788 -22.121 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.485 -19.841 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.943 -20.717 -0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.974 -18.944 -0.043 1.00 0.00 H new ATOM 608 N GLY A 40 -5.023 -18.795 0.418 1.00 0.00 N ATOM 609 CA GLY A 40 -5.675 -17.613 -0.133 1.00 0.00 C ATOM 610 C GLY A 40 -6.309 -17.913 -1.485 1.00 0.00 C ATOM 611 O GLY A 40 -5.812 -18.746 -2.243 1.00 0.00 O ATOM 0 H GLY A 40 -5.323 -19.675 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.439 -17.260 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.946 -16.809 -0.240 1.00 0.00 H new ATOM 615 N PRO A 41 -7.409 -17.229 -1.783 1.00 0.00 N ATOM 616 CA PRO A 41 -8.103 -17.409 -3.052 1.00 0.00 C ATOM 617 C PRO A 41 -7.169 -17.163 -4.230 1.00 0.00 C ATOM 618 O PRO A 41 -6.713 -16.041 -4.450 1.00 0.00 O ATOM 619 CB PRO A 41 -9.218 -16.360 -2.987 1.00 0.00 C ATOM 620 CG PRO A 41 -9.470 -16.185 -1.528 1.00 0.00 C ATOM 621 CD PRO A 41 -8.105 -16.274 -0.899 1.00 0.00 C ATOM 0 HA PRO A 41 -8.480 -18.421 -3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.912 -15.424 -3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.114 -16.698 -3.508 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.942 -15.225 -1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.136 -16.958 -1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.605 -15.306 -0.874 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.154 -16.634 0.129 1.00 0.00 H new ATOM 629 N VAL A 42 -6.888 -18.219 -4.986 1.00 0.00 N ATOM 630 CA VAL A 42 -6.102 -18.099 -6.208 1.00 0.00 C ATOM 631 C VAL A 42 -6.996 -17.844 -7.415 1.00 0.00 C ATOM 632 O VAL A 42 -7.963 -18.568 -7.647 1.00 0.00 O ATOM 633 CB VAL A 42 -5.281 -19.381 -6.443 1.00 0.00 C ATOM 634 CG1 VAL A 42 -4.539 -19.302 -7.769 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.309 -19.591 -5.293 1.00 0.00 C ATOM 0 H VAL A 42 -7.193 -19.169 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.429 -17.250 -6.087 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.959 -20.233 -6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.964 -20.216 -7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.257 -19.187 -8.581 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.864 -18.446 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.732 -20.499 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.633 -18.738 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.864 -19.686 -4.360 1.00 0.00 H new ATOM 645 N VAL A 43 -6.666 -16.809 -8.180 1.00 0.00 N ATOM 646 CA VAL A 43 -7.456 -16.438 -9.348 1.00 0.00 C ATOM 647 C VAL A 43 -6.766 -16.862 -10.638 1.00 0.00 C ATOM 648 O VAL A 43 -7.395 -16.939 -11.694 1.00 0.00 O ATOM 649 CB VAL A 43 -7.692 -14.916 -9.372 1.00 0.00 C ATOM 650 CG1 VAL A 43 -8.452 -14.475 -8.130 1.00 0.00 C ATOM 651 CG2 VAL A 43 -6.360 -14.187 -9.476 1.00 0.00 C ATOM 0 H VAL A 43 -5.856 -16.212 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.413 -16.956 -9.278 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.296 -14.666 -10.244 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.610 -13.397 -8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.416 -14.982 -8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.875 -14.730 -7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.534 -13.111 -9.493 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.738 -14.441 -8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.852 -14.486 -10.393 1.00 0.00 H new ATOM 661 N SER A 44 -5.469 -17.137 -10.546 1.00 0.00 N ATOM 662 CA SER A 44 -4.712 -17.647 -11.683 1.00 0.00 C ATOM 663 C SER A 44 -3.362 -18.199 -11.243 1.00 0.00 C ATOM 664 O SER A 44 -2.763 -17.709 -10.285 1.00 0.00 O ATOM 665 CB SER A 44 -4.510 -16.551 -12.710 1.00 0.00 C ATOM 666 OG SER A 44 -3.769 -17.018 -13.804 1.00 0.00 O ATOM 0 H SER A 44 -4.920 -17.015 -9.695 1.00 0.00 H new ATOM 0 HA SER A 44 -5.284 -18.460 -12.130 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.478 -16.185 -13.052 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.995 -15.708 -12.250 1.00 0.00 H new ATOM 0 HG SER A 44 -3.653 -16.294 -14.454 1.00 0.00 H new ATOM 672 N PHE A 45 -2.888 -19.221 -11.947 1.00 0.00 N ATOM 673 CA PHE A 45 -1.582 -19.805 -11.666 1.00 0.00 C ATOM 674 C PHE A 45 -0.912 -20.295 -12.943 1.00 0.00 C ATOM 675 O PHE A 45 -1.543 -20.945 -13.777 1.00 0.00 O ATOM 676 CB PHE A 45 -1.716 -20.964 -10.677 1.00 0.00 C ATOM 677 CG PHE A 45 -0.427 -21.691 -10.418 1.00 0.00 C ATOM 678 CD1 PHE A 45 0.620 -21.064 -9.760 1.00 0.00 C ATOM 679 CD2 PHE A 45 -0.259 -23.004 -10.833 1.00 0.00 C ATOM 680 CE1 PHE A 45 1.806 -21.732 -9.521 1.00 0.00 C ATOM 681 CE2 PHE A 45 0.925 -23.675 -10.594 1.00 0.00 C ATOM 682 CZ PHE A 45 1.958 -23.037 -9.938 1.00 0.00 C ATOM 0 H PHE A 45 -3.390 -19.663 -12.718 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.959 -19.027 -11.225 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.103 -20.581 -9.733 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.452 -21.672 -11.059 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.507 -20.042 -9.430 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.063 -23.508 -11.349 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.614 -21.232 -9.008 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.042 -24.698 -10.920 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.885 -23.560 -9.752 1.00 0.00 H new ATOM 692 N ARG A 46 0.370 -19.980 -13.091 1.00 0.00 N ATOM 693 CA ARG A 46 1.133 -20.403 -14.259 1.00 0.00 C ATOM 694 C ARG A 46 2.415 -21.117 -13.851 1.00 0.00 C ATOM 695 O ARG A 46 3.319 -20.511 -13.276 1.00 0.00 O ATOM 696 CB ARG A 46 1.479 -19.208 -15.135 1.00 0.00 C ATOM 697 CG ARG A 46 2.131 -19.556 -16.464 1.00 0.00 C ATOM 698 CD ARG A 46 2.455 -18.339 -17.251 1.00 0.00 C ATOM 699 NE ARG A 46 3.597 -17.625 -16.702 1.00 0.00 N ATOM 700 CZ ARG A 46 3.684 -16.285 -16.598 1.00 0.00 C ATOM 701 NH1 ARG A 46 2.691 -15.528 -17.011 1.00 0.00 N ATOM 702 NH2 ARG A 46 4.767 -15.731 -16.082 1.00 0.00 N ATOM 0 H ARG A 46 0.903 -19.432 -12.416 1.00 0.00 H new ATOM 0 HA ARG A 46 0.509 -21.097 -14.823 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.567 -18.643 -15.331 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.148 -18.550 -14.580 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.042 -20.127 -16.284 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.463 -20.196 -17.041 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.665 -18.620 -18.283 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.589 -17.678 -17.270 1.00 0.00 H new ATOM 0 HE ARG A 46 4.388 -18.178 -16.372 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.855 -15.956 -17.410 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.757 -14.513 -16.932 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.537 -16.318 -15.762 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.833 -14.716 -16.003 1.00 0.00 H new ATOM 716 N LEU A 47 2.488 -22.410 -14.151 1.00 0.00 N ATOM 717 CA LEU A 47 3.690 -23.191 -13.885 1.00 0.00 C ATOM 718 C LEU A 47 4.598 -23.238 -15.108 1.00 0.00 C ATOM 719 O LEU A 47 4.189 -23.683 -16.180 1.00 0.00 O ATOM 720 CB LEU A 47 3.313 -24.618 -13.466 1.00 0.00 C ATOM 721 CG LEU A 47 4.488 -25.574 -13.227 1.00 0.00 C ATOM 722 CD1 LEU A 47 5.324 -25.070 -12.058 1.00 0.00 C ATOM 723 CD2 LEU A 47 3.958 -26.974 -12.956 1.00 0.00 C ATOM 0 H LEU A 47 1.728 -22.939 -14.579 1.00 0.00 H new ATOM 0 HA LEU A 47 4.231 -22.706 -13.073 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.721 -24.564 -12.552 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.672 -25.046 -14.237 1.00 0.00 H new ATOM 0 HG LEU A 47 5.122 -25.612 -14.113 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.159 -25.750 -11.888 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.706 -24.075 -12.286 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.706 -25.024 -11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.794 -27.653 -12.786 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.319 -26.957 -12.073 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.381 -27.317 -13.815 1.00 0.00 H new ATOM 735 N VAL A 48 5.832 -22.775 -14.939 1.00 0.00 N ATOM 736 CA VAL A 48 6.797 -22.753 -16.032 1.00 0.00 C ATOM 737 C VAL A 48 7.521 -24.088 -16.155 1.00 0.00 C ATOM 738 O VAL A 48 8.032 -24.621 -15.170 1.00 0.00 O ATOM 739 CB VAL A 48 7.829 -21.631 -15.810 1.00 0.00 C ATOM 740 CG1 VAL A 48 8.871 -21.640 -16.919 1.00 0.00 C ATOM 741 CG2 VAL A 48 7.125 -20.285 -15.742 1.00 0.00 C ATOM 0 H VAL A 48 6.187 -22.410 -14.055 1.00 0.00 H new ATOM 0 HA VAL A 48 6.248 -22.568 -16.955 1.00 0.00 H new ATOM 0 HB VAL A 48 8.341 -21.804 -14.863 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.592 -20.841 -16.747 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.387 -22.600 -16.925 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.381 -21.485 -17.880 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.861 -19.497 -15.585 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.594 -20.104 -16.677 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.414 -20.287 -14.916 1.00 0.00 H new ATOM 751 N TYR A 49 7.560 -24.624 -17.370 1.00 0.00 N ATOM 752 CA TYR A 49 8.127 -25.946 -17.606 1.00 0.00 C ATOM 753 C TYR A 49 8.918 -25.982 -18.907 1.00 0.00 C ATOM 754 O TYR A 49 8.764 -25.111 -19.763 1.00 0.00 O ATOM 755 CB TYR A 49 7.022 -27.006 -17.627 1.00 0.00 C ATOM 756 CG TYR A 49 6.077 -26.879 -18.801 1.00 0.00 C ATOM 757 CD1 TYR A 49 6.313 -27.600 -19.962 1.00 0.00 C ATOM 758 CD2 TYR A 49 4.974 -26.042 -18.716 1.00 0.00 C ATOM 759 CE1 TYR A 49 5.449 -27.484 -21.035 1.00 0.00 C ATOM 760 CE2 TYR A 49 4.111 -25.926 -19.788 1.00 0.00 C ATOM 761 CZ TYR A 49 4.346 -26.644 -20.944 1.00 0.00 C ATOM 762 OH TYR A 49 3.486 -26.528 -22.012 1.00 0.00 O ATOM 0 H TYR A 49 7.205 -24.162 -18.207 1.00 0.00 H new ATOM 0 HA TYR A 49 8.812 -26.167 -16.788 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.480 -27.995 -17.647 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.449 -26.939 -16.702 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.172 -28.252 -20.028 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.790 -25.481 -17.812 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.631 -28.044 -21.940 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.253 -25.274 -19.722 1.00 0.00 H new ATOM 0 HH TYR A 49 2.766 -25.902 -21.786 1.00 0.00 H new ATOM 772 N ALA A 50 9.765 -26.996 -19.051 1.00 0.00 N ATOM 773 CA ALA A 50 10.565 -27.161 -20.259 1.00 0.00 C ATOM 774 C ALA A 50 9.844 -28.028 -21.283 1.00 0.00 C ATOM 775 O ALA A 50 9.291 -29.075 -20.945 1.00 0.00 O ATOM 776 CB ALA A 50 11.921 -27.761 -19.918 1.00 0.00 C ATOM 0 H ALA A 50 9.915 -27.717 -18.345 1.00 0.00 H new ATOM 0 HA ALA A 50 10.716 -26.176 -20.700 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.507 -27.878 -20.830 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.449 -27.100 -19.230 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.780 -28.735 -19.449 1.00 0.00 H new ATOM 782 N ARG A 51 9.853 -27.587 -22.536 1.00 0.00 N ATOM 783 CA ARG A 51 9.202 -28.323 -23.613 1.00 0.00 C ATOM 784 C ARG A 51 10.025 -29.536 -24.027 1.00 0.00 C ATOM 785 O ARG A 51 9.490 -30.509 -24.558 1.00 0.00 O ATOM 786 CB ARG A 51 8.985 -27.424 -24.821 1.00 0.00 C ATOM 787 CG ARG A 51 7.953 -26.325 -24.623 1.00 0.00 C ATOM 788 CD ARG A 51 7.830 -25.464 -25.827 1.00 0.00 C ATOM 789 NE ARG A 51 6.849 -24.407 -25.640 1.00 0.00 N ATOM 790 CZ ARG A 51 6.609 -23.420 -26.526 1.00 0.00 C ATOM 791 NH1 ARG A 51 7.285 -23.370 -27.652 1.00 0.00 N ATOM 792 NH2 ARG A 51 5.694 -22.504 -26.262 1.00 0.00 N ATOM 0 H ARG A 51 10.305 -26.722 -22.831 1.00 0.00 H new ATOM 0 HA ARG A 51 8.237 -28.665 -23.239 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.936 -26.965 -25.090 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.679 -28.042 -25.665 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.985 -26.771 -24.394 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.233 -25.713 -23.765 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.799 -25.023 -26.058 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.546 -26.076 -26.683 1.00 0.00 H new ATOM 0 HE ARG A 51 6.304 -24.413 -24.778 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.991 -24.078 -27.855 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.104 -22.623 -28.323 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.170 -22.544 -25.388 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.512 -21.757 -26.932 1.00 0.00 H new ATOM 806 N GLU A 52 11.329 -29.471 -23.782 1.00 0.00 N ATOM 807 CA GLU A 52 12.237 -30.541 -24.178 1.00 0.00 C ATOM 808 C GLU A 52 12.004 -31.797 -23.349 1.00 0.00 C ATOM 809 O GLU A 52 12.095 -32.914 -23.857 1.00 0.00 O ATOM 810 CB GLU A 52 13.691 -30.086 -24.036 1.00 0.00 C ATOM 811 CG GLU A 52 14.114 -29.012 -25.027 1.00 0.00 C ATOM 812 CD GLU A 52 15.530 -28.551 -24.822 1.00 0.00 C ATOM 813 OE1 GLU A 52 16.120 -28.924 -23.836 1.00 0.00 O ATOM 814 OE2 GLU A 52 16.024 -27.823 -25.651 1.00 0.00 O ATOM 0 H GLU A 52 11.781 -28.688 -23.311 1.00 0.00 H new ATOM 0 HA GLU A 52 12.036 -30.778 -25.223 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.844 -29.710 -23.024 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.343 -30.951 -24.156 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.006 -29.398 -26.041 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.443 -28.158 -24.938 1.00 0.00 H new ATOM 821 N THR A 53 11.702 -31.607 -22.069 1.00 0.00 N ATOM 822 CA THR A 53 11.509 -32.725 -21.153 1.00 0.00 C ATOM 823 C THR A 53 10.045 -32.866 -20.757 1.00 0.00 C ATOM 824 O THR A 53 9.577 -33.964 -20.456 1.00 0.00 O ATOM 825 CB THR A 53 12.373 -32.561 -19.889 1.00 0.00 C ATOM 826 OG1 THR A 53 11.973 -31.379 -19.183 1.00 0.00 O ATOM 827 CG2 THR A 53 13.845 -32.453 -20.259 1.00 0.00 C ATOM 0 H THR A 53 11.586 -30.688 -21.642 1.00 0.00 H new ATOM 0 HA THR A 53 11.819 -33.629 -21.677 1.00 0.00 H new ATOM 0 HB THR A 53 12.232 -33.436 -19.255 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.523 -31.277 -18.378 1.00 0.00 H new ATOM 0 HG21 THR A 53 14.440 -32.338 -19.353 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.155 -33.356 -20.785 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.995 -31.588 -20.905 1.00 0.00 H new ATOM 835 N GLY A 54 9.326 -31.749 -20.760 1.00 0.00 N ATOM 836 CA GLY A 54 7.935 -31.732 -20.326 1.00 0.00 C ATOM 837 C GLY A 54 7.831 -31.581 -18.813 1.00 0.00 C ATOM 838 O GLY A 54 6.743 -31.667 -18.244 1.00 0.00 O ATOM 0 H GLY A 54 9.685 -30.842 -21.059 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.409 -30.911 -20.813 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.443 -32.654 -20.637 1.00 0.00 H new ATOM 842 N LYS A 55 8.970 -31.354 -18.167 1.00 0.00 N ATOM 843 CA LYS A 55 9.020 -31.255 -16.714 1.00 0.00 C ATOM 844 C LYS A 55 9.106 -29.803 -16.263 1.00 0.00 C ATOM 845 O LYS A 55 9.741 -28.976 -16.918 1.00 0.00 O ATOM 846 CB LYS A 55 10.206 -32.048 -16.163 1.00 0.00 C ATOM 847 CG LYS A 55 10.121 -33.551 -16.395 1.00 0.00 C ATOM 848 CD LYS A 55 11.338 -34.267 -15.829 1.00 0.00 C ATOM 849 CE LYS A 55 11.263 -35.766 -16.076 1.00 0.00 C ATOM 850 NZ LYS A 55 12.470 -36.475 -15.570 1.00 0.00 N ATOM 0 H LYS A 55 9.872 -31.235 -18.628 1.00 0.00 H new ATOM 0 HA LYS A 55 8.097 -31.680 -16.320 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.122 -31.673 -16.620 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.286 -31.862 -15.092 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.217 -33.943 -15.929 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.042 -33.752 -17.463 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.243 -33.866 -16.285 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.409 -34.076 -14.758 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.375 -36.170 -15.590 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.154 -35.953 -17.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.379 -37.494 -15.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.316 -36.108 -16.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.560 -36.319 -14.546 1.00 0.00 H new ATOM 864 N PRO A 56 8.463 -29.498 -15.141 1.00 0.00 N ATOM 865 CA PRO A 56 8.512 -28.157 -14.570 1.00 0.00 C ATOM 866 C PRO A 56 9.949 -27.706 -14.345 1.00 0.00 C ATOM 867 O PRO A 56 10.807 -28.503 -13.963 1.00 0.00 O ATOM 868 CB PRO A 56 7.756 -28.318 -13.247 1.00 0.00 C ATOM 869 CG PRO A 56 6.825 -29.455 -13.494 1.00 0.00 C ATOM 870 CD PRO A 56 7.615 -30.408 -14.350 1.00 0.00 C ATOM 0 HA PRO A 56 8.077 -27.396 -15.217 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.437 -28.532 -12.423 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.214 -27.409 -12.985 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.514 -29.924 -12.560 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.919 -29.123 -14.001 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.209 -31.096 -13.749 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.969 -31.015 -14.984 1.00 0.00 H new ATOM 878 N LYS A 57 10.206 -26.425 -14.584 1.00 0.00 N ATOM 879 CA LYS A 57 11.520 -25.847 -14.329 1.00 0.00 C ATOM 880 C LYS A 57 11.716 -25.557 -12.846 1.00 0.00 C ATOM 881 O LYS A 57 12.839 -25.345 -12.388 1.00 0.00 O ATOM 882 CB LYS A 57 11.710 -24.567 -15.144 1.00 0.00 C ATOM 883 CG LYS A 57 11.814 -24.788 -16.647 1.00 0.00 C ATOM 884 CD LYS A 57 12.161 -23.497 -17.373 1.00 0.00 C ATOM 885 CE LYS A 57 12.224 -23.707 -18.879 1.00 0.00 C ATOM 886 NZ LYS A 57 12.561 -22.451 -19.602 1.00 0.00 N ATOM 0 H LYS A 57 9.521 -25.766 -14.954 1.00 0.00 H new ATOM 0 HA LYS A 57 12.270 -26.576 -14.636 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.874 -23.896 -14.945 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.613 -24.062 -14.800 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.575 -25.540 -16.854 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.869 -25.178 -17.026 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.416 -22.736 -17.141 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.121 -23.123 -17.016 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.969 -24.469 -19.108 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.264 -24.083 -19.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.594 -22.637 -20.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.837 -21.732 -19.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.488 -22.105 -19.283 1.00 0.00 H new ATOM 900 N GLY A 58 10.617 -25.550 -12.099 1.00 0.00 N ATOM 901 CA GLY A 58 10.680 -25.498 -10.644 1.00 0.00 C ATOM 902 C GLY A 58 10.309 -24.114 -10.126 1.00 0.00 C ATOM 903 O GLY A 58 10.613 -23.766 -8.985 1.00 0.00 O ATOM 0 H GLY A 58 9.671 -25.580 -12.479 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.004 -26.241 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.685 -25.756 -10.311 1.00 0.00 H new ATOM 907 N TYR A 59 9.649 -23.329 -10.971 1.00 0.00 N ATOM 908 CA TYR A 59 9.191 -22.000 -10.583 1.00 0.00 C ATOM 909 C TYR A 59 7.987 -21.570 -11.411 1.00 0.00 C ATOM 910 O TYR A 59 7.692 -22.162 -12.449 1.00 0.00 O ATOM 911 CB TYR A 59 10.324 -20.981 -10.724 1.00 0.00 C ATOM 912 CG TYR A 59 10.792 -20.781 -12.149 1.00 0.00 C ATOM 913 CD1 TYR A 59 10.181 -19.830 -12.952 1.00 0.00 C ATOM 914 CD2 TYR A 59 11.831 -21.549 -12.651 1.00 0.00 C ATOM 915 CE1 TYR A 59 10.608 -19.647 -14.253 1.00 0.00 C ATOM 916 CE2 TYR A 59 12.258 -21.367 -13.952 1.00 0.00 C ATOM 917 CZ TYR A 59 11.650 -20.420 -14.752 1.00 0.00 C ATOM 918 OH TYR A 59 12.076 -20.238 -16.048 1.00 0.00 O ATOM 0 H TYR A 59 9.419 -23.591 -11.930 1.00 0.00 H new ATOM 0 HA TYR A 59 8.885 -22.043 -9.538 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.991 -20.024 -10.323 1.00 0.00 H new ATOM 0 HB3 TYR A 59 11.169 -21.305 -10.116 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.371 -19.232 -12.560 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.307 -22.290 -12.025 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.134 -18.906 -14.880 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.067 -21.965 -14.343 1.00 0.00 H new ATOM 0 HH TYR A 59 12.812 -20.856 -16.240 1.00 0.00 H new ATOM 928 N GLY A 60 7.295 -20.535 -10.946 1.00 0.00 N ATOM 929 CA GLY A 60 6.145 -19.999 -11.663 1.00 0.00 C ATOM 930 C GLY A 60 5.553 -18.798 -10.935 1.00 0.00 C ATOM 931 O GLY A 60 6.148 -18.277 -9.992 1.00 0.00 O ATOM 0 H GLY A 60 7.511 -20.051 -10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.445 -19.706 -12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.386 -20.774 -11.769 1.00 0.00 H new ATOM 935 N PHE A 61 4.378 -18.364 -11.378 1.00 0.00 N ATOM 936 CA PHE A 61 3.703 -17.225 -10.768 1.00 0.00 C ATOM 937 C PHE A 61 2.290 -17.592 -10.333 1.00 0.00 C ATOM 938 O PHE A 61 1.629 -18.416 -10.965 1.00 0.00 O ATOM 939 CB PHE A 61 3.652 -16.048 -11.745 1.00 0.00 C ATOM 940 CG PHE A 61 4.987 -15.406 -11.990 1.00 0.00 C ATOM 941 CD1 PHE A 61 5.855 -15.919 -12.943 1.00 0.00 C ATOM 942 CD2 PHE A 61 5.379 -14.288 -11.269 1.00 0.00 C ATOM 943 CE1 PHE A 61 7.084 -15.328 -13.169 1.00 0.00 C ATOM 944 CE2 PHE A 61 6.606 -13.696 -11.494 1.00 0.00 C ATOM 945 CZ PHE A 61 7.460 -14.217 -12.445 1.00 0.00 C ATOM 0 H PHE A 61 3.873 -18.784 -12.158 1.00 0.00 H new ATOM 0 HA PHE A 61 4.273 -16.935 -9.885 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.246 -16.394 -12.695 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.963 -15.297 -11.359 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.567 -16.789 -13.514 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.717 -13.875 -10.522 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.750 -15.737 -13.914 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.898 -12.825 -10.926 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.420 -13.755 -12.621 1.00 0.00 H new ATOM 955 N CYS A 62 1.832 -16.975 -9.249 1.00 0.00 N ATOM 956 CA CYS A 62 0.500 -17.243 -8.719 1.00 0.00 C ATOM 957 C CYS A 62 -0.220 -15.951 -8.358 1.00 0.00 C ATOM 958 O CYS A 62 0.289 -15.141 -7.583 1.00 0.00 O ATOM 959 CB CYS A 62 0.583 -18.137 -7.482 1.00 0.00 C ATOM 960 SG CYS A 62 -1.026 -18.622 -6.812 1.00 0.00 S ATOM 0 H CYS A 62 2.365 -16.285 -8.719 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.065 -17.754 -9.499 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.146 -19.036 -7.734 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.145 -17.616 -6.707 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.240 -17.990 -5.696 1.00 0.00 H new ATOM 966 N GLU A 63 -1.407 -15.762 -8.925 1.00 0.00 N ATOM 967 CA GLU A 63 -2.188 -14.554 -8.685 1.00 0.00 C ATOM 968 C GLU A 63 -3.270 -14.796 -7.641 1.00 0.00 C ATOM 969 O GLU A 63 -3.937 -15.831 -7.652 1.00 0.00 O ATOM 970 CB GLU A 63 -2.823 -14.062 -9.987 1.00 0.00 C ATOM 971 CG GLU A 63 -1.823 -13.632 -11.051 1.00 0.00 C ATOM 972 CD GLU A 63 -2.481 -13.083 -12.286 1.00 0.00 C ATOM 973 OE1 GLU A 63 -3.668 -13.257 -12.430 1.00 0.00 O ATOM 974 OE2 GLU A 63 -1.798 -12.490 -13.086 1.00 0.00 O ATOM 0 H GLU A 63 -1.850 -16.431 -9.555 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.510 -13.789 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.449 -14.856 -10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.480 -13.222 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.158 -12.876 -10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.203 -14.485 -11.325 1.00 0.00 H new ATOM 981 N TYR A 64 -3.440 -13.836 -6.738 1.00 0.00 N ATOM 982 CA TYR A 64 -4.475 -13.921 -5.714 1.00 0.00 C ATOM 983 C TYR A 64 -5.464 -12.769 -5.834 1.00 0.00 C ATOM 984 O TYR A 64 -5.159 -11.736 -6.429 1.00 0.00 O ATOM 985 CB TYR A 64 -3.846 -13.939 -4.319 1.00 0.00 C ATOM 986 CG TYR A 64 -3.062 -15.197 -4.018 1.00 0.00 C ATOM 987 CD1 TYR A 64 -1.768 -15.339 -4.499 1.00 0.00 C ATOM 988 CD2 TYR A 64 -3.636 -16.208 -3.262 1.00 0.00 C ATOM 989 CE1 TYR A 64 -1.052 -16.488 -4.225 1.00 0.00 C ATOM 990 CE2 TYR A 64 -2.919 -17.356 -2.988 1.00 0.00 C ATOM 991 CZ TYR A 64 -1.633 -17.498 -3.466 1.00 0.00 C ATOM 992 OH TYR A 64 -0.919 -18.642 -3.193 1.00 0.00 O ATOM 0 H TYR A 64 -2.873 -12.989 -6.695 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.021 -14.852 -5.865 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.186 -13.078 -4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.634 -13.826 -3.574 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.321 -14.551 -5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.643 -16.098 -2.888 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.045 -16.602 -4.599 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.366 -18.143 -2.399 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.528 -19.338 -2.869 1.00 0.00 H new ATOM 1002 N GLN A 65 -6.650 -12.954 -5.264 1.00 0.00 N ATOM 1003 CA GLN A 65 -7.694 -11.937 -5.321 1.00 0.00 C ATOM 1004 C GLN A 65 -7.325 -10.722 -4.480 1.00 0.00 C ATOM 1005 O GLN A 65 -7.506 -9.581 -4.907 1.00 0.00 O ATOM 1006 CB GLN A 65 -9.031 -12.514 -4.849 1.00 0.00 C ATOM 1007 CG GLN A 65 -10.196 -11.543 -4.943 1.00 0.00 C ATOM 1008 CD GLN A 65 -10.487 -11.126 -6.372 1.00 0.00 C ATOM 1009 OE1 GLN A 65 -10.616 -11.967 -7.266 1.00 0.00 O ATOM 1010 NE2 GLN A 65 -10.592 -9.821 -6.597 1.00 0.00 N ATOM 0 H GLN A 65 -6.912 -13.799 -4.757 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.792 -11.618 -6.359 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.262 -13.399 -5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.928 -12.841 -3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.085 -12.004 -4.514 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.977 -10.658 -4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.478 -9.160 -5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.787 -9.480 -7.538 1.00 0.00 H new ATOM 1019 N ASP A 66 -6.808 -10.973 -3.282 1.00 0.00 N ATOM 1020 CA ASP A 66 -6.465 -9.900 -2.356 1.00 0.00 C ATOM 1021 C ASP A 66 -4.963 -9.848 -2.105 1.00 0.00 C ATOM 1022 O ASP A 66 -4.284 -10.874 -2.129 1.00 0.00 O ATOM 1023 CB ASP A 66 -7.204 -10.082 -1.028 1.00 0.00 C ATOM 1024 CG ASP A 66 -8.710 -9.899 -1.157 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -9.131 -9.237 -2.076 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -9.424 -10.424 -0.337 1.00 0.00 O ATOM 0 H ASP A 66 -6.617 -11.911 -2.929 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.772 -8.959 -2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.997 -11.078 -0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.817 -9.367 -0.302 1.00 0.00 H new ATOM 1031 N GLN A 67 -4.450 -8.646 -1.866 1.00 0.00 N ATOM 1032 CA GLN A 67 -3.031 -8.461 -1.588 1.00 0.00 C ATOM 1033 C GLN A 67 -2.637 -9.118 -0.272 1.00 0.00 C ATOM 1034 O GLN A 67 -1.538 -9.657 -0.140 1.00 0.00 O ATOM 1035 CB GLN A 67 -2.682 -6.970 -1.553 1.00 0.00 C ATOM 1036 CG GLN A 67 -1.200 -6.682 -1.387 1.00 0.00 C ATOM 1037 CD GLN A 67 -0.383 -7.150 -2.576 1.00 0.00 C ATOM 1038 OE1 GLN A 67 -0.676 -6.803 -3.724 1.00 0.00 O ATOM 1039 NE2 GLN A 67 0.649 -7.942 -2.309 1.00 0.00 N ATOM 0 H GLN A 67 -4.996 -7.785 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.470 -8.939 -2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.030 -6.505 -2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.226 -6.500 -0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.054 -5.611 -1.249 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.836 -7.172 -0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.855 -8.204 -1.345 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.236 -8.288 -3.068 1.00 0.00 H new ATOM 1048 N GLU A 68 -3.540 -9.070 0.702 1.00 0.00 N ATOM 1049 CA GLU A 68 -3.290 -9.665 2.009 1.00 0.00 C ATOM 1050 C GLU A 68 -3.190 -11.182 1.914 1.00 0.00 C ATOM 1051 O GLU A 68 -2.405 -11.808 2.627 1.00 0.00 O ATOM 1052 CB GLU A 68 -4.397 -9.277 2.992 1.00 0.00 C ATOM 1053 CG GLU A 68 -4.219 -9.843 4.394 1.00 0.00 C ATOM 1054 CD GLU A 68 -2.973 -9.347 5.072 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -2.492 -8.304 4.699 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -2.501 -10.013 5.963 1.00 0.00 O ATOM 0 H GLU A 68 -4.453 -8.624 0.610 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.337 -9.281 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.445 -8.190 3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.354 -9.616 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.086 -9.579 5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.188 -10.931 4.340 1.00 0.00 H new ATOM 1063 N THR A 69 -3.991 -11.768 1.031 1.00 0.00 N ATOM 1064 CA THR A 69 -3.971 -13.211 0.818 1.00 0.00 C ATOM 1065 C THR A 69 -2.761 -13.630 -0.006 1.00 0.00 C ATOM 1066 O THR A 69 -2.270 -14.752 0.120 1.00 0.00 O ATOM 1067 CB THR A 69 -5.260 -13.686 0.123 1.00 0.00 C ATOM 1068 OG1 THR A 69 -5.385 -13.040 -1.151 1.00 0.00 O ATOM 1069 CG2 THR A 69 -6.478 -13.360 0.974 1.00 0.00 C ATOM 0 H THR A 69 -4.663 -11.266 0.451 1.00 0.00 H new ATOM 0 HA THR A 69 -3.906 -13.681 1.799 1.00 0.00 H new ATOM 0 HB THR A 69 -5.204 -14.766 -0.013 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.750 -12.295 -1.204 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.379 -13.703 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.392 -13.860 1.939 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.536 -12.283 1.128 1.00 0.00 H new ATOM 1077 N ALA A 70 -2.283 -12.721 -0.850 1.00 0.00 N ATOM 1078 CA ALA A 70 -1.021 -12.919 -1.554 1.00 0.00 C ATOM 1079 C ALA A 70 0.159 -12.879 -0.591 1.00 0.00 C ATOM 1080 O ALA A 70 1.068 -13.704 -0.675 1.00 0.00 O ATOM 1081 CB ALA A 70 -0.852 -11.868 -2.641 1.00 0.00 C ATOM 0 H ALA A 70 -2.751 -11.840 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.045 -13.905 -2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.094 -12.028 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.673 -11.947 -3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.856 -10.875 -2.191 1.00 0.00 H new ATOM 1087 N LEU A 71 0.138 -11.915 0.323 1.00 0.00 N ATOM 1088 CA LEU A 71 1.180 -11.798 1.337 1.00 0.00 C ATOM 1089 C LEU A 71 1.100 -12.939 2.343 1.00 0.00 C ATOM 1090 O LEU A 71 2.122 -13.423 2.829 1.00 0.00 O ATOM 1091 CB LEU A 71 1.059 -10.455 2.067 1.00 0.00 C ATOM 1092 CG LEU A 71 1.376 -9.210 1.228 1.00 0.00 C ATOM 1093 CD1 LEU A 71 1.042 -7.959 2.029 1.00 0.00 C ATOM 1094 CD2 LEU A 71 2.844 -9.228 0.828 1.00 0.00 C ATOM 0 H LEU A 71 -0.590 -11.203 0.383 1.00 0.00 H new ATOM 0 HA LEU A 71 2.145 -11.851 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.044 -10.362 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.726 -10.469 2.929 1.00 0.00 H new ATOM 0 HG LEU A 71 0.772 -9.208 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.267 -7.075 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.017 -7.963 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.637 -7.942 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.070 -8.344 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.465 -9.230 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.050 -10.123 0.241 1.00 0.00 H new ATOM 1106 N SER A 72 -0.120 -13.366 2.650 1.00 0.00 N ATOM 1107 CA SER A 72 -0.332 -14.537 3.492 1.00 0.00 C ATOM 1108 C SER A 72 0.222 -15.795 2.836 1.00 0.00 C ATOM 1109 O SER A 72 0.845 -16.627 3.494 1.00 0.00 O ATOM 1110 CB SER A 72 -1.811 -14.714 3.777 1.00 0.00 C ATOM 1111 OG SER A 72 -2.305 -13.650 4.544 1.00 0.00 O ATOM 0 H SER A 72 -0.978 -12.918 2.328 1.00 0.00 H new ATOM 0 HA SER A 72 0.201 -14.378 4.430 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.361 -14.776 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.974 -15.654 4.305 1.00 0.00 H new ATOM 0 HG SER A 72 -2.630 -12.942 3.950 1.00 0.00 H new ATOM 1117 N ALA A 73 -0.010 -15.928 1.534 1.00 0.00 N ATOM 1118 CA ALA A 73 0.560 -17.027 0.763 1.00 0.00 C ATOM 1119 C ALA A 73 2.082 -17.016 0.831 1.00 0.00 C ATOM 1120 O ALA A 73 2.711 -18.059 1.012 1.00 0.00 O ATOM 1121 CB ALA A 73 0.095 -16.955 -0.684 1.00 0.00 C ATOM 0 H ALA A 73 -0.589 -15.288 0.991 1.00 0.00 H new ATOM 0 HA ALA A 73 0.210 -17.962 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.529 -17.782 -1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.992 -17.022 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.415 -16.010 -1.122 1.00 0.00 H new ATOM 1127 N MET A 74 2.668 -15.833 0.686 1.00 0.00 N ATOM 1128 CA MET A 74 4.106 -15.664 0.854 1.00 0.00 C ATOM 1129 C MET A 74 4.563 -16.159 2.220 1.00 0.00 C ATOM 1130 O MET A 74 5.510 -16.938 2.324 1.00 0.00 O ATOM 1131 CB MET A 74 4.492 -14.199 0.662 1.00 0.00 C ATOM 1132 CG MET A 74 5.962 -13.896 0.915 1.00 0.00 C ATOM 1133 SD MET A 74 6.321 -12.128 0.891 1.00 0.00 S ATOM 1134 CE MET A 74 5.467 -11.589 2.369 1.00 0.00 C ATOM 0 H MET A 74 2.168 -14.975 0.452 1.00 0.00 H new ATOM 0 HA MET A 74 4.608 -16.264 0.095 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.243 -13.901 -0.356 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.887 -13.586 1.331 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.253 -14.309 1.881 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.567 -14.396 0.159 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.869 -10.628 2.692 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.403 -11.484 2.157 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.609 -12.325 3.160 1.00 0.00 H new ATOM 1144 N ARG A 75 3.884 -15.702 3.267 1.00 0.00 N ATOM 1145 CA ARG A 75 4.314 -15.966 4.635 1.00 0.00 C ATOM 1146 C ARG A 75 4.030 -17.409 5.032 1.00 0.00 C ATOM 1147 O ARG A 75 4.662 -17.948 5.941 1.00 0.00 O ATOM 1148 CB ARG A 75 3.615 -15.028 5.607 1.00 0.00 C ATOM 1149 CG ARG A 75 4.013 -13.566 5.483 1.00 0.00 C ATOM 1150 CD ARG A 75 3.178 -12.695 6.350 1.00 0.00 C ATOM 1151 NE ARG A 75 1.799 -12.636 5.893 1.00 0.00 N ATOM 1152 CZ ARG A 75 0.876 -11.771 6.357 1.00 0.00 C ATOM 1153 NH1 ARG A 75 1.199 -10.902 7.288 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -0.355 -11.798 5.875 1.00 0.00 N ATOM 0 H ARG A 75 3.032 -15.146 3.194 1.00 0.00 H new ATOM 0 HA ARG A 75 5.390 -15.795 4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.538 -15.110 5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.823 -15.361 6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.063 -13.450 5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.914 -13.249 4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.205 -13.069 7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.598 -11.689 6.366 1.00 0.00 H new ATOM 0 HE ARG A 75 1.510 -13.296 5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.149 -10.882 7.660 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.500 -10.247 7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.605 -12.473 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.054 -11.144 6.226 1.00 0.00 H new ATOM 1168 N ASN A 76 3.077 -18.030 4.347 1.00 0.00 N ATOM 1169 CA ASN A 76 2.657 -19.387 4.674 1.00 0.00 C ATOM 1170 C ASN A 76 3.397 -20.413 3.825 1.00 0.00 C ATOM 1171 O ASN A 76 3.969 -21.369 4.347 1.00 0.00 O ATOM 1172 CB ASN A 76 1.156 -19.538 4.506 1.00 0.00 C ATOM 1173 CG ASN A 76 0.380 -18.829 5.581 1.00 0.00 C ATOM 1174 OD1 ASN A 76 0.912 -18.539 6.659 1.00 0.00 O ATOM 1175 ND2 ASN A 76 -0.867 -18.544 5.309 1.00 0.00 N ATOM 0 H ASN A 76 2.580 -17.614 3.560 1.00 0.00 H new ATOM 0 HA ASN A 76 2.909 -19.572 5.718 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.862 -19.146 3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.898 -20.597 4.515 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.443 -18.063 6.000 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.264 -18.803 4.406 1.00 0.00 H new ATOM 1182 N LEU A 77 3.382 -20.207 2.512 1.00 0.00 N ATOM 1183 CA LEU A 77 3.923 -21.187 1.577 1.00 0.00 C ATOM 1184 C LEU A 77 5.443 -21.237 1.649 1.00 0.00 C ATOM 1185 O LEU A 77 6.049 -22.295 1.476 1.00 0.00 O ATOM 1186 CB LEU A 77 3.482 -20.854 0.146 1.00 0.00 C ATOM 1187 CG LEU A 77 1.983 -21.005 -0.140 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.680 -20.498 -1.544 1.00 0.00 C ATOM 1189 CD2 LEU A 77 1.581 -22.465 0.012 1.00 0.00 C ATOM 0 H LEU A 77 3.001 -19.370 2.071 1.00 0.00 H new ATOM 0 HA LEU A 77 3.534 -22.166 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.774 -19.827 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.031 -21.496 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 77 1.407 -20.414 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.615 -20.605 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.960 -19.447 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.248 -21.078 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.515 -22.572 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.148 -23.074 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.791 -22.796 1.029 1.00 0.00 H new ATOM 1201 N ASN A 78 6.056 -20.086 1.905 1.00 0.00 N ATOM 1202 CA ASN A 78 7.509 -19.995 1.996 1.00 0.00 C ATOM 1203 C ASN A 78 8.032 -20.748 3.213 1.00 0.00 C ATOM 1204 O ASN A 78 7.848 -20.313 4.350 1.00 0.00 O ATOM 1205 CB ASN A 78 7.952 -18.544 2.034 1.00 0.00 C ATOM 1206 CG ASN A 78 9.446 -18.395 1.974 1.00 0.00 C ATOM 1207 OD1 ASN A 78 10.183 -19.117 2.655 1.00 0.00 O ATOM 1208 ND2 ASN A 78 9.909 -17.470 1.172 1.00 0.00 N ATOM 0 H ASN A 78 5.569 -19.202 2.053 1.00 0.00 H new ATOM 0 HA ASN A 78 7.931 -20.462 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.503 -18.009 1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.580 -18.078 2.947 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.915 -17.322 1.091 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.264 -16.897 0.628 1.00 0.00 H new ATOM 1215 N GLY A 79 8.685 -21.878 2.967 1.00 0.00 N ATOM 1216 CA GLY A 79 9.167 -22.734 4.044 1.00 0.00 C ATOM 1217 C GLY A 79 8.452 -24.079 4.042 1.00 0.00 C ATOM 1218 O GLY A 79 8.873 -25.018 4.717 1.00 0.00 O ATOM 0 H GLY A 79 8.893 -22.223 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.240 -22.890 3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.012 -22.239 5.003 1.00 0.00 H new ATOM 1222 N ARG A 80 7.369 -24.166 3.278 1.00 0.00 N ATOM 1223 CA ARG A 80 6.617 -25.409 3.153 1.00 0.00 C ATOM 1224 C ARG A 80 7.443 -26.485 2.460 1.00 0.00 C ATOM 1225 O ARG A 80 7.574 -26.489 1.236 1.00 0.00 O ATOM 1226 CB ARG A 80 5.330 -25.180 2.373 1.00 0.00 C ATOM 1227 CG ARG A 80 4.394 -26.376 2.319 1.00 0.00 C ATOM 1228 CD ARG A 80 3.082 -26.021 1.719 1.00 0.00 C ATOM 1229 NE ARG A 80 2.124 -27.109 1.827 1.00 0.00 N ATOM 1230 CZ ARG A 80 0.796 -26.979 1.641 1.00 0.00 C ATOM 1231 NH1 ARG A 80 0.285 -25.806 1.340 1.00 0.00 N ATOM 1232 NH2 ARG A 80 0.006 -28.032 1.762 1.00 0.00 N ATOM 0 H ARG A 80 6.992 -23.389 2.735 1.00 0.00 H new ATOM 0 HA ARG A 80 6.374 -25.748 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.797 -24.340 2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.586 -24.891 1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.856 -27.174 1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.241 -26.764 3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.684 -25.136 2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.221 -25.763 0.669 1.00 0.00 H new ATOM 0 HE ARG A 80 2.482 -28.035 2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.894 -24.993 1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.721 -25.709 1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.402 -28.942 1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.999 -27.934 1.621 1.00 0.00 H new ATOM 1246 N GLU A 81 7.998 -27.397 3.250 1.00 0.00 N ATOM 1247 CA GLU A 81 8.950 -28.376 2.739 1.00 0.00 C ATOM 1248 C GLU A 81 8.235 -29.580 2.139 1.00 0.00 C ATOM 1249 O GLU A 81 7.375 -30.185 2.779 1.00 0.00 O ATOM 1250 CB GLU A 81 9.894 -28.835 3.853 1.00 0.00 C ATOM 1251 CG GLU A 81 10.984 -29.795 3.398 1.00 0.00 C ATOM 1252 CD GLU A 81 11.902 -30.208 4.514 1.00 0.00 C ATOM 1253 OE1 GLU A 81 11.698 -29.768 5.620 1.00 0.00 O ATOM 1254 OE2 GLU A 81 12.810 -30.965 4.260 1.00 0.00 O ATOM 0 H GLU A 81 7.805 -27.479 4.248 1.00 0.00 H new ATOM 0 HA GLU A 81 9.531 -27.895 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.362 -27.958 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.307 -29.316 4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.522 -30.683 2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.569 -29.324 2.608 1.00 0.00 H new ATOM 1261 N PHE A 82 8.594 -29.922 0.906 1.00 0.00 N ATOM 1262 CA PHE A 82 8.106 -31.143 0.277 1.00 0.00 C ATOM 1263 C PHE A 82 9.202 -32.197 0.195 1.00 0.00 C ATOM 1264 O PHE A 82 10.362 -31.926 0.505 1.00 0.00 O ATOM 1265 CB PHE A 82 7.572 -30.844 -1.125 1.00 0.00 C ATOM 1266 CG PHE A 82 6.372 -29.941 -1.138 1.00 0.00 C ATOM 1267 CD1 PHE A 82 6.481 -28.624 -1.558 1.00 0.00 C ATOM 1268 CD2 PHE A 82 5.131 -30.406 -0.728 1.00 0.00 C ATOM 1269 CE1 PHE A 82 5.377 -27.792 -1.570 1.00 0.00 C ATOM 1270 CE2 PHE A 82 4.026 -29.577 -0.739 1.00 0.00 C ATOM 1271 CZ PHE A 82 4.150 -28.268 -1.161 1.00 0.00 C ATOM 0 H PHE A 82 9.222 -29.370 0.322 1.00 0.00 H new ATOM 0 HA PHE A 82 7.297 -31.534 0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.366 -30.386 -1.716 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.313 -31.784 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.439 -28.244 -1.879 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.027 -31.429 -0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.476 -26.768 -1.900 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.066 -29.952 -0.418 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.287 -27.619 -1.171 1.00 0.00 H new ATOM 1281 N SER A 83 8.827 -33.401 -0.225 1.00 0.00 N ATOM 1282 CA SER A 83 9.764 -34.517 -0.284 1.00 0.00 C ATOM 1283 C SER A 83 10.788 -34.318 -1.393 1.00 0.00 C ATOM 1284 O SER A 83 11.805 -35.011 -1.444 1.00 0.00 O ATOM 1285 CB SER A 83 9.014 -35.817 -0.503 1.00 0.00 C ATOM 1286 OG SER A 83 8.425 -35.849 -1.774 1.00 0.00 O ATOM 0 H SER A 83 7.881 -33.629 -0.530 1.00 0.00 H new ATOM 0 HA SER A 83 10.295 -34.561 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.698 -36.658 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.245 -35.930 0.261 1.00 0.00 H new ATOM 0 HG SER A 83 7.949 -36.697 -1.893 1.00 0.00 H new ATOM 1292 N GLY A 84 10.515 -33.369 -2.281 1.00 0.00 N ATOM 1293 CA GLY A 84 11.389 -33.108 -3.419 1.00 0.00 C ATOM 1294 C GLY A 84 12.093 -31.765 -3.276 1.00 0.00 C ATOM 1295 O GLY A 84 13.304 -31.664 -3.473 1.00 0.00 O ATOM 0 H GLY A 84 9.693 -32.766 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.130 -33.903 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.805 -33.119 -4.339 1.00 0.00 H new ATOM 1299 N ARG A 85 11.327 -30.735 -2.934 1.00 0.00 N ATOM 1300 CA ARG A 85 11.861 -29.382 -2.835 1.00 0.00 C ATOM 1301 C ARG A 85 11.244 -28.630 -1.663 1.00 0.00 C ATOM 1302 O ARG A 85 10.107 -28.895 -1.272 1.00 0.00 O ATOM 1303 CB ARG A 85 11.605 -28.610 -4.121 1.00 0.00 C ATOM 1304 CG ARG A 85 12.322 -29.153 -5.347 1.00 0.00 C ATOM 1305 CD ARG A 85 13.788 -28.926 -5.270 1.00 0.00 C ATOM 1306 NE ARG A 85 14.464 -29.335 -6.491 1.00 0.00 N ATOM 1307 CZ ARG A 85 14.903 -30.584 -6.741 1.00 0.00 C ATOM 1308 NH1 ARG A 85 14.729 -31.533 -5.848 1.00 0.00 N ATOM 1309 NH2 ARG A 85 15.508 -30.856 -7.884 1.00 0.00 N ATOM 0 H ARG A 85 10.333 -30.812 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 85 12.935 -29.466 -2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.533 -28.605 -4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.906 -27.573 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.123 -30.221 -5.442 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.926 -28.674 -6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.983 -27.870 -5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.197 -29.480 -4.425 1.00 0.00 H new ATOM 0 HE ARG A 85 14.616 -28.626 -7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.262 -31.324 -4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.061 -32.479 -6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.643 -30.120 -8.577 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.840 -31.802 -8.073 1.00 0.00 H new ATOM 1323 N ALA A 86 12.000 -27.690 -1.105 1.00 0.00 N ATOM 1324 CA ALA A 86 11.487 -26.815 -0.058 1.00 0.00 C ATOM 1325 C ALA A 86 10.875 -25.551 -0.648 1.00 0.00 C ATOM 1326 O ALA A 86 11.588 -24.673 -1.133 1.00 0.00 O ATOM 1327 CB ALA A 86 12.593 -26.459 0.924 1.00 0.00 C ATOM 0 H ALA A 86 12.972 -27.515 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 86 10.702 -27.352 0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.194 -25.805 1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.981 -27.369 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.397 -25.947 0.396 1.00 0.00 H new ATOM 1333 N LEU A 87 9.549 -25.465 -0.603 1.00 0.00 N ATOM 1334 CA LEU A 87 8.824 -24.433 -1.334 1.00 0.00 C ATOM 1335 C LEU A 87 9.245 -23.040 -0.885 1.00 0.00 C ATOM 1336 O LEU A 87 9.260 -22.740 0.309 1.00 0.00 O ATOM 1337 CB LEU A 87 7.313 -24.606 -1.135 1.00 0.00 C ATOM 1338 CG LEU A 87 6.420 -23.726 -2.020 1.00 0.00 C ATOM 1339 CD1 LEU A 87 6.559 -24.160 -3.473 1.00 0.00 C ATOM 1340 CD2 LEU A 87 4.977 -23.835 -1.552 1.00 0.00 C ATOM 0 H LEU A 87 8.955 -26.098 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 87 9.065 -24.540 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.058 -25.650 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.076 -24.398 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 87 6.729 -22.684 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.925 -23.535 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.598 -24.054 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.254 -25.202 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.342 -23.210 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.649 -24.872 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.904 -23.501 -0.517 1.00 0.00 H new ATOM 1352 N ARG A 88 9.588 -22.191 -1.848 1.00 0.00 N ATOM 1353 CA ARG A 88 9.910 -20.798 -1.563 1.00 0.00 C ATOM 1354 C ARG A 88 9.000 -19.853 -2.338 1.00 0.00 C ATOM 1355 O ARG A 88 8.956 -19.888 -3.567 1.00 0.00 O ATOM 1356 CB ARG A 88 11.360 -20.501 -1.913 1.00 0.00 C ATOM 1357 CG ARG A 88 11.772 -19.046 -1.754 1.00 0.00 C ATOM 1358 CD ARG A 88 13.203 -18.839 -2.093 1.00 0.00 C ATOM 1359 NE ARG A 88 13.555 -17.429 -2.124 1.00 0.00 N ATOM 1360 CZ ARG A 88 14.811 -16.956 -2.239 1.00 0.00 C ATOM 1361 NH1 ARG A 88 15.822 -17.792 -2.334 1.00 0.00 N ATOM 1362 NH2 ARG A 88 15.028 -15.653 -2.257 1.00 0.00 N ATOM 0 H ARG A 88 9.650 -22.444 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 88 9.755 -20.638 -0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.004 -21.116 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 88 11.539 -20.803 -2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 88 11.152 -18.420 -2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 88 11.592 -18.727 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.827 -19.353 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.414 -19.287 -3.064 1.00 0.00 H new ATOM 0 HE ARG A 88 12.797 -16.750 -2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.655 -18.798 -2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.773 -17.434 -2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.244 -15.004 -2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.979 -15.296 -2.344 1.00 0.00 H new ATOM 1376 N VAL A 89 8.274 -19.010 -1.611 1.00 0.00 N ATOM 1377 CA VAL A 89 7.378 -18.041 -2.229 1.00 0.00 C ATOM 1378 C VAL A 89 7.695 -16.624 -1.766 1.00 0.00 C ATOM 1379 O VAL A 89 7.742 -16.349 -0.567 1.00 0.00 O ATOM 1380 CB VAL A 89 5.913 -18.374 -1.889 1.00 0.00 C ATOM 1381 CG1 VAL A 89 4.977 -17.340 -2.497 1.00 0.00 C ATOM 1382 CG2 VAL A 89 5.571 -19.770 -2.387 1.00 0.00 C ATOM 0 H VAL A 89 8.289 -18.979 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 89 7.524 -18.096 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 89 5.786 -18.349 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.946 -17.591 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.217 -16.354 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.096 -17.334 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.534 -19.999 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.708 -19.815 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.226 -20.498 -1.908 1.00 0.00 H new ATOM 1392 N ASP A 90 7.911 -15.728 -2.723 1.00 0.00 N ATOM 1393 CA ASP A 90 8.213 -14.336 -2.415 1.00 0.00 C ATOM 1394 C ASP A 90 7.279 -13.391 -3.160 1.00 0.00 C ATOM 1395 O ASP A 90 6.864 -13.672 -4.284 1.00 0.00 O ATOM 1396 CB ASP A 90 9.666 -14.011 -2.770 1.00 0.00 C ATOM 1397 CG ASP A 90 10.670 -14.802 -1.941 1.00 0.00 C ATOM 1398 OD1 ASP A 90 10.522 -14.840 -0.742 1.00 0.00 O ATOM 1399 OD2 ASP A 90 11.574 -15.361 -2.515 1.00 0.00 O ATOM 0 H ASP A 90 7.882 -15.942 -3.720 1.00 0.00 H new ATOM 0 HA ASP A 90 8.065 -14.195 -1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.832 -14.219 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.841 -12.945 -2.623 1.00 0.00 H new ATOM 1404 N ASN A 91 6.951 -12.270 -2.527 1.00 0.00 N ATOM 1405 CA ASN A 91 6.112 -11.255 -3.152 1.00 0.00 C ATOM 1406 C ASN A 91 6.723 -10.762 -4.457 1.00 0.00 C ATOM 1407 O ASN A 91 7.880 -10.344 -4.493 1.00 0.00 O ATOM 1408 CB ASN A 91 5.878 -10.096 -2.200 1.00 0.00 C ATOM 1409 CG ASN A 91 4.881 -9.104 -2.732 1.00 0.00 C ATOM 1410 OD1 ASN A 91 3.821 -9.484 -3.242 1.00 0.00 O ATOM 1411 ND2 ASN A 91 5.200 -7.839 -2.622 1.00 0.00 N ATOM 0 H ASN A 91 7.254 -12.041 -1.580 1.00 0.00 H new ATOM 0 HA ASN A 91 5.150 -11.712 -3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.526 -10.482 -1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.824 -9.589 -2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.562 -7.121 -2.965 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.086 -7.572 -2.194 1.00 0.00 H new ATOM 1418 N ALA A 92 5.939 -10.814 -5.528 1.00 0.00 N ATOM 1419 CA ALA A 92 6.426 -10.448 -6.853 1.00 0.00 C ATOM 1420 C ALA A 92 6.747 -8.961 -6.931 1.00 0.00 C ATOM 1421 O ALA A 92 6.030 -8.131 -6.372 1.00 0.00 O ATOM 1422 CB ALA A 92 5.405 -10.826 -7.916 1.00 0.00 C ATOM 0 H ALA A 92 4.962 -11.106 -5.504 1.00 0.00 H new ATOM 0 HA ALA A 92 7.347 -11.001 -7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.783 -10.546 -8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.230 -11.902 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.469 -10.301 -7.724 1.00 0.00 H new ATOM 1428 N ALA A 93 7.829 -8.630 -7.628 1.00 0.00 N ATOM 1429 CA ALA A 93 8.232 -7.240 -7.803 1.00 0.00 C ATOM 1430 C ALA A 93 7.249 -6.490 -8.692 1.00 0.00 C ATOM 1431 O ALA A 93 6.652 -7.068 -9.601 1.00 0.00 O ATOM 1432 CB ALA A 93 9.635 -7.165 -8.386 1.00 0.00 C ATOM 0 H ALA A 93 8.443 -9.307 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 93 8.232 -6.763 -6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.922 -6.121 -8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.336 -7.656 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.654 -7.665 -9.355 1.00 0.00 H new ATOM 1438 N SER A 94 7.083 -5.199 -8.425 1.00 0.00 N ATOM 1439 CA SER A 94 6.147 -4.374 -9.179 1.00 0.00 C ATOM 1440 C SER A 94 6.554 -4.279 -10.644 1.00 0.00 C ATOM 1441 O SER A 94 5.705 -4.158 -11.527 1.00 0.00 O ATOM 1442 CB SER A 94 6.072 -2.985 -8.575 1.00 0.00 C ATOM 1443 OG SER A 94 7.290 -2.308 -8.719 1.00 0.00 O ATOM 0 H SER A 94 7.586 -4.701 -7.691 1.00 0.00 H new ATOM 0 HA SER A 94 5.165 -4.845 -9.126 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.277 -2.417 -9.058 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.815 -3.058 -7.518 1.00 0.00 H new ATOM 0 HG SER A 94 7.216 -1.414 -8.324 1.00 0.00 H new ATOM 1449 N GLU A 95 7.857 -4.335 -10.896 1.00 0.00 N ATOM 1450 CA GLU A 95 8.376 -4.297 -12.258 1.00 0.00 C ATOM 1451 C GLU A 95 8.115 -5.611 -12.984 1.00 0.00 C ATOM 1452 O GLU A 95 7.850 -5.625 -14.186 1.00 0.00 O ATOM 1453 CB GLU A 95 9.877 -3.998 -12.248 1.00 0.00 C ATOM 1454 CG GLU A 95 10.237 -2.600 -11.766 1.00 0.00 C ATOM 1455 CD GLU A 95 9.624 -1.515 -12.607 1.00 0.00 C ATOM 1456 OE1 GLU A 95 9.749 -1.577 -13.807 1.00 0.00 O ATOM 1457 OE2 GLU A 95 9.029 -0.623 -12.050 1.00 0.00 O ATOM 0 H GLU A 95 8.574 -4.407 -10.174 1.00 0.00 H new ATOM 0 HA GLU A 95 7.855 -3.501 -12.791 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.376 -4.728 -11.611 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.269 -4.134 -13.256 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.909 -2.481 -10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.321 -2.488 -11.771 1.00 0.00 H new ATOM 1464 N LYS A 96 8.192 -6.713 -12.247 1.00 0.00 N ATOM 1465 CA LYS A 96 7.825 -8.019 -12.782 1.00 0.00 C ATOM 1466 C LYS A 96 6.332 -8.094 -13.075 1.00 0.00 C ATOM 1467 O LYS A 96 5.911 -8.719 -14.049 1.00 0.00 O ATOM 1468 CB LYS A 96 8.226 -9.129 -11.808 1.00 0.00 C ATOM 1469 CG LYS A 96 9.728 -9.349 -11.690 1.00 0.00 C ATOM 1470 CD LYS A 96 10.049 -10.438 -10.677 1.00 0.00 C ATOM 1471 CE LYS A 96 11.550 -10.646 -10.544 1.00 0.00 C ATOM 1472 NZ LYS A 96 11.881 -11.680 -9.526 1.00 0.00 N ATOM 0 H LYS A 96 8.506 -6.728 -11.276 1.00 0.00 H new ATOM 0 HA LYS A 96 8.364 -8.159 -13.719 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.827 -8.892 -10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.758 -10.061 -12.126 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.135 -9.623 -12.663 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.212 -8.419 -11.393 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.630 -10.170 -9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.576 -11.372 -10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.962 -10.942 -11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.024 -9.703 -10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.913 -11.791 -9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.511 -11.386 -8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.451 -12.586 -9.799 1.00 0.00 H new ATOM 1486 N ASN A 97 5.534 -7.454 -12.227 1.00 0.00 N ATOM 1487 CA ASN A 97 4.095 -7.369 -12.444 1.00 0.00 C ATOM 1488 C ASN A 97 3.775 -6.581 -13.708 1.00 0.00 C ATOM 1489 O ASN A 97 2.857 -6.928 -14.451 1.00 0.00 O ATOM 1490 CB ASN A 97 3.409 -6.749 -11.240 1.00 0.00 C ATOM 1491 CG ASN A 97 3.392 -7.667 -10.050 1.00 0.00 C ATOM 1492 OD1 ASN A 97 3.494 -8.891 -10.192 1.00 0.00 O ATOM 1493 ND2 ASN A 97 3.263 -7.099 -8.877 1.00 0.00 N ATOM 0 H ASN A 97 5.860 -6.986 -11.382 1.00 0.00 H new ATOM 0 HA ASN A 97 3.715 -8.382 -12.575 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.918 -5.823 -10.973 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.385 -6.485 -11.505 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.244 -7.671 -8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.182 -6.085 -8.808 1.00 0.00 H new ATOM 1500 N LYS A 98 4.537 -5.519 -13.946 1.00 0.00 N ATOM 1501 CA LYS A 98 4.403 -4.738 -15.170 1.00 0.00 C ATOM 1502 C LYS A 98 4.640 -5.601 -16.403 1.00 0.00 C ATOM 1503 O LYS A 98 3.931 -5.480 -17.403 1.00 0.00 O ATOM 1504 CB LYS A 98 5.373 -3.556 -15.161 1.00 0.00 C ATOM 1505 CG LYS A 98 4.996 -2.440 -14.196 1.00 0.00 C ATOM 1506 CD LYS A 98 6.057 -1.350 -14.171 1.00 0.00 C ATOM 1507 CE LYS A 98 5.710 -0.262 -13.164 1.00 0.00 C ATOM 1508 NZ LYS A 98 6.780 0.767 -13.067 1.00 0.00 N ATOM 0 H LYS A 98 5.255 -5.179 -13.306 1.00 0.00 H new ATOM 0 HA LYS A 98 3.383 -4.357 -15.212 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.368 -3.920 -14.905 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.434 -3.144 -16.168 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.038 -2.011 -14.489 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.869 -2.850 -13.194 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.024 -1.786 -13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.154 -0.911 -15.164 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.773 0.215 -13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.550 -0.712 -12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.476 1.524 -12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.650 0.330 -12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.963 1.167 -14.009 1.00 0.00 H new ATOM 1522 N GLU A 99 5.640 -6.472 -16.326 1.00 0.00 N ATOM 1523 CA GLU A 99 5.949 -7.383 -17.422 1.00 0.00 C ATOM 1524 C GLU A 99 4.823 -8.385 -17.639 1.00 0.00 C ATOM 1525 O GLU A 99 4.542 -8.782 -18.770 1.00 0.00 O ATOM 1526 CB GLU A 99 7.259 -8.125 -17.145 1.00 0.00 C ATOM 1527 CG GLU A 99 8.500 -7.244 -17.181 1.00 0.00 C ATOM 1528 CD GLU A 99 8.721 -6.599 -18.521 1.00 0.00 C ATOM 1529 OE1 GLU A 99 8.648 -7.288 -19.510 1.00 0.00 O ATOM 1530 OE2 GLU A 99 8.963 -5.416 -18.556 1.00 0.00 O ATOM 0 H GLU A 99 6.251 -6.566 -15.515 1.00 0.00 H new ATOM 0 HA GLU A 99 6.059 -6.788 -18.329 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.194 -8.600 -16.166 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.373 -8.923 -17.879 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.411 -6.468 -16.420 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.373 -7.844 -16.924 1.00 0.00 H new ATOM 1537 N GLU A 100 4.181 -8.792 -16.549 1.00 0.00 N ATOM 1538 CA GLU A 100 3.008 -9.654 -16.628 1.00 0.00 C ATOM 1539 C GLU A 100 1.824 -8.919 -17.245 1.00 0.00 C ATOM 1540 O GLU A 100 1.032 -9.506 -17.981 1.00 0.00 O ATOM 1541 CB GLU A 100 2.631 -10.170 -15.238 1.00 0.00 C ATOM 1542 CG GLU A 100 3.626 -11.157 -14.643 1.00 0.00 C ATOM 1543 CD GLU A 100 3.738 -12.427 -15.440 1.00 0.00 C ATOM 1544 OE1 GLU A 100 2.757 -12.836 -16.012 1.00 0.00 O ATOM 1545 OE2 GLU A 100 4.808 -12.988 -15.478 1.00 0.00 O ATOM 0 H GLU A 100 4.454 -8.538 -15.600 1.00 0.00 H new ATOM 0 HA GLU A 100 3.259 -10.499 -17.269 1.00 0.00 H new ATOM 0 HB2 GLU A 100 2.532 -9.320 -14.563 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.653 -10.648 -15.294 1.00 0.00 H new ATOM 0 HG2 GLU A 100 4.606 -10.685 -14.582 1.00 0.00 H new ATOM 0 HG3 GLU A 100 3.325 -11.399 -13.624 1.00 0.00 H new ATOM 1552 N LEU A 101 1.711 -7.631 -16.940 1.00 0.00 N ATOM 1553 CA LEU A 101 0.649 -6.802 -17.499 1.00 0.00 C ATOM 1554 C LEU A 101 0.871 -6.550 -18.984 1.00 0.00 C ATOM 1555 O LEU A 101 -0.081 -6.359 -19.741 1.00 0.00 O ATOM 1556 CB LEU A 101 0.572 -5.464 -16.752 1.00 0.00 C ATOM 1557 CG LEU A 101 0.081 -5.540 -15.301 1.00 0.00 C ATOM 1558 CD1 LEU A 101 0.192 -4.166 -14.655 1.00 0.00 C ATOM 1559 CD2 LEU A 101 -1.356 -6.040 -15.277 1.00 0.00 C ATOM 0 H LEU A 101 2.342 -7.138 -16.308 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.292 -7.338 -17.379 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.562 -5.008 -16.758 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.089 -4.797 -17.306 1.00 0.00 H new ATOM 0 HG LEU A 101 0.698 -6.238 -14.735 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.157 -4.220 -13.624 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.232 -3.840 -14.670 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.420 -3.453 -15.208 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.705 -6.094 -14.246 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.989 -5.354 -15.839 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.404 -7.031 -15.729 1.00 0.00 H new ATOM 1571 N LYS A 102 2.134 -6.550 -19.397 1.00 0.00 N ATOM 1572 CA LYS A 102 2.478 -6.472 -20.812 1.00 0.00 C ATOM 1573 C LYS A 102 1.987 -7.701 -21.566 1.00 0.00 C ATOM 1574 O LYS A 102 1.472 -7.593 -22.679 1.00 0.00 O ATOM 1575 CB LYS A 102 3.990 -6.317 -20.988 1.00 0.00 C ATOM 1576 CG LYS A 102 4.533 -4.952 -20.587 1.00 0.00 C ATOM 1577 CD LYS A 102 6.045 -4.891 -20.742 1.00 0.00 C ATOM 1578 CE LYS A 102 6.595 -3.545 -20.294 1.00 0.00 C ATOM 1579 NZ LYS A 102 8.079 -3.491 -20.388 1.00 0.00 N ATOM 0 H LYS A 102 2.937 -6.603 -18.771 1.00 0.00 H new ATOM 0 HA LYS A 102 1.981 -5.595 -21.228 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.493 -7.082 -20.397 1.00 0.00 H new ATOM 0 HB3 LYS A 102 4.243 -6.503 -22.032 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.071 -4.180 -21.202 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.263 -4.740 -19.553 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.505 -5.687 -20.156 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.313 -5.067 -21.784 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.164 -2.754 -20.908 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.289 -3.352 -19.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.398 -2.506 -20.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.496 -4.068 -19.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.382 -3.862 -21.311 1.00 0.00 H new ATOM 1593 N SER A 103 2.148 -8.869 -20.954 1.00 0.00 N ATOM 1594 CA SER A 103 1.660 -10.113 -21.536 1.00 0.00 C ATOM 1595 C SER A 103 0.145 -10.218 -21.422 1.00 0.00 C ATOM 1596 O SER A 103 -0.502 -10.898 -22.218 1.00 0.00 O ATOM 1597 CB SER A 103 2.311 -11.300 -20.853 1.00 0.00 C ATOM 1598 OG SER A 103 1.843 -11.442 -19.540 1.00 0.00 O ATOM 0 H SER A 103 2.614 -8.980 -20.053 1.00 0.00 H new ATOM 0 HA SER A 103 1.924 -10.115 -22.594 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.102 -12.209 -21.418 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.393 -11.171 -20.845 1.00 0.00 H new ATOM 0 HG SER A 103 1.635 -10.559 -19.170 1.00 0.00 H new ATOM 1604 N LEU A 104 -0.416 -9.540 -20.426 1.00 0.00 N ATOM 1605 CA LEU A 104 -1.864 -9.442 -20.287 1.00 0.00 C ATOM 1606 C LEU A 104 -2.476 -8.649 -21.435 1.00 0.00 C ATOM 1607 O LEU A 104 -3.491 -9.048 -22.006 1.00 0.00 O ATOM 1608 CB LEU A 104 -2.224 -8.780 -18.951 1.00 0.00 C ATOM 1609 CG LEU A 104 -3.724 -8.630 -18.666 1.00 0.00 C ATOM 1610 CD1 LEU A 104 -4.386 -10.001 -18.692 1.00 0.00 C ATOM 1611 CD2 LEU A 104 -3.920 -7.954 -17.317 1.00 0.00 C ATOM 0 H LEU A 104 0.111 -9.050 -19.703 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.272 -10.453 -20.312 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.776 -9.362 -18.146 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.767 -7.791 -18.922 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.188 -8.009 -19.432 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.452 -9.894 -18.489 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.247 -10.454 -19.674 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.934 -10.638 -17.931 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.986 -7.848 -17.115 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.461 -8.560 -16.536 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.454 -6.969 -17.332 1.00 0.00 H new ATOM 1623 N GLY A 105 -1.852 -7.524 -21.768 1.00 0.00 N ATOM 1624 CA GLY A 105 -2.251 -6.744 -22.933 1.00 0.00 C ATOM 1625 C GLY A 105 -2.653 -5.329 -22.537 1.00 0.00 C ATOM 1626 O GLY A 105 -3.551 -4.737 -23.137 1.00 0.00 O ATOM 0 H GLY A 105 -1.068 -7.132 -21.247 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.428 -6.705 -23.647 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -3.085 -7.235 -23.434 1.00 0.00 H new ATOM 1630 N THR A 106 -1.983 -4.791 -21.524 1.00 0.00 N ATOM 1631 CA THR A 106 -2.262 -3.440 -21.052 1.00 0.00 C ATOM 1632 C THR A 106 -1.492 -2.404 -21.861 1.00 0.00 C ATOM 1633 O THR A 106 -0.602 -2.746 -22.638 1.00 0.00 O ATOM 1634 CB THR A 106 -1.916 -3.292 -19.559 1.00 0.00 C ATOM 1635 OG1 THR A 106 -0.504 -3.463 -19.373 1.00 0.00 O ATOM 1636 CG2 THR A 106 -2.661 -4.329 -18.733 1.00 0.00 C ATOM 0 H THR A 106 -1.242 -5.271 -21.013 1.00 0.00 H new ATOM 0 HA THR A 106 -3.330 -3.266 -21.185 1.00 0.00 H new ATOM 0 HB THR A 106 -2.215 -2.297 -19.230 1.00 0.00 H new ATOM 0 HG1 THR A 106 -0.250 -4.377 -19.617 1.00 0.00 H new ATOM 0 HG21 THR A 106 -2.404 -4.209 -17.681 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.735 -4.194 -18.862 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.379 -5.329 -19.064 1.00 0.00 H new ATOM 1644 N GLY A 107 -1.841 -1.136 -21.673 1.00 0.00 N ATOM 1645 CA GLY A 107 -1.205 -0.049 -22.408 1.00 0.00 C ATOM 1646 C GLY A 107 -1.880 1.284 -22.114 1.00 0.00 C ATOM 1647 O GLY A 107 -1.619 1.880 -21.105 1.00 0.00 O ATOM 0 H GLY A 107 -2.562 -0.835 -21.017 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.150 0.007 -22.139 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.250 -0.254 -23.478 1.00 0.00 H new TER 1651 GLY A 107