USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 993 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 40 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.84) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 32 SER OG : rot -160:sc= -0.248 USER MOD Set 2.2: A 92 HIS : no HD1:sc= 0 X(o=-0.25,f=-0.25) USER MOD Single : A 4 THR OG1 : rot 47:sc= 0.128 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.625 K(o=-0.63,f=-4.1!) USER MOD Single : A 20 THR OG1 : rot 73:sc= 1.06 USER MOD Single : A 21 LYS NZ :NH3+ 141:sc= -0.89 (180deg=-2.38!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 26 LYS NZ :NH3+ 138:sc= -6.67! (180deg=-7.76!) USER MOD Single : A 27 CYS SG : rot 123:sc= -1.69! USER MOD Single : A 30 SER OG : rot 84:sc= 1.3 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 34 MET CE :methyl -171:sc= -1.37 (180deg=-1.42) USER MOD Single : A 36 ASN : amide:sc= -0.0835 X(o=-0.083,f=-0.45) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= -1.52 (180deg=-1.69) USER MOD Single : A 56 GLN : amide:sc= 0.363 K(o=0.36,f=-0.36) USER MOD Single : A 59 GLN :FLIP amide:sc= -1.06 F(o=-3.6!,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 69 LYS NZ :NH3+ -132:sc= 0.324 (180deg=0.0389) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= -0.131 USER MOD Single : A 93 THR OG1 : rot 25:sc= 0.791 USER MOD Single : A 102 LYS NZ :NH3+ -126:sc= -0.503 (180deg=-1.91!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 77:sc= 0.0302 USER MOD Single : A 107 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.00553) USER MOD Single : A 108 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.037) USER MOD Single : A 109 THR OG1 : rot -160:sc= -2.15! USER MOD Single : A 111 GLN : amide:sc= -0.617 K(o=-0.62,f=-7.1!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 7:sc= -4.04! USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 151:sc= -0.0854 (180deg=-1.97!) USER MOD Single : A 124 THR OG1 : rot -140:sc= -1.72 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.670 4.265 14.099 1.00 0.00 N ATOM 22 CA LEU A 3 -14.422 4.713 13.445 1.00 0.00 C ATOM 23 C LEU A 3 -13.175 4.383 14.279 1.00 0.00 C ATOM 24 O LEU A 3 -12.412 3.487 13.919 1.00 0.00 O ATOM 25 CB LEU A 3 -14.458 6.224 13.099 1.00 0.00 C ATOM 26 CG LEU A 3 -15.337 6.614 11.904 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.800 6.734 12.313 1.00 0.00 C ATOM 28 CD2 LEU A 3 -14.848 7.918 11.292 1.00 0.00 C ATOM 0 HA LEU A 3 -14.354 4.154 12.512 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.806 6.770 13.976 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.439 6.556 12.900 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.261 5.824 11.157 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.399 7.011 11.445 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.148 5.778 12.703 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.901 7.499 13.083 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.481 8.182 10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.893 8.710 12.040 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.819 7.797 10.952 1.00 0.00 H new ATOM 40 N THR A 4 -13.005 5.082 15.414 1.00 0.00 N ATOM 41 CA THR A 4 -11.837 4.917 16.299 1.00 0.00 C ATOM 42 C THR A 4 -11.575 3.465 16.713 1.00 0.00 C ATOM 43 O THR A 4 -12.256 2.914 17.587 1.00 0.00 O ATOM 44 CB THR A 4 -11.963 5.788 17.572 1.00 0.00 C ATOM 45 OG1 THR A 4 -13.256 5.610 18.163 1.00 0.00 O ATOM 46 CG2 THR A 4 -11.741 7.264 17.261 1.00 0.00 C ATOM 0 H THR A 4 -13.673 5.778 15.745 1.00 0.00 H new ATOM 0 HA THR A 4 -10.987 5.247 15.703 1.00 0.00 H new ATOM 0 HB THR A 4 -11.192 5.467 18.273 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.462 4.653 18.216 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.837 7.847 18.177 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.743 7.402 16.845 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.485 7.599 16.538 1.00 0.00 H new ATOM 54 N GLY A 5 -10.586 2.859 16.048 1.00 0.00 N ATOM 55 CA GLY A 5 -10.200 1.489 16.348 1.00 0.00 C ATOM 56 C GLY A 5 -8.692 1.301 16.376 1.00 0.00 C ATOM 57 O GLY A 5 -8.030 1.719 17.331 1.00 0.00 O ATOM 0 H GLY A 5 -10.045 3.298 15.303 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.617 1.201 17.313 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.632 0.822 15.602 1.00 0.00 H new ATOM 61 N ALA A 6 -8.154 0.669 15.324 1.00 0.00 N ATOM 62 CA ALA A 6 -6.714 0.408 15.207 1.00 0.00 C ATOM 63 C ALA A 6 -6.181 0.732 13.800 1.00 0.00 C ATOM 64 O ALA A 6 -4.983 0.578 13.534 1.00 0.00 O ATOM 65 CB ALA A 6 -6.413 -1.044 15.568 1.00 0.00 C ATOM 0 H ALA A 6 -8.702 0.326 14.535 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.202 1.068 15.907 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.342 -1.227 15.478 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.729 -1.237 16.593 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.952 -1.707 14.891 1.00 0.00 H new ATOM 71 N LEU A 7 -7.073 1.194 12.913 1.00 0.00 N ATOM 72 CA LEU A 7 -6.704 1.548 11.543 1.00 0.00 C ATOM 73 C LEU A 7 -6.679 3.066 11.429 1.00 0.00 C ATOM 74 O LEU A 7 -7.496 3.673 10.725 1.00 0.00 O ATOM 75 CB LEU A 7 -7.697 0.935 10.537 1.00 0.00 C ATOM 76 CG LEU A 7 -7.149 0.597 9.143 1.00 0.00 C ATOM 77 CD1 LEU A 7 -8.119 -0.322 8.417 1.00 0.00 C ATOM 78 CD2 LEU A 7 -6.909 1.854 8.309 1.00 0.00 C ATOM 0 H LEU A 7 -8.061 1.331 13.126 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.718 1.148 11.309 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.103 0.022 10.973 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.530 1.628 10.416 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.191 0.095 9.275 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.725 -0.559 7.428 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.245 -1.242 8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.083 0.175 8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.521 1.573 7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.848 2.394 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.186 2.494 8.815 1.00 0.00 H new ATOM 90 N ALA A 8 -5.725 3.686 12.153 1.00 0.00 N ATOM 91 CA ALA A 8 -5.589 5.155 12.212 1.00 0.00 C ATOM 92 C ALA A 8 -6.876 5.768 12.793 1.00 0.00 C ATOM 93 O ALA A 8 -7.230 6.919 12.506 1.00 0.00 O ATOM 94 CB ALA A 8 -5.250 5.747 10.837 1.00 0.00 C ATOM 0 H ALA A 8 -5.032 3.186 12.710 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.756 5.404 12.870 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.158 6.830 10.920 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.308 5.329 10.483 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.043 5.503 10.130 1.00 0.00 H new ATOM 100 N MET A 9 -7.563 4.950 13.635 1.00 0.00 N ATOM 101 CA MET A 9 -8.834 5.297 14.304 1.00 0.00 C ATOM 102 C MET A 9 -10.022 5.175 13.329 1.00 0.00 C ATOM 103 O MET A 9 -10.937 6.008 13.330 1.00 0.00 O ATOM 104 CB MET A 9 -8.780 6.698 14.955 1.00 0.00 C ATOM 105 CG MET A 9 -7.939 6.749 16.221 1.00 0.00 C ATOM 106 SD MET A 9 -8.038 8.344 17.058 1.00 0.00 S ATOM 107 CE MET A 9 -6.960 8.057 18.460 1.00 0.00 C ATOM 0 H MET A 9 -7.237 4.012 13.869 1.00 0.00 H new ATOM 0 HA MET A 9 -8.985 4.578 15.110 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.379 7.410 14.233 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.795 7.020 15.190 1.00 0.00 H new ATOM 0 HG2 MET A 9 -8.268 5.964 16.903 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.899 6.539 15.970 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.917 8.955 19.076 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.347 7.229 19.053 1.00 0.00 H new ATOM 0 HE3 MET A 9 -5.959 7.812 18.105 1.00 0.00 H new ATOM 117 N ARG A 10 -9.992 4.111 12.494 1.00 0.00 N ATOM 118 CA ARG A 10 -11.047 3.843 11.487 1.00 0.00 C ATOM 119 C ARG A 10 -11.188 2.343 11.182 1.00 0.00 C ATOM 120 O ARG A 10 -11.844 1.954 10.209 1.00 0.00 O ATOM 121 CB ARG A 10 -10.758 4.609 10.189 1.00 0.00 C ATOM 122 CG ARG A 10 -10.948 6.118 10.295 1.00 0.00 C ATOM 123 CD ARG A 10 -9.910 6.884 9.483 1.00 0.00 C ATOM 124 NE ARG A 10 -10.125 6.759 8.035 1.00 0.00 N ATOM 125 CZ ARG A 10 -9.377 7.359 7.097 1.00 0.00 C ATOM 126 NH1 ARG A 10 -8.350 8.139 7.431 1.00 0.00 N ATOM 127 NH2 ARG A 10 -9.662 7.175 5.816 1.00 0.00 N ATOM 0 H ARG A 10 -9.243 3.419 12.498 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.989 4.188 11.913 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.733 4.405 9.881 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.409 4.227 9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.947 6.383 9.948 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.884 6.419 11.341 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.940 7.937 9.762 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.915 6.516 9.732 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.899 6.174 7.720 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.121 8.288 8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.792 8.587 6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.446 6.580 5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.097 7.628 5.098 1.00 0.00 H new ATOM 141 N LEU A 11 -10.586 1.505 12.032 1.00 0.00 N ATOM 142 CA LEU A 11 -10.660 0.031 11.893 1.00 0.00 C ATOM 143 C LEU A 11 -12.096 -0.483 12.086 1.00 0.00 C ATOM 144 O LEU A 11 -12.387 -1.640 11.768 1.00 0.00 O ATOM 145 CB LEU A 11 -9.704 -0.604 12.931 1.00 0.00 C ATOM 146 CG LEU A 11 -9.556 -2.155 13.001 1.00 0.00 C ATOM 147 CD1 LEU A 11 -10.615 -2.772 13.905 1.00 0.00 C ATOM 148 CD2 LEU A 11 -9.586 -2.807 11.619 1.00 0.00 C ATOM 0 H LEU A 11 -10.036 1.817 12.832 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.358 -0.252 10.885 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.711 -0.190 12.754 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.021 -0.263 13.916 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.574 -2.352 13.432 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.485 -3.854 13.932 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.513 -2.369 14.912 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.606 -2.536 13.518 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.479 -3.887 11.724 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.534 -2.582 11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.766 -2.418 11.015 1.00 0.00 H new ATOM 160 N ASN A 12 -12.993 0.387 12.581 1.00 0.00 N ATOM 161 CA ASN A 12 -14.389 0.012 12.804 1.00 0.00 C ATOM 162 C ASN A 12 -15.064 -0.338 11.493 1.00 0.00 C ATOM 163 O ASN A 12 -14.773 0.235 10.443 1.00 0.00 O ATOM 164 CB ASN A 12 -15.161 1.128 13.513 1.00 0.00 C ATOM 165 CG ASN A 12 -14.635 1.425 14.911 1.00 0.00 C ATOM 166 OD1 ASN A 12 -13.428 1.388 15.162 1.00 0.00 O ATOM 167 ND2 ASN A 12 -15.544 1.716 15.832 1.00 0.00 N ATOM 0 H ASN A 12 -12.772 1.351 12.832 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.395 -0.866 13.450 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.109 2.036 12.912 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.213 0.849 13.579 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.254 1.920 16.788 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.533 1.736 15.584 1.00 0.00 H new ATOM 174 N ASP A 13 -15.969 -1.290 11.611 1.00 0.00 N ATOM 175 CA ASP A 13 -16.753 -1.857 10.507 1.00 0.00 C ATOM 176 C ASP A 13 -17.300 -0.829 9.499 1.00 0.00 C ATOM 177 O ASP A 13 -17.438 -1.156 8.322 1.00 0.00 O ATOM 178 CB ASP A 13 -17.882 -2.694 11.117 1.00 0.00 C ATOM 179 CG ASP A 13 -18.713 -3.457 10.094 1.00 0.00 C ATOM 180 OD1 ASP A 13 -19.719 -2.898 9.609 1.00 0.00 O ATOM 181 OD2 ASP A 13 -18.355 -4.612 9.782 1.00 0.00 O ATOM 0 H ASP A 13 -16.195 -1.713 12.511 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.079 -2.470 9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.452 -3.405 11.823 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -18.540 -2.037 11.686 1.00 0.00 H new ATOM 186 N GLU A 14 -17.603 0.395 9.943 1.00 0.00 N ATOM 187 CA GLU A 14 -18.114 1.433 9.033 1.00 0.00 C ATOM 188 C GLU A 14 -17.052 1.846 8.023 1.00 0.00 C ATOM 189 O GLU A 14 -17.255 1.756 6.803 1.00 0.00 O ATOM 190 CB GLU A 14 -18.570 2.676 9.815 1.00 0.00 C ATOM 191 CG GLU A 14 -19.965 2.554 10.406 1.00 0.00 C ATOM 192 CD GLU A 14 -20.006 1.736 11.686 1.00 0.00 C ATOM 193 OE1 GLU A 14 -20.193 0.504 11.598 1.00 0.00 O ATOM 194 OE2 GLU A 14 -19.850 2.328 12.774 1.00 0.00 O ATOM 0 H GLU A 14 -17.506 0.692 10.914 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.967 1.006 8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.860 2.867 10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.541 3.541 9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.355 3.552 10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.625 2.097 9.669 1.00 0.00 H new ATOM 201 N ASP A 15 -15.885 2.198 8.553 1.00 0.00 N ATOM 202 CA ASP A 15 -14.780 2.666 7.739 1.00 0.00 C ATOM 203 C ASP A 15 -14.023 1.500 7.161 1.00 0.00 C ATOM 204 O ASP A 15 -13.400 1.631 6.130 1.00 0.00 O ATOM 205 CB ASP A 15 -13.845 3.535 8.566 1.00 0.00 C ATOM 206 CG ASP A 15 -14.431 4.902 8.869 1.00 0.00 C ATOM 207 OD1 ASP A 15 -13.788 5.914 8.518 1.00 0.00 O ATOM 208 OD2 ASP A 15 -15.535 4.961 9.451 1.00 0.00 O ATOM 0 H ASP A 15 -15.684 2.166 9.552 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.183 3.263 6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.616 3.026 9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.903 3.658 8.032 1.00 0.00 H new ATOM 213 N LEU A 16 -14.129 0.358 7.837 1.00 0.00 N ATOM 214 CA LEU A 16 -13.472 -0.879 7.431 1.00 0.00 C ATOM 215 C LEU A 16 -14.202 -1.521 6.253 1.00 0.00 C ATOM 216 O LEU A 16 -13.571 -2.145 5.407 1.00 0.00 O ATOM 217 CB LEU A 16 -13.397 -1.815 8.632 1.00 0.00 C ATOM 218 CG LEU A 16 -12.966 -3.263 8.359 1.00 0.00 C ATOM 219 CD1 LEU A 16 -11.478 -3.346 8.071 1.00 0.00 C ATOM 220 CD2 LEU A 16 -13.334 -4.133 9.538 1.00 0.00 C ATOM 0 H LEU A 16 -14.680 0.266 8.691 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.459 -0.665 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.703 -1.385 9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.378 -1.837 9.107 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.491 -3.623 7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.201 -4.383 7.881 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.243 -2.742 7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.920 -2.973 8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.027 -5.160 9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.828 -3.768 10.432 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.413 -4.100 9.692 1.00 0.00 H new ATOM 232 N ASP A 17 -15.533 -1.373 6.227 1.00 0.00 N ATOM 233 CA ASP A 17 -16.354 -1.887 5.127 1.00 0.00 C ATOM 234 C ASP A 17 -16.205 -0.942 3.932 1.00 0.00 C ATOM 235 O ASP A 17 -15.788 -1.347 2.822 1.00 0.00 O ATOM 236 CB ASP A 17 -17.820 -1.980 5.559 1.00 0.00 C ATOM 237 CG ASP A 17 -18.578 -3.081 4.841 1.00 0.00 C ATOM 238 OD1 ASP A 17 -19.151 -2.803 3.766 1.00 0.00 O ATOM 239 OD2 ASP A 17 -18.597 -4.220 5.353 1.00 0.00 O ATOM 0 H ASP A 17 -16.064 -0.900 6.958 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.023 -2.888 4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.866 -2.155 6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.311 -1.025 5.370 1.00 0.00 H new ATOM 244 N PHE A 18 -16.476 0.352 4.192 1.00 0.00 N ATOM 245 CA PHE A 18 -16.342 1.374 3.165 1.00 0.00 C ATOM 246 C PHE A 18 -14.857 1.516 2.764 1.00 0.00 C ATOM 247 O PHE A 18 -14.536 2.133 1.750 1.00 0.00 O ATOM 248 CB PHE A 18 -16.997 2.706 3.609 1.00 0.00 C ATOM 249 CG PHE A 18 -18.494 2.618 3.857 1.00 0.00 C ATOM 250 CD1 PHE A 18 -19.358 2.091 2.898 1.00 0.00 C ATOM 251 CD2 PHE A 18 -19.037 3.067 5.052 1.00 0.00 C ATOM 252 CE1 PHE A 18 -20.717 2.014 3.132 1.00 0.00 C ATOM 253 CE2 PHE A 18 -20.397 2.992 5.288 1.00 0.00 C ATOM 254 CZ PHE A 18 -21.237 2.465 4.328 1.00 0.00 C ATOM 0 H PHE A 18 -16.785 0.701 5.099 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.887 1.070 2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.510 3.050 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.811 3.460 2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.959 1.738 1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.388 3.481 5.809 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -21.372 1.601 2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.803 3.346 6.224 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.299 2.406 4.513 1.00 0.00 H new ATOM 264 N LEU A 19 -13.963 0.986 3.632 1.00 0.00 N ATOM 265 CA LEU A 19 -12.513 0.911 3.379 1.00 0.00 C ATOM 266 C LEU A 19 -12.191 -0.379 2.607 1.00 0.00 C ATOM 267 O LEU A 19 -11.264 -0.417 1.796 1.00 0.00 O ATOM 268 CB LEU A 19 -11.724 0.862 4.709 1.00 0.00 C ATOM 269 CG LEU A 19 -10.313 1.518 4.778 1.00 0.00 C ATOM 270 CD1 LEU A 19 -9.561 1.499 3.447 1.00 0.00 C ATOM 271 CD2 LEU A 19 -10.410 2.939 5.311 1.00 0.00 C ATOM 0 H LEU A 19 -14.235 0.596 4.534 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.228 1.795 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.342 1.331 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.613 -0.186 4.987 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.730 0.907 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.587 1.973 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.424 0.468 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.135 2.043 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.414 3.381 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.044 3.532 4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.842 2.924 6.312 1.00 0.00 H new ATOM 283 N THR A 20 -12.967 -1.443 2.903 1.00 0.00 N ATOM 284 CA THR A 20 -12.767 -2.767 2.301 1.00 0.00 C ATOM 285 C THR A 20 -13.259 -2.859 0.852 1.00 0.00 C ATOM 286 O THR A 20 -12.946 -3.837 0.166 1.00 0.00 O ATOM 287 CB THR A 20 -13.412 -3.892 3.165 1.00 0.00 C ATOM 288 OG1 THR A 20 -12.665 -5.104 3.016 1.00 0.00 O ATOM 289 CG2 THR A 20 -14.878 -4.166 2.814 1.00 0.00 C ATOM 0 H THR A 20 -13.744 -1.403 3.563 1.00 0.00 H new ATOM 0 HA THR A 20 -11.687 -2.916 2.277 1.00 0.00 H new ATOM 0 HB THR A 20 -13.388 -3.539 4.196 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.814 -5.025 3.496 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.263 -4.960 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.464 -3.260 2.967 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.951 -4.473 1.771 1.00 0.00 H new ATOM 297 N LYS A 21 -14.051 -1.860 0.411 1.00 0.00 N ATOM 298 CA LYS A 21 -14.587 -1.799 -0.981 1.00 0.00 C ATOM 299 C LYS A 21 -13.608 -2.315 -2.057 1.00 0.00 C ATOM 300 O LYS A 21 -14.039 -2.897 -3.056 1.00 0.00 O ATOM 301 CB LYS A 21 -14.999 -0.359 -1.363 1.00 0.00 C ATOM 302 CG LYS A 21 -14.214 0.758 -0.690 1.00 0.00 C ATOM 303 CD LYS A 21 -12.818 0.922 -1.262 1.00 0.00 C ATOM 304 CE LYS A 21 -11.906 1.580 -0.254 1.00 0.00 C ATOM 305 NZ LYS A 21 -10.500 1.664 -0.738 1.00 0.00 N ATOM 0 H LYS A 21 -14.340 -1.076 0.996 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.452 -2.462 -0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.899 -0.248 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.055 -0.229 -1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.759 1.696 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.142 0.553 0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.417 -0.052 -1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.859 1.523 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.273 2.582 -0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.934 1.018 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.088 2.575 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.944 0.888 -0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.485 1.588 -1.775 1.00 0.00 H new ATOM 319 N TRP A 22 -12.296 -2.095 -1.841 1.00 0.00 N ATOM 320 CA TRP A 22 -11.252 -2.513 -2.792 1.00 0.00 C ATOM 321 C TRP A 22 -9.866 -2.458 -2.131 1.00 0.00 C ATOM 322 O TRP A 22 -9.735 -1.973 -1.006 1.00 0.00 O ATOM 323 CB TRP A 22 -11.292 -1.622 -4.049 1.00 0.00 C ATOM 324 CG TRP A 22 -10.972 -2.352 -5.325 1.00 0.00 C ATOM 325 CD1 TRP A 22 -9.957 -2.070 -6.191 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.678 -3.474 -5.887 1.00 0.00 C ATOM 327 NE1 TRP A 22 -9.979 -2.949 -7.247 1.00 0.00 N ATOM 328 CE2 TRP A 22 -11.025 -3.818 -7.084 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.795 -4.222 -5.492 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -11.448 -4.873 -7.888 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.214 -5.269 -6.292 1.00 0.00 C ATOM 332 CH2 TRP A 22 -12.540 -5.586 -7.477 1.00 0.00 C ATOM 0 H TRP A 22 -11.935 -1.627 -1.010 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.444 -3.544 -3.091 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -12.283 -1.177 -4.135 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.585 -0.802 -3.924 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.240 -1.272 -6.065 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.322 -2.954 -8.027 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.320 -3.985 -4.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.932 -5.120 -8.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.075 -5.851 -5.998 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.890 -6.411 -8.080 1.00 0.00 H new ATOM 343 N THR A 23 -8.836 -2.938 -2.843 1.00 0.00 N ATOM 344 CA THR A 23 -7.464 -2.966 -2.313 1.00 0.00 C ATOM 345 C THR A 23 -6.597 -1.893 -2.962 1.00 0.00 C ATOM 346 O THR A 23 -7.054 -1.188 -3.860 1.00 0.00 O ATOM 347 CB THR A 23 -6.804 -4.347 -2.464 1.00 0.00 C ATOM 348 OG1 THR A 23 -7.742 -5.323 -2.943 1.00 0.00 O ATOM 349 CG2 THR A 23 -6.273 -4.775 -1.118 1.00 0.00 C ATOM 0 H THR A 23 -8.927 -3.312 -3.788 1.00 0.00 H new ATOM 0 HA THR A 23 -7.543 -2.755 -1.247 1.00 0.00 H new ATOM 0 HB THR A 23 -5.995 -4.275 -3.191 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.295 -6.191 -3.031 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.801 -5.754 -1.207 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.539 -4.049 -0.769 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.095 -4.832 -0.404 1.00 0.00 H new ATOM 357 N ASP A 24 -5.338 -1.792 -2.521 1.00 0.00 N ATOM 358 CA ASP A 24 -4.429 -0.763 -3.019 1.00 0.00 C ATOM 359 C ASP A 24 -3.262 -1.363 -3.814 1.00 0.00 C ATOM 360 O ASP A 24 -2.268 -0.677 -4.087 1.00 0.00 O ATOM 361 CB ASP A 24 -3.904 0.052 -1.835 1.00 0.00 C ATOM 362 CG ASP A 24 -5.000 0.822 -1.117 1.00 0.00 C ATOM 363 OD1 ASP A 24 -5.204 2.010 -1.444 1.00 0.00 O ATOM 364 OD2 ASP A 24 -5.654 0.234 -0.229 1.00 0.00 O ATOM 0 H ASP A 24 -4.929 -2.411 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.981 -0.118 -3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.414 -0.617 -1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.147 0.752 -2.189 1.00 0.00 H new ATOM 369 N PHE A 25 -3.401 -2.629 -4.217 1.00 0.00 N ATOM 370 CA PHE A 25 -2.349 -3.317 -4.958 1.00 0.00 C ATOM 371 C PHE A 25 -2.758 -3.529 -6.421 1.00 0.00 C ATOM 372 O PHE A 25 -2.743 -4.632 -6.974 1.00 0.00 O ATOM 373 CB PHE A 25 -2.040 -4.608 -4.200 1.00 0.00 C ATOM 374 CG PHE A 25 -0.822 -5.411 -4.605 1.00 0.00 C ATOM 375 CD1 PHE A 25 0.320 -5.403 -3.819 1.00 0.00 C ATOM 376 CD2 PHE A 25 -0.829 -6.197 -5.750 1.00 0.00 C ATOM 377 CE1 PHE A 25 1.427 -6.153 -4.167 1.00 0.00 C ATOM 378 CE2 PHE A 25 0.277 -6.946 -6.104 1.00 0.00 C ATOM 379 CZ PHE A 25 1.406 -6.924 -5.312 1.00 0.00 C ATOM 0 H PHE A 25 -4.231 -3.195 -4.041 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.437 -2.723 -5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.934 -4.355 -3.145 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.910 -5.259 -4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.345 -4.802 -2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.711 -6.223 -6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.309 -6.136 -3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.257 -7.548 -7.000 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.272 -7.509 -5.587 1.00 0.00 H new ATOM 389 N LYS A 26 -3.122 -2.406 -7.010 1.00 0.00 N ATOM 390 CA LYS A 26 -3.437 -2.277 -8.422 1.00 0.00 C ATOM 391 C LYS A 26 -2.514 -1.176 -8.922 1.00 0.00 C ATOM 392 O LYS A 26 -2.532 -0.784 -10.093 1.00 0.00 O ATOM 393 CB LYS A 26 -4.937 -1.942 -8.663 1.00 0.00 C ATOM 394 CG LYS A 26 -5.299 -0.442 -8.699 1.00 0.00 C ATOM 395 CD LYS A 26 -5.651 0.113 -7.321 1.00 0.00 C ATOM 396 CE LYS A 26 -4.422 0.243 -6.426 1.00 0.00 C ATOM 397 NZ LYS A 26 -4.047 1.649 -6.117 1.00 0.00 N ATOM 0 H LYS A 26 -3.210 -1.526 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.282 -3.213 -8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.242 -2.392 -9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.526 -2.419 -7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.460 0.120 -9.109 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.143 -0.292 -9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.123 1.089 -7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.380 -0.540 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.607 -0.287 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.579 -0.250 -6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.784 1.726 -5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.240 1.931 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.855 2.275 -6.312 1.00 0.00 H new ATOM 411 N CYS A 27 -1.700 -0.702 -7.965 1.00 0.00 N ATOM 412 CA CYS A 27 -0.753 0.352 -8.174 1.00 0.00 C ATOM 413 C CYS A 27 0.634 -0.149 -7.836 1.00 0.00 C ATOM 414 O CYS A 27 0.895 -0.633 -6.696 1.00 0.00 O ATOM 415 CB CYS A 27 -1.111 1.567 -7.304 1.00 0.00 C ATOM 416 SG CYS A 27 0.129 2.887 -7.298 1.00 0.00 S ATOM 0 H CYS A 27 -1.699 -1.063 -7.011 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.778 0.661 -9.219 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.058 1.979 -7.652 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.267 1.229 -6.279 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.417 3.998 -7.696 1.00 0.00 H new ATOM 422 N PHE A 28 1.493 -0.071 -8.860 1.00 0.00 N ATOM 423 CA PHE A 28 2.884 -0.444 -8.746 1.00 0.00 C ATOM 424 C PHE A 28 3.664 0.786 -8.349 1.00 0.00 C ATOM 425 O PHE A 28 3.650 1.789 -9.064 1.00 0.00 O ATOM 426 CB PHE A 28 3.408 -1.013 -10.073 1.00 0.00 C ATOM 427 CG PHE A 28 2.894 -2.392 -10.388 1.00 0.00 C ATOM 428 CD1 PHE A 28 3.593 -3.515 -9.978 1.00 0.00 C ATOM 429 CD2 PHE A 28 1.712 -2.563 -11.093 1.00 0.00 C ATOM 430 CE1 PHE A 28 3.125 -4.783 -10.264 1.00 0.00 C ATOM 431 CE2 PHE A 28 1.240 -3.829 -11.383 1.00 0.00 C ATOM 432 CZ PHE A 28 1.947 -4.941 -10.967 1.00 0.00 C ATOM 0 H PHE A 28 1.229 0.256 -9.789 1.00 0.00 H new ATOM 0 HA PHE A 28 3.000 -1.223 -7.992 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.129 -0.338 -10.882 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.497 -1.040 -10.041 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.515 -3.398 -9.428 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.154 -1.697 -11.419 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.680 -5.650 -9.938 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.319 -3.949 -11.934 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.579 -5.931 -11.191 1.00 0.00 H new ATOM 442 N VAL A 29 4.365 0.701 -7.228 1.00 0.00 N ATOM 443 CA VAL A 29 5.132 1.835 -6.754 1.00 0.00 C ATOM 444 C VAL A 29 6.605 1.642 -7.116 1.00 0.00 C ATOM 445 O VAL A 29 7.196 0.567 -6.905 1.00 0.00 O ATOM 446 CB VAL A 29 4.848 2.118 -5.244 1.00 0.00 C ATOM 447 CG1 VAL A 29 6.022 2.776 -4.515 1.00 0.00 C ATOM 448 CG2 VAL A 29 3.618 3.006 -5.124 1.00 0.00 C ATOM 0 H VAL A 29 4.417 -0.130 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 29 4.816 2.748 -7.259 1.00 0.00 H new ATOM 0 HB VAL A 29 4.685 1.152 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.755 2.943 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.894 2.124 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.255 3.730 -4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.415 3.207 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.796 3.947 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.760 2.502 -5.569 1.00 0.00 H new ATOM 458 N SER A 30 7.164 2.767 -7.590 1.00 0.00 N ATOM 459 CA SER A 30 8.515 2.911 -8.168 1.00 0.00 C ATOM 460 C SER A 30 9.542 1.840 -7.839 1.00 0.00 C ATOM 461 O SER A 30 10.224 1.867 -6.811 1.00 0.00 O ATOM 462 CB SER A 30 9.073 4.306 -7.845 1.00 0.00 C ATOM 463 OG SER A 30 8.751 4.700 -6.521 1.00 0.00 O ATOM 0 H SER A 30 6.658 3.653 -7.581 1.00 0.00 H new ATOM 0 HA SER A 30 8.353 2.773 -9.237 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.156 4.305 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.670 5.033 -8.550 1.00 0.00 H new ATOM 0 HG SER A 30 9.409 4.325 -5.899 1.00 0.00 H new ATOM 469 N ALA A 31 9.640 0.904 -8.800 1.00 0.00 N ATOM 470 CA ALA A 31 10.594 -0.194 -8.767 1.00 0.00 C ATOM 471 C ALA A 31 11.950 0.304 -9.262 1.00 0.00 C ATOM 472 O ALA A 31 12.987 -0.305 -8.984 1.00 0.00 O ATOM 473 CB ALA A 31 10.077 -1.337 -9.593 1.00 0.00 C ATOM 0 H ALA A 31 9.045 0.898 -9.629 1.00 0.00 H new ATOM 0 HA ALA A 31 10.721 -0.558 -7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.793 -2.158 -9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.123 -1.675 -9.189 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.939 -1.008 -10.623 1.00 0.00 H new ATOM 479 N SER A 32 11.892 1.413 -10.044 1.00 0.00 N ATOM 480 CA SER A 32 13.061 2.163 -10.534 1.00 0.00 C ATOM 481 C SER A 32 13.683 1.668 -11.851 1.00 0.00 C ATOM 482 O SER A 32 13.653 2.397 -12.846 1.00 0.00 O ATOM 483 CB SER A 32 14.091 2.231 -9.423 1.00 0.00 C ATOM 484 OG SER A 32 14.730 3.495 -9.373 1.00 0.00 O ATOM 0 H SER A 32 11.007 1.814 -10.354 1.00 0.00 H new ATOM 0 HA SER A 32 12.695 3.155 -10.798 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.608 2.030 -8.467 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.838 1.452 -9.572 1.00 0.00 H new ATOM 0 HG SER A 32 15.577 3.414 -8.886 1.00 0.00 H new ATOM 490 N ASN A 33 14.255 0.460 -11.860 1.00 0.00 N ATOM 491 CA ASN A 33 14.887 -0.094 -13.061 1.00 0.00 C ATOM 492 C ASN A 33 13.909 -1.036 -13.736 1.00 0.00 C ATOM 493 O ASN A 33 14.118 -1.492 -14.864 1.00 0.00 O ATOM 494 CB ASN A 33 16.196 -0.810 -12.710 1.00 0.00 C ATOM 495 CG ASN A 33 17.389 0.126 -12.719 1.00 0.00 C ATOM 496 OD1 ASN A 33 17.724 0.733 -11.702 1.00 0.00 O ATOM 497 ND2 ASN A 33 18.039 0.246 -13.872 1.00 0.00 N ATOM 0 H ASN A 33 14.293 -0.154 -11.047 1.00 0.00 H new ATOM 0 HA ASN A 33 15.140 0.714 -13.747 1.00 0.00 H new ATOM 0 HB2 ASN A 33 16.104 -1.267 -11.725 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.367 -1.618 -13.421 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.851 0.860 -13.938 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.726 -0.276 -14.690 1.00 0.00 H new ATOM 504 N MET A 34 12.837 -1.309 -12.996 1.00 0.00 N ATOM 505 CA MET A 34 11.741 -2.140 -13.441 1.00 0.00 C ATOM 506 C MET A 34 10.614 -1.242 -13.941 1.00 0.00 C ATOM 507 O MET A 34 9.769 -1.649 -14.743 1.00 0.00 O ATOM 508 CB MET A 34 11.258 -2.989 -12.276 1.00 0.00 C ATOM 509 CG MET A 34 10.292 -4.099 -12.660 1.00 0.00 C ATOM 510 SD MET A 34 9.326 -4.705 -11.265 1.00 0.00 S ATOM 511 CE MET A 34 7.956 -3.549 -11.290 1.00 0.00 C ATOM 0 H MET A 34 12.711 -0.947 -12.051 1.00 0.00 H new ATOM 0 HA MET A 34 12.064 -2.796 -14.250 1.00 0.00 H new ATOM 0 HB2 MET A 34 12.123 -3.432 -11.783 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.774 -2.340 -11.546 1.00 0.00 H new ATOM 0 HG2 MET A 34 9.615 -3.733 -13.432 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.853 -4.927 -13.094 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.349 -3.685 -10.395 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.341 -2.529 -11.317 1.00 0.00 H new ATOM 0 HE3 MET A 34 7.344 -3.729 -12.174 1.00 0.00 H new ATOM 521 N ARG A 35 10.643 -0.017 -13.435 1.00 0.00 N ATOM 522 CA ARG A 35 9.700 1.006 -13.753 1.00 0.00 C ATOM 523 C ARG A 35 10.500 2.165 -14.315 1.00 0.00 C ATOM 524 O ARG A 35 11.716 2.043 -14.484 1.00 0.00 O ATOM 525 CB ARG A 35 8.888 1.371 -12.482 1.00 0.00 C ATOM 526 CG ARG A 35 9.235 2.708 -11.812 1.00 0.00 C ATOM 527 CD ARG A 35 8.106 3.728 -11.953 1.00 0.00 C ATOM 528 NE ARG A 35 8.225 4.832 -10.986 1.00 0.00 N ATOM 529 CZ ARG A 35 8.939 5.955 -11.180 1.00 0.00 C ATOM 530 NH1 ARG A 35 9.618 6.148 -12.307 1.00 0.00 N ATOM 531 NH2 ARG A 35 8.966 6.887 -10.237 1.00 0.00 N ATOM 0 H ARG A 35 11.355 0.286 -12.770 1.00 0.00 H new ATOM 0 HA ARG A 35 8.965 0.693 -14.495 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.830 1.385 -12.744 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.024 0.576 -11.749 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.443 2.541 -10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.145 3.111 -12.256 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.110 4.133 -12.965 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.148 3.227 -11.813 1.00 0.00 H new ATOM 0 HE ARG A 35 7.727 4.738 -10.101 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.602 5.439 -13.040 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.155 7.005 -12.439 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.447 6.750 -9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.506 7.741 -10.379 1.00 0.00 H new ATOM 545 N ASN A 36 9.814 3.251 -14.638 1.00 0.00 N ATOM 546 CA ASN A 36 10.416 4.473 -15.171 1.00 0.00 C ATOM 547 C ASN A 36 9.979 4.664 -16.629 1.00 0.00 C ATOM 548 O ASN A 36 10.212 5.719 -17.226 1.00 0.00 O ATOM 549 CB ASN A 36 11.970 4.515 -15.001 1.00 0.00 C ATOM 550 CG ASN A 36 12.622 5.806 -15.492 1.00 0.00 C ATOM 551 OD1 ASN A 36 12.047 6.891 -15.386 1.00 0.00 O ATOM 552 ND2 ASN A 36 13.828 5.689 -16.035 1.00 0.00 N ATOM 0 H ASN A 36 8.801 3.313 -14.536 1.00 0.00 H new ATOM 0 HA ASN A 36 10.050 5.315 -14.583 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.212 4.378 -13.947 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.406 3.674 -15.540 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.313 6.516 -16.383 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.270 4.772 -16.104 1.00 0.00 H new ATOM 559 N ALA A 37 9.336 3.622 -17.180 1.00 0.00 N ATOM 560 CA ALA A 37 8.831 3.636 -18.550 1.00 0.00 C ATOM 561 C ALA A 37 7.393 4.164 -18.622 1.00 0.00 C ATOM 562 O ALA A 37 7.066 4.936 -19.527 1.00 0.00 O ATOM 563 CB ALA A 37 8.917 2.245 -19.162 1.00 0.00 C ATOM 0 H ALA A 37 9.155 2.750 -16.683 1.00 0.00 H new ATOM 0 HA ALA A 37 9.460 4.316 -19.125 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.537 2.273 -20.183 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.956 1.915 -19.170 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.320 1.550 -18.571 1.00 0.00 H new ATOM 569 N ALA A 38 6.538 3.745 -17.668 1.00 0.00 N ATOM 570 CA ALA A 38 5.137 4.178 -17.649 1.00 0.00 C ATOM 571 C ALA A 38 4.851 5.175 -16.523 1.00 0.00 C ATOM 572 O ALA A 38 4.278 6.240 -16.775 1.00 0.00 O ATOM 573 CB ALA A 38 4.220 2.965 -17.545 1.00 0.00 C ATOM 0 H ALA A 38 6.795 3.113 -16.910 1.00 0.00 H new ATOM 0 HA ALA A 38 4.939 4.699 -18.586 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.181 3.294 -17.531 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.382 2.312 -18.402 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.440 2.420 -16.627 1.00 0.00 H new ATOM 579 N GLY A 39 5.243 4.832 -15.283 1.00 0.00 N ATOM 580 CA GLY A 39 5.048 5.729 -14.144 1.00 0.00 C ATOM 581 C GLY A 39 3.592 5.950 -13.751 1.00 0.00 C ATOM 582 O GLY A 39 3.296 6.882 -12.997 1.00 0.00 O ATOM 0 H GLY A 39 5.693 3.946 -15.051 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.585 5.326 -13.285 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.498 6.694 -14.377 1.00 0.00 H new ATOM 586 N GLN A 40 2.686 5.099 -14.256 1.00 0.00 N ATOM 587 CA GLN A 40 1.264 5.216 -13.942 1.00 0.00 C ATOM 588 C GLN A 40 0.941 4.472 -12.652 1.00 0.00 C ATOM 589 O GLN A 40 0.513 3.310 -12.653 1.00 0.00 O ATOM 590 CB GLN A 40 0.405 4.705 -15.097 1.00 0.00 C ATOM 591 CG GLN A 40 -0.242 5.816 -15.911 1.00 0.00 C ATOM 592 CD GLN A 40 -1.470 5.345 -16.672 1.00 0.00 C ATOM 593 OE1 GLN A 40 -2.596 5.451 -16.184 1.00 0.00 O ATOM 594 NE2 GLN A 40 -1.257 4.815 -17.871 1.00 0.00 N ATOM 0 H GLN A 40 2.917 4.327 -14.881 1.00 0.00 H new ATOM 0 HA GLN A 40 1.032 6.271 -13.796 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.023 4.095 -15.756 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.375 4.055 -14.699 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.523 6.632 -15.246 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.487 6.216 -16.616 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.307 4.747 -18.237 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.043 4.476 -18.426 1.00 0.00 H new ATOM 603 N PHE A 41 1.187 5.170 -11.553 1.00 0.00 N ATOM 604 CA PHE A 41 0.950 4.649 -10.216 1.00 0.00 C ATOM 605 C PHE A 41 0.172 5.668 -9.388 1.00 0.00 C ATOM 606 O PHE A 41 -0.701 5.305 -8.594 1.00 0.00 O ATOM 607 CB PHE A 41 2.296 4.280 -9.556 1.00 0.00 C ATOM 608 CG PHE A 41 3.149 5.446 -9.111 1.00 0.00 C ATOM 609 CD1 PHE A 41 3.108 5.880 -7.795 1.00 0.00 C ATOM 610 CD2 PHE A 41 3.987 6.097 -10.002 1.00 0.00 C ATOM 611 CE1 PHE A 41 3.886 6.942 -7.375 1.00 0.00 C ATOM 612 CE2 PHE A 41 4.768 7.161 -9.588 1.00 0.00 C ATOM 613 CZ PHE A 41 4.716 7.584 -8.272 1.00 0.00 C ATOM 0 H PHE A 41 1.559 6.120 -11.565 1.00 0.00 H new ATOM 0 HA PHE A 41 0.346 3.744 -10.274 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.094 3.650 -8.690 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.872 3.680 -10.260 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.460 5.382 -7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.031 5.770 -11.030 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.845 7.269 -6.347 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.418 7.661 -10.291 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.324 8.415 -7.947 1.00 0.00 H new ATOM 623 N ILE A 42 0.487 6.954 -9.608 1.00 0.00 N ATOM 624 CA ILE A 42 -0.169 8.061 -8.906 1.00 0.00 C ATOM 625 C ILE A 42 -1.674 8.114 -9.199 1.00 0.00 C ATOM 626 O ILE A 42 -2.441 8.661 -8.399 1.00 0.00 O ATOM 627 CB ILE A 42 0.477 9.441 -9.227 1.00 0.00 C ATOM 628 CG1 ILE A 42 0.727 9.640 -10.735 1.00 0.00 C ATOM 629 CG2 ILE A 42 1.782 9.603 -8.459 1.00 0.00 C ATOM 630 CD1 ILE A 42 -0.321 10.491 -11.422 1.00 0.00 C ATOM 0 H ILE A 42 1.200 7.252 -10.274 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.025 7.860 -7.844 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.233 10.206 -8.912 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.705 10.102 -10.874 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.764 8.664 -11.219 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.224 10.572 -8.692 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.584 9.543 -7.389 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.474 8.811 -8.746 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.077 10.585 -12.480 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.298 10.020 -11.316 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.343 11.480 -10.965 1.00 0.00 H new ATOM 642 N GLU A 43 -2.094 7.519 -10.336 1.00 0.00 N ATOM 643 CA GLU A 43 -3.506 7.501 -10.714 1.00 0.00 C ATOM 644 C GLU A 43 -4.321 6.620 -9.763 1.00 0.00 C ATOM 645 O GLU A 43 -5.205 7.133 -9.060 1.00 0.00 O ATOM 646 CB GLU A 43 -3.669 7.027 -12.166 1.00 0.00 C ATOM 647 CG GLU A 43 -4.135 8.119 -13.114 1.00 0.00 C ATOM 648 CD GLU A 43 -4.296 7.623 -14.537 1.00 0.00 C ATOM 649 OE1 GLU A 43 -3.387 7.869 -15.359 1.00 0.00 O ATOM 650 OE2 GLU A 43 -5.330 6.985 -14.830 1.00 0.00 O ATOM 0 H GLU A 43 -1.474 7.051 -10.997 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.889 8.519 -10.637 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.716 6.633 -12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.384 6.205 -12.193 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.086 8.519 -12.762 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.418 8.940 -13.098 1.00 0.00 H new ATOM 657 N ALA A 44 -4.013 5.305 -9.699 1.00 0.00 N ATOM 658 CA ALA A 44 -4.736 4.407 -8.797 1.00 0.00 C ATOM 659 C ALA A 44 -4.405 4.686 -7.328 1.00 0.00 C ATOM 660 O ALA A 44 -5.228 4.420 -6.448 1.00 0.00 O ATOM 661 CB ALA A 44 -4.432 2.959 -9.130 1.00 0.00 C ATOM 0 H ALA A 44 -3.282 4.857 -10.253 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.800 4.593 -8.941 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.978 2.307 -8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.737 2.750 -10.155 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.362 2.778 -9.025 1.00 0.00 H new ATOM 667 N ALA A 45 -3.198 5.225 -7.070 1.00 0.00 N ATOM 668 CA ALA A 45 -2.769 5.561 -5.705 1.00 0.00 C ATOM 669 C ALA A 45 -3.610 6.709 -5.146 1.00 0.00 C ATOM 670 O ALA A 45 -4.060 6.656 -3.994 1.00 0.00 O ATOM 671 CB ALA A 45 -1.290 5.919 -5.675 1.00 0.00 C ATOM 0 H ALA A 45 -2.506 5.436 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.919 4.684 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.996 6.164 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.703 5.071 -6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.111 6.779 -6.321 1.00 0.00 H new ATOM 677 N TYR A 46 -3.840 7.738 -5.987 1.00 0.00 N ATOM 678 CA TYR A 46 -4.653 8.895 -5.602 1.00 0.00 C ATOM 679 C TYR A 46 -6.132 8.506 -5.499 1.00 0.00 C ATOM 680 O TYR A 46 -6.832 8.935 -4.579 1.00 0.00 O ATOM 681 CB TYR A 46 -4.481 10.024 -6.620 1.00 0.00 C ATOM 682 CG TYR A 46 -4.469 11.403 -6.001 1.00 0.00 C ATOM 683 CD1 TYR A 46 -3.281 11.979 -5.569 1.00 0.00 C ATOM 684 CD2 TYR A 46 -5.644 12.127 -5.847 1.00 0.00 C ATOM 685 CE1 TYR A 46 -3.265 13.239 -5.003 1.00 0.00 C ATOM 686 CE2 TYR A 46 -5.636 13.388 -5.282 1.00 0.00 C ATOM 687 CZ TYR A 46 -4.444 13.938 -4.861 1.00 0.00 C ATOM 688 OH TYR A 46 -4.430 15.193 -4.298 1.00 0.00 O ATOM 0 H TYR A 46 -3.471 7.785 -6.937 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.315 9.241 -4.625 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.549 9.872 -7.164 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.289 9.970 -7.350 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.355 11.433 -5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.579 11.697 -6.174 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.333 13.674 -4.673 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.558 13.939 -5.171 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.342 15.550 -4.272 1.00 0.00 H new ATOM 698 N ALA A 47 -6.584 7.663 -6.445 1.00 0.00 N ATOM 699 CA ALA A 47 -7.973 7.188 -6.486 1.00 0.00 C ATOM 700 C ALA A 47 -8.312 6.286 -5.298 1.00 0.00 C ATOM 701 O ALA A 47 -9.372 6.440 -4.681 1.00 0.00 O ATOM 702 CB ALA A 47 -8.223 6.445 -7.784 1.00 0.00 C ATOM 0 H ALA A 47 -5.999 7.296 -7.196 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.620 8.063 -6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.255 6.095 -7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.046 7.114 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.548 5.592 -7.851 1.00 0.00 H new ATOM 708 N LYS A 48 -7.401 5.348 -4.975 1.00 0.00 N ATOM 709 CA LYS A 48 -7.606 4.428 -3.850 1.00 0.00 C ATOM 710 C LYS A 48 -7.515 5.174 -2.531 1.00 0.00 C ATOM 711 O LYS A 48 -8.300 4.912 -1.616 1.00 0.00 O ATOM 712 CB LYS A 48 -6.630 3.255 -3.894 1.00 0.00 C ATOM 713 CG LYS A 48 -6.898 2.291 -5.049 1.00 0.00 C ATOM 714 CD LYS A 48 -8.086 1.344 -4.806 1.00 0.00 C ATOM 715 CE LYS A 48 -9.433 1.904 -5.294 1.00 0.00 C ATOM 716 NZ LYS A 48 -9.295 2.873 -6.424 1.00 0.00 N ATOM 0 H LYS A 48 -6.523 5.211 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.609 4.010 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.614 3.640 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.686 2.708 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.085 2.868 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.002 1.696 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.893 0.397 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.156 1.130 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.070 1.077 -5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.937 2.396 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.238 3.123 -6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.814 3.732 -6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.736 2.440 -7.187 1.00 0.00 H new ATOM 730 N ALA A 49 -6.537 6.095 -2.433 1.00 0.00 N ATOM 731 CA ALA A 49 -6.403 6.962 -1.252 1.00 0.00 C ATOM 732 C ALA A 49 -7.717 7.732 -1.053 1.00 0.00 C ATOM 733 O ALA A 49 -8.218 7.878 0.073 1.00 0.00 O ATOM 734 CB ALA A 49 -5.228 7.918 -1.414 1.00 0.00 C ATOM 0 H ALA A 49 -5.833 6.255 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.205 6.352 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.148 8.549 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.308 7.346 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.386 8.543 -2.293 1.00 0.00 H new ATOM 740 N LEU A 50 -8.289 8.180 -2.189 1.00 0.00 N ATOM 741 CA LEU A 50 -9.577 8.873 -2.206 1.00 0.00 C ATOM 742 C LEU A 50 -10.688 7.895 -1.802 1.00 0.00 C ATOM 743 O LEU A 50 -11.682 8.292 -1.187 1.00 0.00 O ATOM 744 CB LEU A 50 -9.851 9.464 -3.606 1.00 0.00 C ATOM 745 CG LEU A 50 -9.562 10.977 -3.821 1.00 0.00 C ATOM 746 CD1 LEU A 50 -10.568 11.849 -3.078 1.00 0.00 C ATOM 747 CD2 LEU A 50 -8.135 11.357 -3.422 1.00 0.00 C ATOM 0 H LEU A 50 -7.868 8.069 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.553 9.696 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.258 8.903 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.899 9.285 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.667 11.161 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.336 12.900 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.573 11.635 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.515 11.636 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.982 12.423 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.979 11.130 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.425 10.789 -4.024 1.00 0.00 H new ATOM 759 N ARG A 51 -10.497 6.601 -2.151 1.00 0.00 N ATOM 760 CA ARG A 51 -11.444 5.543 -1.775 1.00 0.00 C ATOM 761 C ARG A 51 -11.351 5.282 -0.268 1.00 0.00 C ATOM 762 O ARG A 51 -12.333 4.889 0.366 1.00 0.00 O ATOM 763 CB ARG A 51 -11.196 4.252 -2.559 1.00 0.00 C ATOM 764 CG ARG A 51 -11.876 4.221 -3.929 1.00 0.00 C ATOM 765 CD ARG A 51 -12.842 3.048 -4.016 1.00 0.00 C ATOM 766 NE ARG A 51 -13.835 3.187 -5.081 1.00 0.00 N ATOM 767 CZ ARG A 51 -15.077 2.679 -5.025 1.00 0.00 C ATOM 768 NH1 ARG A 51 -15.499 2.007 -3.955 1.00 0.00 N ATOM 769 NH2 ARG A 51 -15.890 2.821 -6.059 1.00 0.00 N ATOM 0 H ARG A 51 -9.696 6.273 -2.691 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.449 5.883 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.122 4.120 -2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.549 3.406 -1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.412 5.155 -4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.124 4.140 -4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.274 2.131 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.357 2.940 -3.062 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.567 3.702 -5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.875 1.871 -3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.446 1.629 -3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.573 3.314 -6.893 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.834 2.437 -6.022 1.00 0.00 H new ATOM 783 N ILE A 52 -10.148 5.511 0.299 1.00 0.00 N ATOM 784 CA ILE A 52 -9.932 5.392 1.749 1.00 0.00 C ATOM 785 C ILE A 52 -10.652 6.579 2.404 1.00 0.00 C ATOM 786 O ILE A 52 -11.117 6.500 3.544 1.00 0.00 O ATOM 787 CB ILE A 52 -8.417 5.381 2.145 1.00 0.00 C ATOM 788 CG1 ILE A 52 -7.646 4.323 1.325 1.00 0.00 C ATOM 789 CG2 ILE A 52 -8.252 5.110 3.646 1.00 0.00 C ATOM 790 CD1 ILE A 52 -6.132 4.475 1.360 1.00 0.00 C ATOM 0 H ILE A 52 -9.316 5.778 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 52 -10.328 4.437 2.094 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.002 6.364 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.907 3.332 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.979 4.372 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.192 5.106 3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.759 5.890 4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.687 4.141 3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.674 3.691 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.855 5.450 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.782 4.394 2.389 1.00 0.00 H new ATOM 802 N GLU A 53 -10.715 7.682 1.636 1.00 0.00 N ATOM 803 CA GLU A 53 -11.429 8.896 2.033 1.00 0.00 C ATOM 804 C GLU A 53 -12.928 8.754 1.729 1.00 0.00 C ATOM 805 O GLU A 53 -13.727 9.563 2.184 1.00 0.00 O ATOM 806 CB GLU A 53 -10.840 10.124 1.338 1.00 0.00 C ATOM 807 CG GLU A 53 -10.476 11.246 2.297 1.00 0.00 C ATOM 808 CD GLU A 53 -9.720 12.372 1.619 1.00 0.00 C ATOM 809 OE1 GLU A 53 -8.538 12.167 1.270 1.00 0.00 O ATOM 810 OE2 GLU A 53 -10.307 13.459 1.442 1.00 0.00 O ATOM 0 H GLU A 53 -10.269 7.750 0.721 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.310 9.034 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.949 9.826 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.558 10.499 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.386 11.644 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.869 10.843 3.108 1.00 0.00 H new ATOM 817 N LEU A 54 -13.288 7.770 0.879 1.00 0.00 N ATOM 818 CA LEU A 54 -14.694 7.462 0.592 1.00 0.00 C ATOM 819 C LEU A 54 -15.218 6.575 1.707 1.00 0.00 C ATOM 820 O LEU A 54 -16.399 6.603 2.062 1.00 0.00 O ATOM 821 CB LEU A 54 -14.850 6.816 -0.818 1.00 0.00 C ATOM 822 CG LEU A 54 -14.897 5.253 -0.996 1.00 0.00 C ATOM 823 CD1 LEU A 54 -15.955 4.543 -0.145 1.00 0.00 C ATOM 824 CD2 LEU A 54 -15.165 4.923 -2.452 1.00 0.00 C ATOM 0 H LEU A 54 -12.621 7.179 0.383 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.288 8.376 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.768 7.214 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.025 7.182 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.926 4.891 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.914 3.470 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.761 4.734 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.944 4.919 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.198 3.841 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.120 5.353 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.369 5.337 -3.071 1.00 0.00 H new ATOM 836 N ALA A 55 -14.282 5.781 2.231 1.00 0.00 N ATOM 837 CA ALA A 55 -14.499 4.854 3.351 1.00 0.00 C ATOM 838 C ALA A 55 -15.152 5.537 4.553 1.00 0.00 C ATOM 839 O ALA A 55 -15.651 4.884 5.474 1.00 0.00 O ATOM 840 CB ALA A 55 -13.173 4.248 3.767 1.00 0.00 C ATOM 0 H ALA A 55 -13.324 5.762 1.880 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.182 4.077 3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.332 3.560 4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.740 3.707 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.492 5.041 4.077 1.00 0.00 H new ATOM 846 N GLN A 56 -15.127 6.858 4.501 1.00 0.00 N ATOM 847 CA GLN A 56 -15.689 7.722 5.519 1.00 0.00 C ATOM 848 C GLN A 56 -17.042 8.239 5.108 1.00 0.00 C ATOM 849 O GLN A 56 -17.449 9.337 5.498 1.00 0.00 O ATOM 850 CB GLN A 56 -14.703 8.847 5.908 1.00 0.00 C ATOM 851 CG GLN A 56 -14.222 9.713 4.755 1.00 0.00 C ATOM 852 CD GLN A 56 -13.410 10.924 5.202 1.00 0.00 C ATOM 853 OE1 GLN A 56 -12.722 10.893 6.227 1.00 0.00 O ATOM 854 NE2 GLN A 56 -13.479 11.999 4.427 1.00 0.00 N ATOM 0 H GLN A 56 -14.703 7.371 3.728 1.00 0.00 H new ATOM 0 HA GLN A 56 -15.847 7.131 6.421 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -15.182 9.488 6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.835 8.397 6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.615 9.106 4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -15.085 10.055 4.183 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.059 11.986 3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.952 12.838 4.671 1.00 0.00 H new ATOM 863 N LEU A 57 -17.731 7.423 4.303 1.00 0.00 N ATOM 864 CA LEU A 57 -19.068 7.730 3.852 1.00 0.00 C ATOM 865 C LEU A 57 -19.985 7.887 5.021 1.00 0.00 C ATOM 866 O LEU A 57 -20.624 6.948 5.521 1.00 0.00 O ATOM 867 CB LEU A 57 -19.627 6.678 2.882 1.00 0.00 C ATOM 868 CG LEU A 57 -21.181 6.543 2.849 1.00 0.00 C ATOM 869 CD1 LEU A 57 -21.843 7.679 2.091 1.00 0.00 C ATOM 870 CD2 LEU A 57 -21.608 5.190 2.299 1.00 0.00 C ATOM 0 H LEU A 57 -17.368 6.536 3.954 1.00 0.00 H new ATOM 0 HA LEU A 57 -19.007 8.669 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -19.281 6.918 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -19.202 5.709 3.143 1.00 0.00 H new ATOM 0 HG LEU A 57 -21.524 6.610 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -22.924 7.539 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -21.597 8.627 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -21.484 7.688 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -22.696 5.128 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -21.229 5.074 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -21.205 4.397 2.930 1.00 0.00 H new ATOM 882 N VAL A 58 -19.945 9.085 5.497 1.00 0.00 N ATOM 883 CA VAL A 58 -20.828 9.519 6.506 1.00 0.00 C ATOM 884 C VAL A 58 -22.039 9.955 5.693 1.00 0.00 C ATOM 885 O VAL A 58 -23.180 9.939 6.161 1.00 0.00 O ATOM 886 CB VAL A 58 -20.201 10.674 7.334 1.00 0.00 C ATOM 887 CG1 VAL A 58 -21.165 11.215 8.391 1.00 0.00 C ATOM 888 CG2 VAL A 58 -18.900 10.216 7.994 1.00 0.00 C ATOM 0 H VAL A 58 -19.284 9.796 5.185 1.00 0.00 H new ATOM 0 HA VAL A 58 -21.073 8.765 7.254 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.985 11.486 6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.683 12.021 8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -22.063 11.596 7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.437 10.414 9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -18.475 11.038 8.570 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.105 9.376 8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -18.191 9.907 7.226 1.00 0.00 H new ATOM 898 N GLN A 59 -21.721 10.355 4.421 1.00 0.00 N ATOM 899 CA GLN A 59 -22.749 10.786 3.453 1.00 0.00 C ATOM 900 C GLN A 59 -22.308 10.895 1.966 1.00 0.00 C ATOM 901 O GLN A 59 -22.970 10.328 1.093 1.00 0.00 O ATOM 902 CB GLN A 59 -23.345 12.135 3.898 1.00 0.00 C ATOM 903 CG GLN A 59 -22.276 13.086 4.454 1.00 0.00 C ATOM 904 CD GLN A 59 -22.582 14.573 4.277 1.00 0.00 C ATOM 905 OE1 GLN A 59 -23.303 14.938 3.217 1.00 0.00 O flip ATOM 906 NE2 GLN A 59 -22.167 15.393 5.095 1.00 0.00 N flip ATOM 0 H GLN A 59 -20.768 10.383 4.058 1.00 0.00 H new ATOM 0 HA GLN A 59 -23.481 9.979 3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -23.844 12.607 3.051 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -24.105 11.961 4.659 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -22.145 12.881 5.517 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -21.326 12.865 3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -21.618 15.081 5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -22.372 16.385 4.972 1.00 0.00 H new ATOM 915 N VAL A 60 -21.208 11.623 1.683 1.00 0.00 N ATOM 916 CA VAL A 60 -20.780 11.897 0.282 1.00 0.00 C ATOM 917 C VAL A 60 -19.397 11.315 -0.063 1.00 0.00 C ATOM 918 O VAL A 60 -19.007 11.231 -1.249 1.00 0.00 O ATOM 919 CB VAL A 60 -20.784 13.444 0.011 1.00 0.00 C ATOM 920 CG1 VAL A 60 -20.549 13.787 -1.458 1.00 0.00 C ATOM 921 CG2 VAL A 60 -22.092 14.078 0.467 1.00 0.00 C ATOM 0 H VAL A 60 -20.601 12.031 2.393 1.00 0.00 H new ATOM 0 HA VAL A 60 -21.502 11.395 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 60 -19.955 13.850 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -20.562 14.869 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -19.581 13.396 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.336 13.340 -2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -22.066 15.149 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -22.923 13.627 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.224 13.912 1.536 1.00 0.00 H new ATOM 931 N ASP A 61 -18.656 10.910 0.959 1.00 0.00 N ATOM 932 CA ASP A 61 -17.296 10.406 0.767 1.00 0.00 C ATOM 933 C ASP A 61 -17.250 9.223 -0.208 1.00 0.00 C ATOM 934 O ASP A 61 -16.489 9.250 -1.171 1.00 0.00 O ATOM 935 CB ASP A 61 -16.655 10.053 2.115 1.00 0.00 C ATOM 936 CG ASP A 61 -16.898 11.119 3.173 1.00 0.00 C ATOM 937 OD1 ASP A 61 -18.011 11.151 3.738 1.00 0.00 O ATOM 938 OD2 ASP A 61 -15.982 11.926 3.425 1.00 0.00 O ATOM 0 H ASP A 61 -18.970 10.919 1.930 1.00 0.00 H new ATOM 0 HA ASP A 61 -16.710 11.205 0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -17.054 9.101 2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.582 9.919 1.979 1.00 0.00 H new ATOM 943 N LYS A 62 -18.083 8.206 0.030 1.00 0.00 N ATOM 944 CA LYS A 62 -18.154 7.015 -0.854 1.00 0.00 C ATOM 945 C LYS A 62 -18.294 7.366 -2.356 1.00 0.00 C ATOM 946 O LYS A 62 -17.726 6.683 -3.223 1.00 0.00 O ATOM 947 CB LYS A 62 -19.319 6.099 -0.434 1.00 0.00 C ATOM 948 CG LYS A 62 -20.719 6.631 -0.731 1.00 0.00 C ATOM 949 CD LYS A 62 -21.285 6.107 -2.035 1.00 0.00 C ATOM 950 CE LYS A 62 -22.226 7.130 -2.629 1.00 0.00 C ATOM 951 NZ LYS A 62 -22.818 6.671 -3.916 1.00 0.00 N ATOM 0 H LYS A 62 -18.722 8.174 0.825 1.00 0.00 H new ATOM 0 HA LYS A 62 -17.202 6.498 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -19.201 5.139 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.241 5.911 0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -21.387 6.357 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -20.688 7.720 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -20.476 5.893 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.813 5.169 -1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -23.025 7.341 -1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -21.688 8.064 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -23.456 7.404 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -22.058 6.494 -4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.354 5.794 -3.758 1.00 0.00 H new ATOM 965 N VAL A 63 -19.010 8.466 -2.638 1.00 0.00 N ATOM 966 CA VAL A 63 -19.284 8.887 -4.013 1.00 0.00 C ATOM 967 C VAL A 63 -18.058 9.557 -4.620 1.00 0.00 C ATOM 968 O VAL A 63 -17.707 9.324 -5.788 1.00 0.00 O ATOM 969 CB VAL A 63 -20.540 9.816 -4.098 1.00 0.00 C ATOM 970 CG1 VAL A 63 -20.259 11.258 -3.709 1.00 0.00 C ATOM 971 CG2 VAL A 63 -21.157 9.750 -5.484 1.00 0.00 C ATOM 0 H VAL A 63 -19.409 9.079 -1.927 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.511 7.994 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 63 -21.249 9.436 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -21.175 11.842 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -19.898 11.294 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.502 11.673 -4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -22.029 10.402 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.425 10.075 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -21.460 8.725 -5.699 1.00 0.00 H new ATOM 981 N ARG A 64 -17.400 10.370 -3.797 1.00 0.00 N ATOM 982 CA ARG A 64 -16.204 11.070 -4.241 1.00 0.00 C ATOM 983 C ARG A 64 -15.072 10.057 -4.533 1.00 0.00 C ATOM 984 O ARG A 64 -14.328 10.198 -5.523 1.00 0.00 O ATOM 985 CB ARG A 64 -15.837 12.164 -3.215 1.00 0.00 C ATOM 986 CG ARG A 64 -14.467 12.031 -2.600 1.00 0.00 C ATOM 987 CD ARG A 64 -14.496 11.136 -1.382 1.00 0.00 C ATOM 988 NE ARG A 64 -14.380 11.879 -0.112 1.00 0.00 N ATOM 989 CZ ARG A 64 -13.263 12.480 0.337 1.00 0.00 C ATOM 990 NH1 ARG A 64 -12.136 12.450 -0.369 1.00 0.00 N ATOM 991 NH2 ARG A 64 -13.282 13.115 1.501 1.00 0.00 N ATOM 0 H ARG A 64 -17.672 10.557 -2.832 1.00 0.00 H new ATOM 0 HA ARG A 64 -16.382 11.586 -5.184 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.906 13.136 -3.703 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -16.579 12.155 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.774 11.624 -3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.094 13.016 -2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.426 10.567 -1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.681 10.415 -1.449 1.00 0.00 H new ATOM 0 HE ARG A 64 -15.214 11.942 0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.109 11.966 -1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.299 12.911 -0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.140 13.146 2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.438 13.572 1.846 1.00 0.00 H new ATOM 1005 N GLY A 65 -15.002 8.999 -3.702 1.00 0.00 N ATOM 1006 CA GLY A 65 -13.996 7.963 -3.883 1.00 0.00 C ATOM 1007 C GLY A 65 -14.293 7.050 -5.058 1.00 0.00 C ATOM 1008 O GLY A 65 -13.363 6.591 -5.727 1.00 0.00 O ATOM 0 H GLY A 65 -15.628 8.850 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.022 8.431 -4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.929 7.366 -2.973 1.00 0.00 H new ATOM 1012 N THR A 66 -15.592 6.780 -5.318 1.00 0.00 N ATOM 1013 CA THR A 66 -15.976 5.927 -6.455 1.00 0.00 C ATOM 1014 C THR A 66 -15.648 6.633 -7.788 1.00 0.00 C ATOM 1015 O THR A 66 -15.154 6.002 -8.736 1.00 0.00 O ATOM 1016 CB THR A 66 -17.471 5.474 -6.402 1.00 0.00 C ATOM 1017 OG1 THR A 66 -17.700 4.449 -7.376 1.00 0.00 O ATOM 1018 CG2 THR A 66 -18.455 6.610 -6.653 1.00 0.00 C ATOM 0 H THR A 66 -16.374 7.134 -4.767 1.00 0.00 H new ATOM 0 HA THR A 66 -15.385 5.014 -6.385 1.00 0.00 H new ATOM 0 HB THR A 66 -17.645 5.106 -5.391 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.638 4.166 -7.339 1.00 0.00 H new ATOM 0 HG21 THR A 66 -19.474 6.227 -6.602 1.00 0.00 H new ATOM 0 HG22 THR A 66 -18.320 7.383 -5.896 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.276 7.035 -7.641 1.00 0.00 H new ATOM 1026 N LEU A 67 -15.902 7.961 -7.828 1.00 0.00 N ATOM 1027 CA LEU A 67 -15.610 8.785 -9.011 1.00 0.00 C ATOM 1028 C LEU A 67 -14.093 8.871 -9.240 1.00 0.00 C ATOM 1029 O LEU A 67 -13.629 8.825 -10.384 1.00 0.00 O ATOM 1030 CB LEU A 67 -16.210 10.191 -8.847 1.00 0.00 C ATOM 1031 CG LEU A 67 -16.442 10.975 -10.149 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -17.790 10.620 -10.766 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -16.351 12.471 -9.891 1.00 0.00 C ATOM 0 H LEU A 67 -16.309 8.480 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 67 -16.066 8.316 -9.883 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.163 10.100 -8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.549 10.775 -8.206 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.662 10.696 -10.857 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.930 11.188 -11.686 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.818 9.554 -10.990 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -18.587 10.864 -10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.518 13.012 -10.823 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -17.108 12.761 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -15.362 12.714 -9.503 1.00 0.00 H new ATOM 1045 N ALA A 68 -13.328 8.987 -8.133 1.00 0.00 N ATOM 1046 CA ALA A 68 -11.857 9.025 -8.193 1.00 0.00 C ATOM 1047 C ALA A 68 -11.328 7.664 -8.662 1.00 0.00 C ATOM 1048 O ALA A 68 -10.415 7.570 -9.501 1.00 0.00 O ATOM 1049 CB ALA A 68 -11.274 9.375 -6.829 1.00 0.00 C ATOM 0 H ALA A 68 -13.708 9.056 -7.189 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.552 9.794 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.186 9.398 -6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.640 10.353 -6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.578 8.624 -6.100 1.00 0.00 H new ATOM 1055 N LYS A 69 -11.971 6.610 -8.130 1.00 0.00 N ATOM 1056 CA LYS A 69 -11.659 5.224 -8.444 1.00 0.00 C ATOM 1057 C LYS A 69 -11.720 4.983 -9.946 1.00 0.00 C ATOM 1058 O LYS A 69 -10.789 4.430 -10.508 1.00 0.00 O ATOM 1059 CB LYS A 69 -12.621 4.318 -7.675 1.00 0.00 C ATOM 1060 CG LYS A 69 -13.184 3.165 -8.483 1.00 0.00 C ATOM 1061 CD LYS A 69 -12.523 1.837 -8.142 1.00 0.00 C ATOM 1062 CE LYS A 69 -13.434 0.948 -7.309 1.00 0.00 C ATOM 1063 NZ LYS A 69 -13.018 -0.481 -7.362 1.00 0.00 N ATOM 0 H LYS A 69 -12.733 6.710 -7.460 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.640 4.991 -8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.103 3.916 -6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.449 4.922 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.257 3.090 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.052 3.371 -9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.253 1.319 -9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.598 2.021 -7.596 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.427 1.290 -6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.459 1.041 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.848 -1.077 -7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.314 -0.610 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.602 -0.755 -6.449 1.00 0.00 H new ATOM 1077 N LEU A 70 -12.824 5.414 -10.577 1.00 0.00 N ATOM 1078 CA LEU A 70 -13.001 5.279 -12.024 1.00 0.00 C ATOM 1079 C LEU A 70 -11.984 6.172 -12.758 1.00 0.00 C ATOM 1080 O LEU A 70 -11.323 5.727 -13.729 1.00 0.00 O ATOM 1081 CB LEU A 70 -14.467 5.608 -12.381 1.00 0.00 C ATOM 1082 CG LEU A 70 -14.731 6.349 -13.703 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -16.025 5.862 -14.336 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -14.790 7.852 -13.464 1.00 0.00 C ATOM 0 H LEU A 70 -13.608 5.860 -10.101 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.807 4.256 -12.348 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.025 4.672 -12.404 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.883 6.208 -11.571 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.910 6.138 -14.389 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -16.197 6.396 -15.270 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.952 4.793 -14.537 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.855 6.047 -13.655 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.977 8.363 -14.408 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.594 8.078 -12.763 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.841 8.192 -13.049 1.00 0.00 H new ATOM 1096 N GLU A 71 -11.819 7.411 -12.222 1.00 0.00 N ATOM 1097 CA GLU A 71 -10.887 8.417 -12.768 1.00 0.00 C ATOM 1098 C GLU A 71 -9.535 7.776 -13.081 1.00 0.00 C ATOM 1099 O GLU A 71 -8.921 8.059 -14.115 1.00 0.00 O ATOM 1100 CB GLU A 71 -10.767 9.606 -11.771 1.00 0.00 C ATOM 1101 CG GLU A 71 -9.397 9.815 -11.096 1.00 0.00 C ATOM 1102 CD GLU A 71 -8.448 10.650 -11.937 1.00 0.00 C ATOM 1103 OE1 GLU A 71 -7.631 10.059 -12.673 1.00 0.00 O ATOM 1104 OE2 GLU A 71 -8.524 11.894 -11.858 1.00 0.00 O ATOM 0 H GLU A 71 -12.331 7.733 -11.401 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.272 8.810 -13.709 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.027 10.522 -12.302 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.513 9.469 -10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.543 10.300 -10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.942 8.844 -10.899 1.00 0.00 H new ATOM 1111 N ALA A 72 -9.097 6.912 -12.165 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.856 6.179 -12.335 1.00 0.00 C ATOM 1113 C ALA A 72 -8.103 4.843 -13.026 1.00 0.00 C ATOM 1114 O ALA A 72 -7.427 4.515 -13.989 1.00 0.00 O ATOM 1115 CB ALA A 72 -7.196 5.951 -10.998 1.00 0.00 C ATOM 0 H ALA A 72 -9.590 6.707 -11.296 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.194 6.776 -12.963 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.266 5.400 -11.140 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.981 6.912 -10.530 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.864 5.376 -10.356 1.00 0.00 H new ATOM 1121 N PHE A 73 -9.127 4.115 -12.563 1.00 0.00 N ATOM 1122 CA PHE A 73 -9.492 2.776 -13.078 1.00 0.00 C ATOM 1123 C PHE A 73 -9.698 2.723 -14.598 1.00 0.00 C ATOM 1124 O PHE A 73 -9.979 1.654 -15.154 1.00 0.00 O ATOM 1125 CB PHE A 73 -10.750 2.288 -12.347 1.00 0.00 C ATOM 1126 CG PHE A 73 -10.487 1.285 -11.251 1.00 0.00 C ATOM 1127 CD1 PHE A 73 -11.065 0.027 -11.292 1.00 0.00 C ATOM 1128 CD2 PHE A 73 -9.667 1.604 -10.173 1.00 0.00 C ATOM 1129 CE1 PHE A 73 -10.831 -0.890 -10.285 1.00 0.00 C ATOM 1130 CE2 PHE A 73 -9.430 0.690 -9.167 1.00 0.00 C ATOM 1131 CZ PHE A 73 -10.013 -0.558 -9.223 1.00 0.00 C ATOM 0 H PHE A 73 -9.737 4.437 -11.811 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.647 2.117 -12.880 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.263 3.149 -11.919 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.428 1.842 -13.075 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -11.705 -0.240 -12.120 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.210 2.581 -10.123 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.288 -1.867 -10.329 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.789 0.952 -8.338 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.830 -1.276 -8.437 1.00 0.00 H new ATOM 1141 N ALA A 74 -9.557 3.883 -15.249 1.00 0.00 N ATOM 1142 CA ALA A 74 -9.676 4.013 -16.706 1.00 0.00 C ATOM 1143 C ALA A 74 -9.009 2.884 -17.530 1.00 0.00 C ATOM 1144 O ALA A 74 -9.731 2.130 -18.190 1.00 0.00 O ATOM 1145 CB ALA A 74 -9.157 5.378 -17.145 1.00 0.00 C ATOM 0 H ALA A 74 -9.356 4.764 -14.777 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.740 3.916 -16.922 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.247 5.471 -18.227 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.742 6.162 -16.664 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.110 5.479 -16.858 1.00 0.00 H new ATOM 1151 N ASP A 75 -7.665 2.748 -17.513 1.00 0.00 N ATOM 1152 CA ASP A 75 -7.021 1.692 -18.318 1.00 0.00 C ATOM 1153 C ASP A 75 -5.897 0.926 -17.610 1.00 0.00 C ATOM 1154 O ASP A 75 -6.043 -0.266 -17.325 1.00 0.00 O ATOM 1155 CB ASP A 75 -6.528 2.270 -19.660 1.00 0.00 C ATOM 1156 CG ASP A 75 -6.526 1.242 -20.779 1.00 0.00 C ATOM 1157 OD1 ASP A 75 -5.509 0.533 -20.931 1.00 0.00 O ATOM 1158 OD2 ASP A 75 -7.541 1.147 -21.501 1.00 0.00 O ATOM 0 H ASP A 75 -7.027 3.332 -16.972 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.798 0.947 -18.491 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.164 3.109 -19.944 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.519 2.663 -19.532 1.00 0.00 H new ATOM 1163 N THR A 76 -4.791 1.612 -17.332 1.00 0.00 N ATOM 1164 CA THR A 76 -3.609 0.981 -16.722 1.00 0.00 C ATOM 1165 C THR A 76 -3.596 1.215 -15.216 1.00 0.00 C ATOM 1166 O THR A 76 -2.544 1.351 -14.579 1.00 0.00 O ATOM 1167 CB THR A 76 -2.310 1.513 -17.384 1.00 0.00 C ATOM 1168 OG1 THR A 76 -2.509 1.672 -18.796 1.00 0.00 O ATOM 1169 CG2 THR A 76 -1.127 0.573 -17.155 1.00 0.00 C ATOM 0 H THR A 76 -4.682 2.609 -17.518 1.00 0.00 H new ATOM 0 HA THR A 76 -3.659 -0.094 -16.893 1.00 0.00 H new ATOM 0 HB THR A 76 -2.081 2.473 -16.922 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.686 2.010 -19.206 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.238 0.983 -17.635 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.947 0.469 -16.085 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.351 -0.405 -17.582 1.00 0.00 H new ATOM 1177 N VAL A 77 -4.804 1.230 -14.668 1.00 0.00 N ATOM 1178 CA VAL A 77 -5.054 1.465 -13.250 1.00 0.00 C ATOM 1179 C VAL A 77 -6.455 0.934 -12.903 1.00 0.00 C ATOM 1180 O VAL A 77 -7.110 1.391 -11.961 1.00 0.00 O ATOM 1181 CB VAL A 77 -4.919 2.973 -12.913 1.00 0.00 C ATOM 1182 CG1 VAL A 77 -3.519 3.240 -12.381 1.00 0.00 C ATOM 1183 CG2 VAL A 77 -5.196 3.853 -14.138 1.00 0.00 C ATOM 0 H VAL A 77 -5.656 1.076 -15.207 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.314 0.936 -12.650 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.661 3.226 -12.156 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.416 4.298 -12.142 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.352 2.647 -11.482 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.784 2.966 -13.138 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.092 4.903 -13.863 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.484 3.612 -14.927 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.209 3.670 -14.496 1.00 0.00 H new ATOM 1193 N ALA A 78 -6.863 -0.083 -13.684 1.00 0.00 N ATOM 1194 CA ALA A 78 -8.172 -0.734 -13.585 1.00 0.00 C ATOM 1195 C ALA A 78 -8.132 -1.952 -12.620 1.00 0.00 C ATOM 1196 O ALA A 78 -7.175 -2.052 -11.851 1.00 0.00 O ATOM 1197 CB ALA A 78 -8.588 -1.120 -15.005 1.00 0.00 C ATOM 0 H ALA A 78 -6.275 -0.480 -14.416 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.911 -0.058 -13.156 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.561 -1.610 -14.979 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.650 -0.224 -15.622 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.850 -1.802 -15.428 1.00 0.00 H new ATOM 1203 N PRO A 79 -9.169 -2.887 -12.593 1.00 0.00 N ATOM 1204 CA PRO A 79 -9.150 -4.067 -11.691 1.00 0.00 C ATOM 1205 C PRO A 79 -7.930 -4.982 -11.913 1.00 0.00 C ATOM 1206 O PRO A 79 -8.014 -6.024 -12.577 1.00 0.00 O ATOM 1207 CB PRO A 79 -10.454 -4.814 -12.022 1.00 0.00 C ATOM 1208 CG PRO A 79 -11.339 -3.811 -12.666 1.00 0.00 C ATOM 1209 CD PRO A 79 -10.430 -2.858 -13.387 1.00 0.00 C ATOM 0 HA PRO A 79 -9.076 -3.760 -10.648 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -10.265 -5.655 -12.689 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -10.913 -5.219 -11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -12.031 -4.289 -13.359 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.942 -3.289 -11.923 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -10.260 -3.172 -14.417 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.854 -1.855 -13.425 1.00 0.00 H new ATOM 1217 N GLN A 80 -6.796 -4.554 -11.359 1.00 0.00 N ATOM 1218 CA GLN A 80 -5.536 -5.292 -11.456 1.00 0.00 C ATOM 1219 C GLN A 80 -4.914 -5.431 -10.058 1.00 0.00 C ATOM 1220 O GLN A 80 -3.975 -4.716 -9.704 1.00 0.00 O ATOM 1221 CB GLN A 80 -4.583 -4.582 -12.458 1.00 0.00 C ATOM 1222 CG GLN A 80 -4.371 -3.084 -12.221 1.00 0.00 C ATOM 1223 CD GLN A 80 -3.450 -2.454 -13.247 1.00 0.00 C ATOM 1224 OE1 GLN A 80 -3.899 -1.966 -14.284 1.00 0.00 O ATOM 1225 NE2 GLN A 80 -2.153 -2.465 -12.962 1.00 0.00 N ATOM 0 H GLN A 80 -6.725 -3.685 -10.830 1.00 0.00 H new ATOM 0 HA GLN A 80 -5.717 -6.296 -11.839 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -3.613 -5.078 -12.423 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.976 -4.720 -13.465 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.335 -2.577 -12.244 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.956 -2.933 -11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.826 -2.881 -12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.484 -2.058 -13.615 1.00 0.00 H new ATOM 1234 N LEU A 81 -5.440 -6.386 -9.273 1.00 0.00 N ATOM 1235 CA LEU A 81 -4.988 -6.595 -7.883 1.00 0.00 C ATOM 1236 C LEU A 81 -5.342 -7.989 -7.346 1.00 0.00 C ATOM 1237 O LEU A 81 -6.029 -8.773 -8.008 1.00 0.00 O ATOM 1238 CB LEU A 81 -5.605 -5.505 -6.958 1.00 0.00 C ATOM 1239 CG LEU A 81 -7.113 -5.610 -6.618 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -7.544 -4.392 -5.828 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -7.992 -5.759 -7.859 1.00 0.00 C ATOM 0 H LEU A 81 -6.176 -7.025 -9.574 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.901 -6.518 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.050 -5.509 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.434 -4.535 -7.425 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.245 -6.514 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.605 -4.469 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.969 -4.335 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.369 -3.494 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.037 -5.828 -7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.857 -4.893 -8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.709 -6.663 -8.399 1.00 0.00 H new ATOM 1253 N SER A 82 -4.849 -8.268 -6.128 1.00 0.00 N ATOM 1254 CA SER A 82 -5.097 -9.528 -5.431 1.00 0.00 C ATOM 1255 C SER A 82 -6.366 -9.411 -4.539 1.00 0.00 C ATOM 1256 O SER A 82 -6.891 -8.304 -4.385 1.00 0.00 O ATOM 1257 CB SER A 82 -3.861 -9.891 -4.595 1.00 0.00 C ATOM 1258 OG SER A 82 -3.455 -11.229 -4.831 1.00 0.00 O ATOM 0 H SER A 82 -4.265 -7.618 -5.602 1.00 0.00 H new ATOM 0 HA SER A 82 -5.277 -10.322 -6.156 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.043 -9.212 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.083 -9.757 -3.536 1.00 0.00 H new ATOM 0 HG SER A 82 -2.665 -11.432 -4.287 1.00 0.00 H new ATOM 1264 N PRO A 83 -6.889 -10.542 -3.941 1.00 0.00 N ATOM 1265 CA PRO A 83 -8.118 -10.535 -3.094 1.00 0.00 C ATOM 1266 C PRO A 83 -8.228 -9.434 -2.032 1.00 0.00 C ATOM 1267 O PRO A 83 -9.331 -8.920 -1.816 1.00 0.00 O ATOM 1268 CB PRO A 83 -8.086 -11.909 -2.427 1.00 0.00 C ATOM 1269 CG PRO A 83 -7.411 -12.785 -3.415 1.00 0.00 C ATOM 1270 CD PRO A 83 -6.359 -11.931 -4.067 1.00 0.00 C ATOM 0 HA PRO A 83 -8.983 -10.326 -3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.540 -11.880 -1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.092 -12.265 -2.202 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.965 -13.652 -2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.120 -13.163 -4.152 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.395 -12.037 -3.569 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.211 -12.208 -5.111 1.00 0.00 H new ATOM 1278 N GLY A 84 -7.125 -9.064 -1.373 1.00 0.00 N ATOM 1279 CA GLY A 84 -7.226 -8.029 -0.353 1.00 0.00 C ATOM 1280 C GLY A 84 -5.944 -7.759 0.418 1.00 0.00 C ATOM 1281 O GLY A 84 -4.965 -8.494 0.290 1.00 0.00 O ATOM 0 H GLY A 84 -6.192 -9.449 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.549 -7.102 -0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.005 -8.312 0.355 1.00 0.00 H new ATOM 1285 N ASP A 85 -5.990 -6.693 1.258 1.00 0.00 N ATOM 1286 CA ASP A 85 -4.857 -6.225 2.114 1.00 0.00 C ATOM 1287 C ASP A 85 -3.492 -6.143 1.386 1.00 0.00 C ATOM 1288 O ASP A 85 -2.509 -6.750 1.827 1.00 0.00 O ATOM 1289 CB ASP A 85 -4.728 -7.059 3.418 1.00 0.00 C ATOM 1290 CG ASP A 85 -4.648 -8.566 3.208 1.00 0.00 C ATOM 1291 OD1 ASP A 85 -3.522 -9.086 3.060 1.00 0.00 O ATOM 1292 OD2 ASP A 85 -5.712 -9.220 3.193 1.00 0.00 O ATOM 0 H ASP A 85 -6.828 -6.121 1.365 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.122 -5.200 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.837 -6.733 3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.583 -6.840 4.058 1.00 0.00 H new ATOM 1297 N ILE A 86 -3.445 -5.422 0.251 1.00 0.00 N ATOM 1298 CA ILE A 86 -2.191 -5.254 -0.511 1.00 0.00 C ATOM 1299 C ILE A 86 -2.100 -3.911 -1.273 1.00 0.00 C ATOM 1300 O ILE A 86 -3.119 -3.328 -1.658 1.00 0.00 O ATOM 1301 CB ILE A 86 -1.890 -6.448 -1.486 1.00 0.00 C ATOM 1302 CG1 ILE A 86 -3.086 -7.402 -1.672 1.00 0.00 C ATOM 1303 CG2 ILE A 86 -0.689 -7.230 -0.980 1.00 0.00 C ATOM 1304 CD1 ILE A 86 -4.079 -6.970 -2.731 1.00 0.00 C ATOM 0 H ILE A 86 -4.252 -4.950 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.420 -5.247 0.259 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.682 -6.010 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.708 -8.391 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.609 -7.498 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.482 -8.058 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.180 -6.573 -0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.902 -7.621 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.886 -7.700 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.491 -5.996 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.576 -6.903 -3.696 1.00 0.00 H new ATOM 1316 N VAL A 87 -0.843 -3.427 -1.419 1.00 0.00 N ATOM 1317 CA VAL A 87 -0.460 -2.215 -2.195 1.00 0.00 C ATOM 1318 C VAL A 87 0.968 -2.474 -2.756 1.00 0.00 C ATOM 1319 O VAL A 87 1.834 -2.894 -1.981 1.00 0.00 O ATOM 1320 CB VAL A 87 -0.518 -0.912 -1.322 1.00 0.00 C ATOM 1321 CG1 VAL A 87 0.368 -0.991 -0.076 1.00 0.00 C ATOM 1322 CG2 VAL A 87 -0.177 0.333 -2.142 1.00 0.00 C ATOM 0 H VAL A 87 -0.039 -3.882 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.167 -2.045 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.549 -0.829 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.287 -0.062 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.044 -1.824 0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.405 -1.144 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.228 1.215 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.830 0.237 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.890 0.436 -2.960 1.00 0.00 H new ATOM 1332 N VAL A 88 1.242 -2.238 -4.071 1.00 0.00 N ATOM 1333 CA VAL A 88 2.579 -2.564 -4.608 1.00 0.00 C ATOM 1334 C VAL A 88 3.581 -1.402 -4.493 1.00 0.00 C ATOM 1335 O VAL A 88 3.316 -0.300 -4.965 1.00 0.00 O ATOM 1336 CB VAL A 88 2.540 -3.022 -6.093 1.00 0.00 C ATOM 1337 CG1 VAL A 88 3.676 -3.993 -6.403 1.00 0.00 C ATOM 1338 CG2 VAL A 88 1.209 -3.635 -6.498 1.00 0.00 C ATOM 0 H VAL A 88 0.585 -1.842 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 88 2.917 -3.389 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 88 2.669 -2.115 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.621 -4.295 -7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.633 -3.505 -6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.586 -4.873 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.249 -3.933 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.008 -4.510 -5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.414 -2.902 -6.360 1.00 0.00 H new ATOM 1348 N ALA A 89 4.726 -1.686 -3.835 1.00 0.00 N ATOM 1349 CA ALA A 89 5.836 -0.741 -3.658 1.00 0.00 C ATOM 1350 C ALA A 89 7.154 -1.520 -3.623 1.00 0.00 C ATOM 1351 O ALA A 89 7.511 -2.106 -2.592 1.00 0.00 O ATOM 1352 CB ALA A 89 5.652 0.082 -2.380 1.00 0.00 C ATOM 0 H ALA A 89 4.902 -2.595 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 89 5.853 -0.043 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.486 0.775 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.720 0.643 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.619 -0.586 -1.519 1.00 0.00 H new ATOM 1358 N LEU A 90 7.866 -1.545 -4.758 1.00 0.00 N ATOM 1359 CA LEU A 90 9.132 -2.289 -4.848 1.00 0.00 C ATOM 1360 C LEU A 90 10.265 -1.436 -5.391 1.00 0.00 C ATOM 1361 O LEU A 90 10.033 -0.560 -6.209 1.00 0.00 O ATOM 1362 CB LEU A 90 8.972 -3.574 -5.703 1.00 0.00 C ATOM 1363 CG LEU A 90 8.587 -3.454 -7.212 1.00 0.00 C ATOM 1364 CD1 LEU A 90 8.136 -4.805 -7.744 1.00 0.00 C ATOM 1365 CD2 LEU A 90 7.488 -2.425 -7.481 1.00 0.00 C ATOM 0 H LEU A 90 7.593 -1.066 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 90 9.393 -2.577 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.913 -4.121 -5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.215 -4.194 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 90 9.485 -3.112 -7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.870 -4.711 -8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.946 -5.527 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.269 -5.147 -7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.271 -2.395 -8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.587 -2.704 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.822 -1.441 -7.150 1.00 0.00 H new ATOM 1377 N GLY A 91 11.487 -1.687 -4.896 1.00 0.00 N ATOM 1378 CA GLY A 91 12.669 -0.958 -5.359 1.00 0.00 C ATOM 1379 C GLY A 91 12.781 0.447 -4.794 1.00 0.00 C ATOM 1380 O GLY A 91 12.728 0.636 -3.578 1.00 0.00 O ATOM 0 H GLY A 91 11.678 -2.387 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.562 -1.521 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.647 -0.902 -6.447 1.00 0.00 H new ATOM 1384 N HIS A 92 12.912 1.435 -5.695 1.00 0.00 N ATOM 1385 CA HIS A 92 13.042 2.859 -5.308 1.00 0.00 C ATOM 1386 C HIS A 92 11.732 3.364 -4.711 1.00 0.00 C ATOM 1387 O HIS A 92 10.953 4.083 -5.347 1.00 0.00 O ATOM 1388 CB HIS A 92 13.447 3.717 -6.505 1.00 0.00 C ATOM 1389 CG HIS A 92 13.991 5.069 -6.145 1.00 0.00 C ATOM 1390 ND1 HIS A 92 15.340 5.353 -6.122 1.00 0.00 N ATOM 1391 CD2 HIS A 92 13.361 6.216 -5.794 1.00 0.00 C ATOM 1392 CE1 HIS A 92 15.518 6.614 -5.771 1.00 0.00 C ATOM 1393 NE2 HIS A 92 14.333 7.159 -5.567 1.00 0.00 N ATOM 0 H HIS A 92 12.931 1.277 -6.703 1.00 0.00 H new ATOM 0 HA HIS A 92 13.826 2.938 -4.555 1.00 0.00 H new ATOM 0 HB2 HIS A 92 14.198 3.179 -7.084 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.580 3.849 -7.152 1.00 0.00 H new ATOM 0 HD2 HIS A 92 12.294 6.361 -5.709 1.00 0.00 H new ATOM 0 HE1 HIS A 92 16.470 7.114 -5.668 1.00 0.00 H new ATOM 0 HE2 HIS A 92 14.166 8.125 -5.286 1.00 0.00 H new ATOM 1402 N THR A 93 11.518 2.953 -3.481 1.00 0.00 N ATOM 1403 CA THR A 93 10.310 3.272 -2.738 1.00 0.00 C ATOM 1404 C THR A 93 10.692 3.804 -1.345 1.00 0.00 C ATOM 1405 O THR A 93 11.257 3.053 -0.545 1.00 0.00 O ATOM 1406 CB THR A 93 9.400 2.007 -2.661 1.00 0.00 C ATOM 1407 OG1 THR A 93 9.993 1.013 -1.811 1.00 0.00 O ATOM 1408 CG2 THR A 93 9.203 1.419 -4.065 1.00 0.00 C ATOM 0 H THR A 93 12.182 2.381 -2.959 1.00 0.00 H new ATOM 0 HA THR A 93 9.744 4.054 -3.244 1.00 0.00 H new ATOM 0 HB THR A 93 8.435 2.301 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.592 1.447 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.567 0.536 -4.004 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.731 2.162 -4.708 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.171 1.140 -4.482 1.00 0.00 H new ATOM 1416 N PRO A 94 10.403 5.114 -1.029 1.00 0.00 N ATOM 1417 CA PRO A 94 10.782 5.728 0.268 1.00 0.00 C ATOM 1418 C PRO A 94 10.112 5.070 1.485 1.00 0.00 C ATOM 1419 O PRO A 94 9.085 5.541 1.990 1.00 0.00 O ATOM 1420 CB PRO A 94 10.360 7.200 0.116 1.00 0.00 C ATOM 1421 CG PRO A 94 9.330 7.213 -0.960 1.00 0.00 C ATOM 1422 CD PRO A 94 9.681 6.088 -1.894 1.00 0.00 C ATOM 0 HA PRO A 94 11.846 5.601 0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.956 7.590 1.050 1.00 0.00 H new ATOM 0 HB3 PRO A 94 11.212 7.826 -0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.332 7.076 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.328 8.168 -1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.790 5.644 -2.337 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.308 6.433 -2.716 1.00 0.00 H new ATOM 1430 N VAL A 95 10.723 3.966 1.934 1.00 0.00 N ATOM 1431 CA VAL A 95 10.239 3.190 3.084 1.00 0.00 C ATOM 1432 C VAL A 95 11.370 2.378 3.719 1.00 0.00 C ATOM 1433 O VAL A 95 11.515 2.353 4.945 1.00 0.00 O ATOM 1434 CB VAL A 95 9.080 2.213 2.716 1.00 0.00 C ATOM 1435 CG1 VAL A 95 7.754 2.949 2.680 1.00 0.00 C ATOM 1436 CG2 VAL A 95 9.319 1.495 1.384 1.00 0.00 C ATOM 0 H VAL A 95 11.568 3.585 1.509 1.00 0.00 H new ATOM 0 HA VAL A 95 9.858 3.927 3.791 1.00 0.00 H new ATOM 0 HB VAL A 95 9.050 1.451 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.957 2.251 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.552 3.383 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.798 3.742 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.483 0.827 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.404 2.231 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.240 0.915 1.443 1.00 0.00 H new ATOM 1446 N GLY A 96 12.163 1.722 2.862 1.00 0.00 N ATOM 1447 CA GLY A 96 13.261 0.885 3.322 1.00 0.00 C ATOM 1448 C GLY A 96 14.590 1.599 3.405 1.00 0.00 C ATOM 1449 O GLY A 96 15.041 2.211 2.432 1.00 0.00 O ATOM 0 H GLY A 96 12.059 1.759 1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.013 0.487 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.360 0.033 2.650 1.00 0.00 H new ATOM 1453 N GLY A 97 15.209 1.511 4.590 1.00 0.00 N ATOM 1454 CA GLY A 97 16.529 2.097 4.819 1.00 0.00 C ATOM 1455 C GLY A 97 17.631 1.157 4.349 1.00 0.00 C ATOM 1456 O GLY A 97 18.822 1.427 4.522 1.00 0.00 O ATOM 0 H GLY A 97 14.813 1.039 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.606 3.047 4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.657 2.312 5.880 1.00 0.00 H new ATOM 1460 N ILE A 98 17.186 0.046 3.748 1.00 0.00 N ATOM 1461 CA ILE A 98 18.042 -0.999 3.198 1.00 0.00 C ATOM 1462 C ILE A 98 18.445 -0.618 1.751 1.00 0.00 C ATOM 1463 O ILE A 98 17.984 0.407 1.241 1.00 0.00 O ATOM 1464 CB ILE A 98 17.295 -2.396 3.299 1.00 0.00 C ATOM 1465 CG1 ILE A 98 17.887 -3.497 2.397 1.00 0.00 C ATOM 1466 CG2 ILE A 98 15.795 -2.259 3.023 1.00 0.00 C ATOM 1467 CD1 ILE A 98 19.120 -4.170 2.968 1.00 0.00 C ATOM 0 H ILE A 98 16.192 -0.151 3.631 1.00 0.00 H new ATOM 0 HA ILE A 98 18.966 -1.094 3.769 1.00 0.00 H new ATOM 0 HB ILE A 98 17.450 -2.714 4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 98 17.124 -4.254 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 98 18.139 -3.063 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.320 -3.237 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.352 -1.580 3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.645 -1.862 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 98 19.474 -4.931 2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 98 19.902 -3.427 3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 98 18.871 -4.637 3.921 1.00 0.00 H new ATOM 1479 N PHE A 99 19.324 -1.411 1.117 1.00 0.00 N ATOM 1480 CA PHE A 99 19.763 -1.136 -0.255 1.00 0.00 C ATOM 1481 C PHE A 99 19.710 -2.399 -1.126 1.00 0.00 C ATOM 1482 O PHE A 99 20.677 -3.169 -1.194 1.00 0.00 O ATOM 1483 CB PHE A 99 21.183 -0.548 -0.254 1.00 0.00 C ATOM 1484 CG PHE A 99 21.275 0.827 0.352 1.00 0.00 C ATOM 1485 CD1 PHE A 99 21.517 0.986 1.707 1.00 0.00 C ATOM 1486 CD2 PHE A 99 21.120 1.957 -0.436 1.00 0.00 C ATOM 1487 CE1 PHE A 99 21.603 2.247 2.265 1.00 0.00 C ATOM 1488 CE2 PHE A 99 21.204 3.220 0.118 1.00 0.00 C ATOM 1489 CZ PHE A 99 21.446 3.366 1.470 1.00 0.00 C ATOM 0 H PHE A 99 19.741 -2.244 1.533 1.00 0.00 H new ATOM 0 HA PHE A 99 19.077 -0.406 -0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 99 21.843 -1.220 0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 99 21.549 -0.507 -1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 99 21.640 0.115 2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 99 20.932 1.849 -1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 99 21.793 2.358 3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 99 21.080 4.093 -0.506 1.00 0.00 H new ATOM 0 HZ PHE A 99 21.512 4.352 1.905 1.00 0.00 H new ATOM 1499 N ASP A 100 18.553 -2.602 -1.786 1.00 0.00 N ATOM 1500 CA ASP A 100 18.321 -3.733 -2.692 1.00 0.00 C ATOM 1501 C ASP A 100 17.212 -3.404 -3.691 1.00 0.00 C ATOM 1502 O ASP A 100 16.082 -3.140 -3.305 1.00 0.00 O ATOM 1503 CB ASP A 100 17.924 -5.002 -1.912 1.00 0.00 C ATOM 1504 CG ASP A 100 19.074 -5.596 -1.117 1.00 0.00 C ATOM 1505 OD1 ASP A 100 18.931 -5.747 0.113 1.00 0.00 O ATOM 1506 OD2 ASP A 100 20.122 -5.898 -1.725 1.00 0.00 O ATOM 0 H ASP A 100 17.750 -1.978 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 100 19.255 -3.917 -3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.106 -4.763 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.549 -5.749 -2.612 1.00 0.00 H new ATOM 1511 N LEU A 101 17.527 -3.491 -4.980 1.00 0.00 N ATOM 1512 CA LEU A 101 16.547 -3.227 -6.038 1.00 0.00 C ATOM 1513 C LEU A 101 16.244 -4.517 -6.790 1.00 0.00 C ATOM 1514 O LEU A 101 17.157 -5.182 -7.284 1.00 0.00 O ATOM 1515 CB LEU A 101 17.076 -2.172 -7.012 1.00 0.00 C ATOM 1516 CG LEU A 101 16.135 -0.998 -7.345 1.00 0.00 C ATOM 1517 CD1 LEU A 101 16.046 -0.009 -6.185 1.00 0.00 C ATOM 1518 CD2 LEU A 101 16.618 -0.288 -8.600 1.00 0.00 C ATOM 0 H LEU A 101 18.455 -3.743 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 101 15.633 -2.849 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 101 17.998 -1.762 -6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.338 -2.672 -7.944 1.00 0.00 H new ATOM 0 HG LEU A 101 15.138 -1.402 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.374 0.807 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.663 -0.519 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 101 17.037 0.392 -5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.948 0.541 -8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.626 0.094 -8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 101 16.627 -0.989 -9.434 1.00 0.00 H new ATOM 1530 N LYS A 102 14.978 -4.929 -6.776 1.00 0.00 N ATOM 1531 CA LYS A 102 14.568 -6.134 -7.490 1.00 0.00 C ATOM 1532 C LYS A 102 14.087 -5.826 -8.911 1.00 0.00 C ATOM 1533 O LYS A 102 13.028 -5.223 -9.115 1.00 0.00 O ATOM 1534 CB LYS A 102 13.509 -6.920 -6.684 1.00 0.00 C ATOM 1535 CG LYS A 102 12.196 -6.166 -6.424 1.00 0.00 C ATOM 1536 CD LYS A 102 11.075 -6.626 -7.347 1.00 0.00 C ATOM 1537 CE LYS A 102 10.077 -7.503 -6.608 1.00 0.00 C ATOM 1538 NZ LYS A 102 8.980 -7.970 -7.499 1.00 0.00 N ATOM 0 H LYS A 102 14.225 -4.450 -6.282 1.00 0.00 H new ATOM 0 HA LYS A 102 15.448 -6.769 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 102 13.280 -7.843 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.942 -7.205 -5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.894 -6.313 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.360 -5.097 -6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.563 -5.758 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.496 -7.179 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.594 -8.365 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.653 -6.946 -5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.062 -7.722 -7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.070 -7.513 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.041 -9.002 -7.613 1.00 0.00 H new ATOM 1552 N VAL A 103 14.912 -6.210 -9.887 1.00 0.00 N ATOM 1553 CA VAL A 103 14.589 -6.015 -11.299 1.00 0.00 C ATOM 1554 C VAL A 103 15.083 -7.234 -12.108 1.00 0.00 C ATOM 1555 O VAL A 103 16.211 -7.244 -12.620 1.00 0.00 O ATOM 1556 CB VAL A 103 15.175 -4.682 -11.884 1.00 0.00 C ATOM 1557 CG1 VAL A 103 14.735 -4.465 -13.333 1.00 0.00 C ATOM 1558 CG2 VAL A 103 14.757 -3.476 -11.044 1.00 0.00 C ATOM 0 H VAL A 103 15.813 -6.660 -9.723 1.00 0.00 H new ATOM 0 HA VAL A 103 13.506 -5.928 -11.381 1.00 0.00 H new ATOM 0 HB VAL A 103 16.260 -4.777 -11.855 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.159 -3.533 -13.706 1.00 0.00 H new ATOM 0 HG12 VAL A 103 15.085 -5.294 -13.948 1.00 0.00 H new ATOM 0 HG13 VAL A 103 13.647 -4.413 -13.379 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.179 -2.568 -11.475 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.670 -3.400 -11.032 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.124 -3.598 -10.025 1.00 0.00 H new ATOM 1568 N GLY A 104 14.240 -8.281 -12.157 1.00 0.00 N ATOM 1569 CA GLY A 104 14.546 -9.514 -12.899 1.00 0.00 C ATOM 1570 C GLY A 104 15.884 -10.147 -12.555 1.00 0.00 C ATOM 1571 O GLY A 104 16.009 -10.823 -11.531 1.00 0.00 O ATOM 0 H GLY A 104 13.335 -8.295 -11.687 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.756 -10.241 -12.710 1.00 0.00 H new ATOM 0 HA3 GLY A 104 14.527 -9.294 -13.966 1.00 0.00 H new ATOM 1575 N SER A 105 16.884 -9.925 -13.425 1.00 0.00 N ATOM 1576 CA SER A 105 18.242 -10.456 -13.219 1.00 0.00 C ATOM 1577 C SER A 105 18.989 -9.621 -12.164 1.00 0.00 C ATOM 1578 O SER A 105 20.207 -9.738 -11.981 1.00 0.00 O ATOM 1579 CB SER A 105 19.011 -10.461 -14.545 1.00 0.00 C ATOM 1580 OG SER A 105 18.349 -11.253 -15.516 1.00 0.00 O ATOM 0 H SER A 105 16.776 -9.380 -14.280 1.00 0.00 H new ATOM 0 HA SER A 105 18.168 -11.481 -12.855 1.00 0.00 H new ATOM 0 HB2 SER A 105 19.114 -9.440 -14.913 1.00 0.00 H new ATOM 0 HB3 SER A 105 20.018 -10.845 -14.383 1.00 0.00 H new ATOM 0 HG SER A 105 18.859 -11.238 -16.353 1.00 0.00 H new ATOM 1586 N THR A 106 18.206 -8.797 -11.470 1.00 0.00 N ATOM 1587 CA THR A 106 18.669 -7.913 -10.412 1.00 0.00 C ATOM 1588 C THR A 106 17.627 -7.946 -9.293 1.00 0.00 C ATOM 1589 O THR A 106 17.440 -6.979 -8.560 1.00 0.00 O ATOM 1590 CB THR A 106 18.805 -6.465 -10.937 1.00 0.00 C ATOM 1591 OG1 THR A 106 19.207 -6.471 -12.310 1.00 0.00 O ATOM 1592 CG2 THR A 106 19.809 -5.658 -10.118 1.00 0.00 C ATOM 0 H THR A 106 17.202 -8.727 -11.637 1.00 0.00 H new ATOM 0 HA THR A 106 19.644 -8.242 -10.053 1.00 0.00 H new ATOM 0 HB THR A 106 17.828 -5.992 -10.841 1.00 0.00 H new ATOM 0 HG1 THR A 106 18.438 -6.692 -12.875 1.00 0.00 H new ATOM 0 HG21 THR A 106 19.876 -4.646 -10.519 1.00 0.00 H new ATOM 0 HG22 THR A 106 19.481 -5.616 -9.079 1.00 0.00 H new ATOM 0 HG23 THR A 106 20.788 -6.134 -10.171 1.00 0.00 H new ATOM 1600 N LYS A 107 16.965 -9.098 -9.176 1.00 0.00 N ATOM 1601 CA LYS A 107 15.890 -9.310 -8.215 1.00 0.00 C ATOM 1602 C LYS A 107 16.371 -9.321 -6.742 1.00 0.00 C ATOM 1603 O LYS A 107 16.674 -10.376 -6.173 1.00 0.00 O ATOM 1604 CB LYS A 107 15.159 -10.611 -8.603 1.00 0.00 C ATOM 1605 CG LYS A 107 13.722 -10.734 -8.084 1.00 0.00 C ATOM 1606 CD LYS A 107 12.725 -9.930 -8.923 1.00 0.00 C ATOM 1607 CE LYS A 107 12.069 -10.786 -10.000 1.00 0.00 C ATOM 1608 NZ LYS A 107 11.119 -9.998 -10.833 1.00 0.00 N ATOM 0 H LYS A 107 17.164 -9.915 -9.753 1.00 0.00 H new ATOM 0 HA LYS A 107 15.203 -8.465 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.143 -10.689 -9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.736 -11.458 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.428 -11.784 -8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.682 -10.391 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.956 -9.513 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.238 -9.089 -9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.839 -11.219 -10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.539 -11.616 -9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.583 -10.641 -11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.461 -9.482 -10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.649 -9.320 -11.417 1.00 0.00 H new ATOM 1622 N HIS A 108 16.445 -8.111 -6.152 1.00 0.00 N ATOM 1623 CA HIS A 108 16.823 -7.921 -4.745 1.00 0.00 C ATOM 1624 C HIS A 108 15.964 -6.782 -4.204 1.00 0.00 C ATOM 1625 O HIS A 108 16.225 -5.637 -4.485 1.00 0.00 O ATOM 1626 CB HIS A 108 18.322 -7.588 -4.569 1.00 0.00 C ATOM 1627 CG HIS A 108 19.269 -8.440 -5.371 1.00 0.00 C ATOM 1628 ND1 HIS A 108 20.152 -7.913 -6.291 1.00 0.00 N ATOM 1629 CD2 HIS A 108 19.473 -9.778 -5.384 1.00 0.00 C ATOM 1630 CE1 HIS A 108 20.856 -8.890 -6.833 1.00 0.00 C ATOM 1631 NE2 HIS A 108 20.464 -10.032 -6.299 1.00 0.00 N ATOM 0 H HIS A 108 16.243 -7.239 -6.642 1.00 0.00 H new ATOM 0 HA HIS A 108 16.656 -8.850 -4.199 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.480 -6.544 -4.841 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.577 -7.685 -3.514 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.952 -10.510 -4.785 1.00 0.00 H new ATOM 0 HE1 HIS A 108 21.622 -8.774 -7.585 1.00 0.00 H new ATOM 0 HE2 HIS A 108 20.837 -10.953 -6.529 1.00 0.00 H new ATOM 1640 N THR A 109 14.953 -7.098 -3.414 1.00 0.00 N ATOM 1641 CA THR A 109 14.017 -6.075 -2.928 1.00 0.00 C ATOM 1642 C THR A 109 14.334 -5.496 -1.552 1.00 0.00 C ATOM 1643 O THR A 109 14.546 -6.225 -0.585 1.00 0.00 O ATOM 1644 CB THR A 109 12.570 -6.631 -2.887 1.00 0.00 C ATOM 1645 OG1 THR A 109 12.384 -7.637 -3.889 1.00 0.00 O ATOM 1646 CG2 THR A 109 11.524 -5.526 -3.070 1.00 0.00 C ATOM 0 H THR A 109 14.752 -8.045 -3.092 1.00 0.00 H new ATOM 0 HA THR A 109 14.123 -5.262 -3.647 1.00 0.00 H new ATOM 0 HB THR A 109 12.429 -7.071 -1.900 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.427 -7.748 -4.068 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.525 -5.961 -3.035 1.00 0.00 H new ATOM 0 HG22 THR A 109 11.628 -4.791 -2.272 1.00 0.00 H new ATOM 0 HG23 THR A 109 11.674 -5.039 -4.034 1.00 0.00 H new ATOM 1654 N LEU A 110 14.363 -4.155 -1.513 1.00 0.00 N ATOM 1655 CA LEU A 110 14.541 -3.397 -0.274 1.00 0.00 C ATOM 1656 C LEU A 110 13.199 -2.708 0.096 1.00 0.00 C ATOM 1657 O LEU A 110 12.872 -1.644 -0.438 1.00 0.00 O ATOM 1658 CB LEU A 110 15.692 -2.350 -0.468 1.00 0.00 C ATOM 1659 CG LEU A 110 15.344 -0.979 -1.129 1.00 0.00 C ATOM 1660 CD1 LEU A 110 16.569 -0.096 -1.229 1.00 0.00 C ATOM 1661 CD2 LEU A 110 14.738 -1.139 -2.518 1.00 0.00 C ATOM 0 H LEU A 110 14.263 -3.569 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 110 14.822 -4.060 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 110 16.124 -2.146 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.471 -2.820 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 110 14.602 -0.512 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 110 16.297 0.852 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 110 16.966 0.089 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 110 17.327 -0.592 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.515 -0.156 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 110 15.446 -1.654 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.819 -1.721 -2.449 1.00 0.00 H new ATOM 1673 N GLN A 111 12.383 -3.312 0.977 1.00 0.00 N ATOM 1674 CA GLN A 111 11.115 -2.662 1.349 1.00 0.00 C ATOM 1675 C GLN A 111 10.710 -2.961 2.791 1.00 0.00 C ATOM 1676 O GLN A 111 10.065 -3.969 3.085 1.00 0.00 O ATOM 1677 CB GLN A 111 9.998 -3.064 0.361 1.00 0.00 C ATOM 1678 CG GLN A 111 8.885 -2.027 0.193 1.00 0.00 C ATOM 1679 CD GLN A 111 7.875 -2.044 1.327 1.00 0.00 C ATOM 1680 OE1 GLN A 111 8.036 -1.344 2.327 1.00 0.00 O ATOM 1681 NE2 GLN A 111 6.826 -2.844 1.174 1.00 0.00 N ATOM 0 H GLN A 111 12.566 -4.209 1.427 1.00 0.00 H new ATOM 0 HA GLN A 111 11.268 -1.585 1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.446 -3.256 -0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.554 -4.001 0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.330 -1.034 0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 111 8.367 -2.209 -0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 111 6.733 -3.407 0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 111 6.113 -2.896 1.902 1.00 0.00 H new ATOM 1690 N ALA A 112 11.102 -2.048 3.672 1.00 0.00 N ATOM 1691 CA ALA A 112 10.781 -2.125 5.095 1.00 0.00 C ATOM 1692 C ALA A 112 9.834 -1.002 5.506 1.00 0.00 C ATOM 1693 O ALA A 112 10.270 0.138 5.716 1.00 0.00 O ATOM 1694 CB ALA A 112 12.056 -2.114 5.934 1.00 0.00 C ATOM 0 H ALA A 112 11.654 -1.229 3.419 1.00 0.00 H new ATOM 0 HA ALA A 112 10.266 -3.068 5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.796 -2.172 6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.676 -2.969 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.607 -1.193 5.746 1.00 0.00 H new ATOM 1700 N ILE A 113 8.535 -1.309 5.599 1.00 0.00 N ATOM 1701 CA ILE A 113 7.561 -0.300 6.007 1.00 0.00 C ATOM 1702 C ILE A 113 6.934 -0.645 7.372 1.00 0.00 C ATOM 1703 O ILE A 113 7.186 0.072 8.346 1.00 0.00 O ATOM 1704 CB ILE A 113 6.496 0.018 4.890 1.00 0.00 C ATOM 1705 CG1 ILE A 113 5.504 1.106 5.368 1.00 0.00 C ATOM 1706 CG2 ILE A 113 5.762 -1.232 4.390 1.00 0.00 C ATOM 1707 CD1 ILE A 113 4.853 1.913 4.255 1.00 0.00 C ATOM 0 H ILE A 113 8.143 -2.230 5.401 1.00 0.00 H new ATOM 0 HA ILE A 113 8.106 0.634 6.141 1.00 0.00 H new ATOM 0 HB ILE A 113 7.046 0.407 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.721 0.629 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.031 1.790 6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.042 -0.948 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.483 -1.934 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.239 -1.704 5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 113 4.176 2.649 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.623 2.424 3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.293 1.245 3.601 1.00 0.00 H new ATOM 1719 N GLU A 114 6.125 -1.724 7.462 1.00 0.00 N ATOM 1720 CA GLU A 114 5.490 -2.097 8.759 1.00 0.00 C ATOM 1721 C GLU A 114 4.910 -3.522 8.679 1.00 0.00 C ATOM 1722 O GLU A 114 5.182 -4.233 7.722 1.00 0.00 O ATOM 1723 CB GLU A 114 4.420 -1.002 9.135 1.00 0.00 C ATOM 1724 CG GLU A 114 3.203 -1.450 9.954 1.00 0.00 C ATOM 1725 CD GLU A 114 3.445 -1.397 11.450 1.00 0.00 C ATOM 1726 OE1 GLU A 114 3.184 -0.337 12.057 1.00 0.00 O ATOM 1727 OE2 GLU A 114 3.896 -2.416 12.015 1.00 0.00 O ATOM 0 H GLU A 114 5.897 -2.340 6.681 1.00 0.00 H new ATOM 0 HA GLU A 114 6.229 -2.120 9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.927 -0.214 9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.056 -0.556 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.352 -0.816 9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.936 -2.468 9.670 1.00 0.00 H new ATOM 1734 N THR A 115 4.212 -3.972 9.732 1.00 0.00 N ATOM 1735 CA THR A 115 3.552 -5.273 9.709 1.00 0.00 C ATOM 1736 C THR A 115 2.060 -5.078 10.029 1.00 0.00 C ATOM 1737 O THR A 115 1.610 -5.281 11.164 1.00 0.00 O ATOM 1738 CB THR A 115 4.201 -6.271 10.709 1.00 0.00 C ATOM 1739 OG1 THR A 115 5.608 -6.016 10.822 1.00 0.00 O ATOM 1740 CG2 THR A 115 3.991 -7.715 10.262 1.00 0.00 C ATOM 0 H THR A 115 4.094 -3.453 10.602 1.00 0.00 H new ATOM 0 HA THR A 115 3.667 -5.705 8.715 1.00 0.00 H new ATOM 0 HB THR A 115 3.720 -6.128 11.677 1.00 0.00 H new ATOM 0 HG1 THR A 115 6.005 -6.649 11.456 1.00 0.00 H new ATOM 0 HG21 THR A 115 4.456 -8.390 10.981 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.923 -7.926 10.204 1.00 0.00 H new ATOM 0 HG23 THR A 115 4.444 -7.862 9.281 1.00 0.00 H new ATOM 1748 N ARG A 116 1.312 -4.656 9.000 1.00 0.00 N ATOM 1749 CA ARG A 116 -0.133 -4.424 9.101 1.00 0.00 C ATOM 1750 C ARG A 116 -0.851 -5.044 7.909 1.00 0.00 C ATOM 1751 O ARG A 116 -0.479 -4.780 6.766 1.00 0.00 O ATOM 1752 CB ARG A 116 -0.440 -2.920 9.179 1.00 0.00 C ATOM 1753 CG ARG A 116 -0.140 -2.292 10.538 1.00 0.00 C ATOM 1754 CD ARG A 116 -1.306 -2.449 11.507 1.00 0.00 C ATOM 1755 NE ARG A 116 -1.007 -1.881 12.826 1.00 0.00 N ATOM 1756 CZ ARG A 116 -1.799 -1.992 13.902 1.00 0.00 C ATOM 1757 NH1 ARG A 116 -2.955 -2.651 13.843 1.00 0.00 N ATOM 1758 NH2 ARG A 116 -1.427 -1.437 15.048 1.00 0.00 N ATOM 0 H ARG A 116 1.694 -4.466 8.073 1.00 0.00 H new ATOM 0 HA ARG A 116 -0.492 -4.896 10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.140 -2.402 8.415 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -1.492 -2.762 8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.750 -2.755 10.963 1.00 0.00 H new ATOM 0 HG3 ARG A 116 0.083 -1.233 10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -2.189 -1.960 11.094 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -1.548 -3.506 11.614 1.00 0.00 H new ATOM 0 HE ARG A 116 -0.134 -1.365 12.932 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -3.252 -3.083 12.968 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -3.543 -2.724 14.673 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -0.544 -0.930 15.106 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -2.024 -1.517 15.871 1.00 0.00 H new ATOM 1772 N VAL A 117 -1.852 -5.884 8.180 1.00 0.00 N ATOM 1773 CA VAL A 117 -2.624 -6.547 7.123 1.00 0.00 C ATOM 1774 C VAL A 117 -4.147 -6.384 7.309 1.00 0.00 C ATOM 1775 O VAL A 117 -4.764 -7.192 8.016 1.00 0.00 O ATOM 1776 CB VAL A 117 -2.273 -8.071 7.016 1.00 0.00 C ATOM 1777 CG1 VAL A 117 -0.946 -8.277 6.301 1.00 0.00 C ATOM 1778 CG2 VAL A 117 -2.233 -8.760 8.386 1.00 0.00 C ATOM 0 H VAL A 117 -2.149 -6.123 9.126 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.340 -6.049 6.196 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.072 -8.530 6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.727 -9.343 6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.006 -7.861 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.153 -7.774 6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.986 -9.814 8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.477 -8.284 9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.208 -8.673 8.866 1.00 0.00 H new ATOM 1788 N LEU A 118 -4.771 -5.344 6.716 1.00 0.00 N ATOM 1789 CA LEU A 118 -6.220 -5.218 6.832 1.00 0.00 C ATOM 1790 C LEU A 118 -6.864 -5.550 5.488 1.00 0.00 C ATOM 1791 O LEU A 118 -6.641 -4.851 4.496 1.00 0.00 O ATOM 1792 CB LEU A 118 -6.628 -3.816 7.331 1.00 0.00 C ATOM 1793 CG LEU A 118 -6.446 -3.505 8.844 1.00 0.00 C ATOM 1794 CD1 LEU A 118 -7.168 -4.517 9.733 1.00 0.00 C ATOM 1795 CD2 LEU A 118 -4.969 -3.418 9.223 1.00 0.00 C ATOM 0 H LEU A 118 -4.309 -4.613 6.176 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.580 -5.927 7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.056 -3.080 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.678 -3.664 7.081 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.903 -2.531 9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.012 -4.258 10.780 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.235 -4.501 9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.773 -5.515 9.543 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -4.879 -3.199 10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.481 -4.368 9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.492 -2.624 8.648 1.00 0.00 H new ATOM 1807 N ALA A 119 -7.642 -6.651 5.464 1.00 0.00 N ATOM 1808 CA ALA A 119 -8.318 -7.147 4.245 1.00 0.00 C ATOM 1809 C ALA A 119 -9.177 -6.080 3.565 1.00 0.00 C ATOM 1810 O ALA A 119 -10.218 -5.671 4.094 1.00 0.00 O ATOM 1811 CB ALA A 119 -9.154 -8.376 4.580 1.00 0.00 C ATOM 0 H ALA A 119 -7.820 -7.223 6.290 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.540 -7.417 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.649 -8.736 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.507 -9.159 4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.904 -8.113 5.326 1.00 0.00 H new ATOM 1817 N GLY A 120 -8.714 -5.622 2.389 1.00 0.00 N ATOM 1818 CA GLY A 120 -9.425 -4.600 1.647 1.00 0.00 C ATOM 1819 C GLY A 120 -8.997 -3.205 2.062 1.00 0.00 C ATOM 1820 O GLY A 120 -9.377 -2.212 1.441 1.00 0.00 O ATOM 0 H GLY A 120 -7.856 -5.949 1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -9.245 -4.733 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.497 -4.714 1.806 1.00 0.00 H new ATOM 1824 N SER A 121 -8.211 -3.156 3.133 1.00 0.00 N ATOM 1825 CA SER A 121 -7.676 -1.929 3.666 1.00 0.00 C ATOM 1826 C SER A 121 -6.150 -1.962 3.546 1.00 0.00 C ATOM 1827 O SER A 121 -5.597 -2.836 2.868 1.00 0.00 O ATOM 1828 CB SER A 121 -8.165 -1.663 5.100 1.00 0.00 C ATOM 1829 OG SER A 121 -7.973 -0.301 5.436 1.00 0.00 O ATOM 0 H SER A 121 -7.930 -3.986 3.656 1.00 0.00 H new ATOM 0 HA SER A 121 -8.046 -1.086 3.083 1.00 0.00 H new ATOM 0 HB2 SER A 121 -9.220 -1.921 5.186 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.623 -2.298 5.801 1.00 0.00 H new ATOM 0 HG SER A 121 -7.674 0.192 4.644 1.00 0.00 H new ATOM 1835 N LYS A 122 -5.476 -1.019 4.197 1.00 0.00 N ATOM 1836 CA LYS A 122 -4.028 -0.866 4.098 1.00 0.00 C ATOM 1837 C LYS A 122 -3.250 -2.038 4.684 1.00 0.00 C ATOM 1838 O LYS A 122 -3.699 -2.723 5.617 1.00 0.00 O ATOM 1839 CB LYS A 122 -3.603 0.449 4.755 1.00 0.00 C ATOM 1840 CG LYS A 122 -4.175 1.680 4.046 1.00 0.00 C ATOM 1841 CD LYS A 122 -3.160 2.367 3.127 1.00 0.00 C ATOM 1842 CE LYS A 122 -3.230 1.842 1.697 1.00 0.00 C ATOM 1843 NZ LYS A 122 -2.310 2.582 0.789 1.00 0.00 N ATOM 0 H LYS A 122 -5.921 -0.336 4.811 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.782 -0.848 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.928 0.451 5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.515 0.512 4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.045 1.383 3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.522 2.394 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.342 3.442 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -2.155 2.214 3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.976 0.782 1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.252 1.929 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.387 2.195 -0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.568 3.589 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.332 2.479 1.126 1.00 0.00 H new ATOM 1857 N MET A 123 -2.090 -2.267 4.069 1.00 0.00 N ATOM 1858 CA MET A 123 -1.167 -3.322 4.458 1.00 0.00 C ATOM 1859 C MET A 123 0.264 -2.862 4.223 1.00 0.00 C ATOM 1860 O MET A 123 0.633 -2.463 3.114 1.00 0.00 O ATOM 1861 CB MET A 123 -1.471 -4.626 3.690 1.00 0.00 C ATOM 1862 CG MET A 123 -0.459 -5.759 3.889 1.00 0.00 C ATOM 1863 SD MET A 123 0.256 -6.355 2.340 1.00 0.00 S ATOM 1864 CE MET A 123 1.560 -5.160 2.061 1.00 0.00 C ATOM 0 H MET A 123 -1.764 -1.715 3.276 1.00 0.00 H new ATOM 0 HA MET A 123 -1.293 -3.533 5.520 1.00 0.00 H new ATOM 0 HB2 MET A 123 -2.455 -4.984 3.992 1.00 0.00 H new ATOM 0 HB3 MET A 123 -1.528 -4.396 2.626 1.00 0.00 H new ATOM 0 HG2 MET A 123 0.342 -5.412 4.541 1.00 0.00 H new ATOM 0 HG3 MET A 123 -0.948 -6.589 4.399 1.00 0.00 H new ATOM 0 HE1 MET A 123 2.370 -5.629 1.503 1.00 0.00 H new ATOM 0 HE2 MET A 123 1.167 -4.319 1.491 1.00 0.00 H new ATOM 0 HE3 MET A 123 1.938 -4.804 3.019 1.00 0.00 H new ATOM 1874 N THR A 124 1.044 -2.911 5.291 1.00 0.00 N ATOM 1875 CA THR A 124 2.442 -2.526 5.263 1.00 0.00 C ATOM 1876 C THR A 124 3.295 -3.706 5.686 1.00 0.00 C ATOM 1877 O THR A 124 2.960 -4.392 6.656 1.00 0.00 O ATOM 1878 CB THR A 124 2.674 -1.330 6.193 1.00 0.00 C ATOM 1879 OG1 THR A 124 1.917 -1.503 7.394 1.00 0.00 O ATOM 1880 CG2 THR A 124 2.255 -0.028 5.523 1.00 0.00 C ATOM 0 H THR A 124 0.720 -3.222 6.207 1.00 0.00 H new ATOM 0 HA THR A 124 2.721 -2.232 4.251 1.00 0.00 H new ATOM 0 HB THR A 124 3.738 -1.278 6.423 1.00 0.00 H new ATOM 0 HG1 THR A 124 1.533 -0.643 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.430 0.805 6.204 1.00 0.00 H new ATOM 0 HG22 THR A 124 2.839 0.118 4.614 1.00 0.00 H new ATOM 0 HG23 THR A 124 1.196 -0.073 5.270 1.00 0.00 H new ATOM 1888 N VAL A 125 4.367 -3.971 4.928 1.00 0.00 N ATOM 1889 CA VAL A 125 5.249 -5.103 5.214 1.00 0.00 C ATOM 1890 C VAL A 125 6.739 -4.728 5.203 1.00 0.00 C ATOM 1891 O VAL A 125 7.147 -3.759 4.557 1.00 0.00 O ATOM 1892 CB VAL A 125 4.938 -6.263 4.233 1.00 0.00 C ATOM 1893 CG1 VAL A 125 5.478 -6.016 2.821 1.00 0.00 C ATOM 1894 CG2 VAL A 125 5.411 -7.609 4.778 1.00 0.00 C ATOM 0 H VAL A 125 4.641 -3.418 4.116 1.00 0.00 H new ATOM 0 HA VAL A 125 5.046 -5.432 6.233 1.00 0.00 H new ATOM 0 HB VAL A 125 3.852 -6.298 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.228 -6.863 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 125 5.030 -5.110 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 125 6.561 -5.899 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 125 5.174 -8.395 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.488 -7.578 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 125 4.908 -7.816 5.723 1.00 0.00 H new ATOM 1904 N ALA A 126 7.537 -5.516 5.925 1.00 0.00 N ATOM 1905 CA ALA A 126 8.975 -5.309 5.968 1.00 0.00 C ATOM 1906 C ALA A 126 9.686 -6.549 5.441 1.00 0.00 C ATOM 1907 O ALA A 126 9.732 -7.589 6.109 1.00 0.00 O ATOM 1908 CB ALA A 126 9.430 -4.962 7.380 1.00 0.00 C ATOM 0 H ALA A 126 7.207 -6.301 6.486 1.00 0.00 H new ATOM 0 HA ALA A 126 9.235 -4.465 5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.510 -4.812 7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.934 -4.048 7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.172 -5.777 8.056 1.00 0.00 H new ATOM 1914 N ARG A 127 10.224 -6.428 4.221 1.00 0.00 N ATOM 1915 CA ARG A 127 10.924 -7.536 3.564 1.00 0.00 C ATOM 1916 C ARG A 127 12.081 -7.059 2.681 1.00 0.00 C ATOM 1917 O ARG A 127 11.945 -6.099 1.906 1.00 0.00 O ATOM 1918 CB ARG A 127 9.939 -8.358 2.716 1.00 0.00 C ATOM 1919 CG ARG A 127 10.272 -9.843 2.645 1.00 0.00 C ATOM 1920 CD ARG A 127 9.267 -10.600 1.793 1.00 0.00 C ATOM 1921 NE ARG A 127 9.585 -12.029 1.707 1.00 0.00 N ATOM 1922 CZ ARG A 127 8.836 -12.943 1.073 1.00 0.00 C ATOM 1923 NH1 ARG A 127 7.708 -12.599 0.454 1.00 0.00 N ATOM 1924 NH2 ARG A 127 9.222 -14.211 1.060 1.00 0.00 N ATOM 0 H ARG A 127 10.187 -5.571 3.669 1.00 0.00 H new ATOM 0 HA ARG A 127 11.346 -8.156 4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 127 8.936 -8.240 3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 127 9.919 -7.952 1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 127 11.272 -9.973 2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 127 10.286 -10.262 3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.269 -10.475 2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 127 9.247 -10.172 0.791 1.00 0.00 H new ATOM 0 HE ARG A 127 10.439 -12.351 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.401 -11.626 0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 127 7.151 -13.308 -0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 127 10.084 -14.487 1.530 1.00 0.00 H new ATOM 0 HH22 ARG A 127 8.657 -14.911 0.580 1.00 0.00 H new ATOM 1938 N VAL A 128 13.223 -7.728 2.843 1.00 0.00 N ATOM 1939 CA VAL A 128 14.416 -7.470 2.037 1.00 0.00 C ATOM 1940 C VAL A 128 14.838 -8.776 1.347 1.00 0.00 C ATOM 1941 O VAL A 128 15.454 -9.647 1.971 1.00 0.00 O ATOM 1942 CB VAL A 128 15.590 -6.822 2.855 1.00 0.00 C ATOM 1943 CG1 VAL A 128 15.775 -7.473 4.221 1.00 0.00 C ATOM 1944 CG2 VAL A 128 16.908 -6.845 2.081 1.00 0.00 C ATOM 0 H VAL A 128 13.347 -8.465 3.538 1.00 0.00 H new ATOM 0 HA VAL A 128 14.166 -6.725 1.282 1.00 0.00 H new ATOM 0 HB VAL A 128 15.303 -5.783 3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 128 16.598 -6.989 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 128 14.860 -7.364 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 128 15.999 -8.532 4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.692 -6.387 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 128 17.179 -7.876 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.794 -6.288 1.151 1.00 0.00 H new ATOM 1954 N VAL A 129 14.490 -8.899 0.062 1.00 0.00 N ATOM 1955 CA VAL A 129 14.809 -10.097 -0.724 1.00 0.00 C ATOM 1956 C VAL A 129 16.166 -9.934 -1.419 1.00 0.00 C ATOM 1957 O VAL A 129 16.247 -9.390 -2.520 1.00 0.00 O ATOM 1958 CB VAL A 129 13.699 -10.428 -1.779 1.00 0.00 C ATOM 1959 CG1 VAL A 129 13.836 -11.858 -2.300 1.00 0.00 C ATOM 1960 CG2 VAL A 129 12.299 -10.219 -1.206 1.00 0.00 C ATOM 0 H VAL A 129 13.985 -8.181 -0.458 1.00 0.00 H new ATOM 0 HA VAL A 129 14.857 -10.934 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 129 13.838 -9.737 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 129 13.051 -12.056 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 129 14.811 -11.981 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 129 13.744 -12.558 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.555 -10.458 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 129 12.158 -10.870 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 129 12.183 -9.180 -0.899 1.00 0.00 H new