USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 732 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 28 SER OG : rot -7:sc= -3.18 USER MOD Set 1.2: A 29 THR OG1 : rot 106:sc= 0.957 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.096 (180deg=0) USER MOD Single : A 2 SER OG : rot -160:sc= 0.0273 USER MOD Single : A 3 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.18) USER MOD Single : A 4 MET CE :methyl 163:sc= -0.0149 (180deg=-0.342) USER MOD Single : A 18 THR OG1 : rot 88:sc= 0.339 USER MOD Single : A 27 THR OG1 : rot -179:sc= -1.75 USER MOD Single : A 31 THR OG1 : rot -97:sc= -0.238 USER MOD Single : A 35 HIS : no HE2:sc= -13.6! C(o=-14!,f=-15!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00758 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 100:sc= -1.3 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -17.6! C(o=-17!,f=-22!) USER MOD Single : A 82 ASN : amide:sc= -7.93! C(o=-7.9!,f=-13!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.410 5.259 20.964 1.00 0.00 N ATOM 2 CA GLY A 1 8.758 6.669 20.923 1.00 0.00 C ATOM 3 C GLY A 1 8.907 7.155 19.480 1.00 0.00 C ATOM 4 O GLY A 1 8.911 6.353 18.548 1.00 0.00 O ATOM 0 H1 GLY A 1 7.481 5.144 21.417 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.372 4.882 19.995 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.127 4.740 21.510 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.989 7.252 21.429 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.690 6.833 21.464 1.00 0.00 H new ATOM 8 N SER A 2 9.027 8.468 19.341 1.00 0.00 N ATOM 9 CA SER A 2 9.176 9.070 18.027 1.00 0.00 C ATOM 10 C SER A 2 9.769 10.475 18.160 1.00 0.00 C ATOM 11 O SER A 2 10.095 10.913 19.262 1.00 0.00 O ATOM 12 CB SER A 2 7.836 9.128 17.292 1.00 0.00 C ATOM 13 OG SER A 2 8.003 9.142 15.877 1.00 0.00 O ATOM 0 H SER A 2 9.024 9.131 20.116 1.00 0.00 H new ATOM 0 HA SER A 2 9.854 8.449 17.441 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.229 8.269 17.577 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.291 10.020 17.602 1.00 0.00 H new ATOM 0 HG SER A 2 7.190 9.491 15.455 1.00 0.00 H new ATOM 19 N HIS A 3 9.891 11.141 17.021 1.00 0.00 N ATOM 20 CA HIS A 3 10.439 12.486 16.996 1.00 0.00 C ATOM 21 C HIS A 3 9.307 13.504 17.144 1.00 0.00 C ATOM 22 O HIS A 3 8.929 13.860 18.259 1.00 0.00 O ATOM 23 CB HIS A 3 11.276 12.709 15.735 1.00 0.00 C ATOM 24 CG HIS A 3 12.757 12.488 15.934 1.00 0.00 C ATOM 25 ND1 HIS A 3 13.627 12.254 14.883 1.00 0.00 N ATOM 26 CD2 HIS A 3 13.511 12.469 17.070 1.00 0.00 C ATOM 27 CE1 HIS A 3 14.847 12.101 15.377 1.00 0.00 C ATOM 28 NE2 HIS A 3 14.773 12.234 16.733 1.00 0.00 N ATOM 0 H HIS A 3 9.620 10.774 16.109 1.00 0.00 H new ATOM 0 HA HIS A 3 11.116 12.622 17.839 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.921 12.039 14.952 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.115 13.727 15.380 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.143 12.620 18.074 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.743 11.905 14.806 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.558 12.164 17.381 1.00 0.00 H new ATOM 36 N MET A 4 8.797 13.944 16.002 1.00 0.00 N ATOM 37 CA MET A 4 7.716 14.914 15.990 1.00 0.00 C ATOM 38 C MET A 4 6.362 14.228 16.180 1.00 0.00 C ATOM 39 O MET A 4 5.807 13.669 15.236 1.00 0.00 O ATOM 40 CB MET A 4 7.723 15.671 14.660 1.00 0.00 C ATOM 41 CG MET A 4 6.710 16.817 14.676 1.00 0.00 C ATOM 42 SD MET A 4 7.035 17.900 16.058 1.00 0.00 S ATOM 43 CE MET A 4 8.530 18.691 15.486 1.00 0.00 C ATOM 0 H MET A 4 9.113 13.646 15.079 1.00 0.00 H new ATOM 0 HA MET A 4 7.869 15.610 16.815 1.00 0.00 H new ATOM 0 HB2 MET A 4 8.721 16.065 14.467 1.00 0.00 H new ATOM 0 HB3 MET A 4 7.489 14.985 13.846 1.00 0.00 H new ATOM 0 HG2 MET A 4 6.768 17.377 13.743 1.00 0.00 H new ATOM 0 HG3 MET A 4 5.698 16.418 14.746 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.708 19.596 16.067 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.372 18.010 15.609 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.424 18.951 14.433 1.00 0.00 H new ATOM 53 N LEU A 5 5.868 14.294 17.408 1.00 0.00 N ATOM 54 CA LEU A 5 4.590 13.686 17.735 1.00 0.00 C ATOM 55 C LEU A 5 3.476 14.718 17.547 1.00 0.00 C ATOM 56 O LEU A 5 2.370 14.375 17.133 1.00 0.00 O ATOM 57 CB LEU A 5 4.630 13.072 19.135 1.00 0.00 C ATOM 58 CG LEU A 5 5.284 11.693 19.245 1.00 0.00 C ATOM 59 CD1 LEU A 5 6.329 11.669 20.362 1.00 0.00 C ATOM 60 CD2 LEU A 5 4.230 10.599 19.424 1.00 0.00 C ATOM 0 H LEU A 5 6.331 14.760 18.189 1.00 0.00 H new ATOM 0 HA LEU A 5 4.377 12.860 17.057 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.161 13.758 19.796 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.608 12.998 19.507 1.00 0.00 H new ATOM 0 HG LEU A 5 5.806 11.488 18.311 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.778 10.678 20.419 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.103 12.407 20.152 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.851 11.905 21.313 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.722 9.629 19.500 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.660 10.789 20.333 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.557 10.599 18.567 1.00 0.00 H new ATOM 72 N ARG A 6 3.807 15.962 17.862 1.00 0.00 N ATOM 73 CA ARG A 6 2.849 17.047 17.734 1.00 0.00 C ATOM 74 C ARG A 6 2.538 17.309 16.259 1.00 0.00 C ATOM 75 O ARG A 6 1.376 17.315 15.857 1.00 0.00 O ATOM 76 CB ARG A 6 3.382 18.331 18.372 1.00 0.00 C ATOM 77 CG ARG A 6 2.321 18.985 19.258 1.00 0.00 C ATOM 78 CD ARG A 6 2.960 19.648 20.480 1.00 0.00 C ATOM 79 NE ARG A 6 3.541 20.955 20.100 1.00 0.00 N ATOM 80 CZ ARG A 6 2.850 22.115 20.083 1.00 0.00 C ATOM 81 NH1 ARG A 6 1.544 22.139 20.424 1.00 0.00 N ATOM 82 NH2 ARG A 6 3.470 23.224 19.727 1.00 0.00 N ATOM 0 H ARG A 6 4.725 16.243 18.206 1.00 0.00 H new ATOM 0 HA ARG A 6 1.938 16.748 18.253 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.268 18.106 18.966 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.690 19.028 17.592 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.770 19.729 18.683 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.600 18.235 19.582 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.213 19.786 21.262 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.735 19.002 20.891 1.00 0.00 H new ATOM 0 HE ARG A 6 4.525 20.981 19.834 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.072 21.277 20.697 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.029 23.019 20.409 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.457 23.197 19.470 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.963 24.109 19.709 1.00 0.00 H new ATOM 95 N ASP A 7 3.598 17.518 15.492 1.00 0.00 N ATOM 96 CA ASP A 7 3.453 17.780 14.070 1.00 0.00 C ATOM 97 C ASP A 7 3.485 16.455 13.306 1.00 0.00 C ATOM 98 O ASP A 7 3.932 16.405 12.161 1.00 0.00 O ATOM 99 CB ASP A 7 4.598 18.653 13.551 1.00 0.00 C ATOM 100 CG ASP A 7 4.167 19.983 12.930 1.00 0.00 C ATOM 101 OD1 ASP A 7 3.781 20.924 13.639 1.00 0.00 O ATOM 102 OD2 ASP A 7 4.240 20.032 11.643 1.00 0.00 O ATOM 0 H ASP A 7 4.561 17.511 15.828 1.00 0.00 H new ATOM 0 HA ASP A 7 2.506 18.299 13.917 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.281 18.859 14.376 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.158 18.087 12.807 1.00 0.00 H new ATOM 108 N ARG A 8 3.005 15.414 13.970 1.00 0.00 N ATOM 109 CA ARG A 8 2.973 14.092 13.368 1.00 0.00 C ATOM 110 C ARG A 8 1.650 13.877 12.631 1.00 0.00 C ATOM 111 O ARG A 8 1.605 13.180 11.618 1.00 0.00 O ATOM 112 CB ARG A 8 3.143 13.000 14.426 1.00 0.00 C ATOM 113 CG ARG A 8 4.026 11.865 13.905 1.00 0.00 C ATOM 114 CD ARG A 8 4.020 10.679 14.872 1.00 0.00 C ATOM 115 NE ARG A 8 4.719 9.525 14.262 1.00 0.00 N ATOM 116 CZ ARG A 8 4.785 8.298 14.821 1.00 0.00 C ATOM 117 NH1 ARG A 8 4.194 8.054 16.010 1.00 0.00 N ATOM 118 NH2 ARG A 8 5.437 7.341 14.188 1.00 0.00 N ATOM 0 H ARG A 8 2.635 15.459 14.919 1.00 0.00 H new ATOM 0 HA ARG A 8 3.801 14.029 12.662 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.586 13.426 15.326 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.166 12.606 14.707 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.671 11.543 12.926 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.046 12.225 13.771 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.508 10.958 15.806 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.994 10.405 15.118 1.00 0.00 H new ATOM 0 HE ARG A 8 5.180 9.666 13.363 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.693 8.800 16.493 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.249 7.124 16.425 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.881 7.534 13.290 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.497 6.408 14.596 1.00 0.00 H new ATOM 131 N LEU A 9 0.604 14.488 13.168 1.00 0.00 N ATOM 132 CA LEU A 9 -0.717 14.372 12.573 1.00 0.00 C ATOM 133 C LEU A 9 -0.904 15.480 11.535 1.00 0.00 C ATOM 134 O LEU A 9 -1.310 15.214 10.404 1.00 0.00 O ATOM 135 CB LEU A 9 -1.794 14.360 13.660 1.00 0.00 C ATOM 136 CG LEU A 9 -1.824 13.125 14.562 1.00 0.00 C ATOM 137 CD1 LEU A 9 -2.644 12.001 13.926 1.00 0.00 C ATOM 138 CD2 LEU A 9 -0.406 12.670 14.916 1.00 0.00 C ATOM 0 H LEU A 9 0.644 15.065 14.008 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.816 13.422 12.047 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.658 15.241 14.288 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.768 14.458 13.180 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.318 13.396 15.495 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.649 11.135 14.588 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.667 12.342 13.767 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.201 11.724 12.969 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.456 11.791 15.558 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.135 12.423 14.003 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.114 13.472 15.440 1.00 0.00 H new ATOM 150 N ALA A 10 -0.598 16.698 11.955 1.00 0.00 N ATOM 151 CA ALA A 10 -0.727 17.848 11.075 1.00 0.00 C ATOM 152 C ALA A 10 0.556 18.003 10.255 1.00 0.00 C ATOM 153 O ALA A 10 0.812 19.066 9.693 1.00 0.00 O ATOM 154 CB ALA A 10 -1.042 19.093 11.905 1.00 0.00 C ATOM 0 H ALA A 10 -0.261 16.914 12.893 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.551 17.706 10.375 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.139 19.955 11.245 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.977 18.943 12.446 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.236 19.269 12.617 1.00 0.00 H new ATOM 160 N GLY A 11 1.327 16.926 10.212 1.00 0.00 N ATOM 161 CA GLY A 11 2.576 16.929 9.470 1.00 0.00 C ATOM 162 C GLY A 11 2.791 15.595 8.753 1.00 0.00 C ATOM 163 O GLY A 11 3.925 15.219 8.461 1.00 0.00 O ATOM 0 H GLY A 11 1.111 16.045 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.569 17.740 8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.407 17.118 10.150 1.00 0.00 H new ATOM 167 N LEU A 12 1.684 14.916 8.489 1.00 0.00 N ATOM 168 CA LEU A 12 1.737 13.632 7.812 1.00 0.00 C ATOM 169 C LEU A 12 1.440 13.833 6.324 1.00 0.00 C ATOM 170 O LEU A 12 0.308 14.134 5.949 1.00 0.00 O ATOM 171 CB LEU A 12 0.807 12.627 8.495 1.00 0.00 C ATOM 172 CG LEU A 12 -0.674 12.725 8.125 1.00 0.00 C ATOM 173 CD1 LEU A 12 -0.957 12.013 6.801 1.00 0.00 C ATOM 174 CD2 LEU A 12 -1.558 12.201 9.258 1.00 0.00 C ATOM 0 H LEU A 12 0.745 15.231 8.732 1.00 0.00 H new ATOM 0 HA LEU A 12 2.737 13.204 7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.154 11.621 8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.900 12.751 9.574 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.922 13.777 7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.017 12.098 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.368 12.473 6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.688 10.960 6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.606 12.282 8.969 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.316 11.157 9.455 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.383 12.790 10.158 1.00 0.00 H new ATOM 186 N PRO A 13 2.504 13.652 5.496 1.00 0.00 N ATOM 187 CA PRO A 13 2.368 13.810 4.058 1.00 0.00 C ATOM 188 C PRO A 13 1.641 12.613 3.441 1.00 0.00 C ATOM 189 O PRO A 13 1.039 11.813 4.156 1.00 0.00 O ATOM 190 CB PRO A 13 3.789 13.971 3.544 1.00 0.00 C ATOM 191 CG PRO A 13 4.693 13.435 4.642 1.00 0.00 C ATOM 192 CD PRO A 13 3.859 13.295 5.905 1.00 0.00 C ATOM 0 HA PRO A 13 1.760 14.672 3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.933 13.419 2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.011 15.017 3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.114 12.472 4.354 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.531 14.111 4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.900 12.278 6.296 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.221 13.954 6.694 1.00 0.00 H new ATOM 200 N ARG A 14 1.721 12.529 2.122 1.00 0.00 N ATOM 201 CA ARG A 14 1.078 11.444 1.401 1.00 0.00 C ATOM 202 C ARG A 14 1.656 10.098 1.842 1.00 0.00 C ATOM 203 O ARG A 14 0.950 9.091 1.862 1.00 0.00 O ATOM 204 CB ARG A 14 1.263 11.600 -0.110 1.00 0.00 C ATOM 205 CG ARG A 14 -0.008 11.201 -0.862 1.00 0.00 C ATOM 206 CD ARG A 14 -0.244 12.119 -2.064 1.00 0.00 C ATOM 207 NE ARG A 14 0.876 11.996 -3.022 1.00 0.00 N ATOM 208 CZ ARG A 14 0.874 12.532 -4.262 1.00 0.00 C ATOM 209 NH1 ARG A 14 -0.192 13.232 -4.704 1.00 0.00 N ATOM 210 NH2 ARG A 14 1.930 12.360 -5.035 1.00 0.00 N ATOM 0 H ARG A 14 2.221 13.195 1.533 1.00 0.00 H new ATOM 0 HA ARG A 14 0.013 11.479 1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.519 12.633 -0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.096 10.982 -0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.074 10.168 -1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.864 11.250 -0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.182 11.857 -2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.336 13.153 -1.730 1.00 0.00 H new ATOM 0 HE ARG A 14 1.701 11.474 -2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.004 13.360 -4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.185 13.633 -5.642 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.731 11.829 -4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.945 12.758 -5.974 1.00 0.00 H new ATOM 223 N ALA A 15 2.936 10.123 2.185 1.00 0.00 N ATOM 224 CA ALA A 15 3.617 8.918 2.624 1.00 0.00 C ATOM 225 C ALA A 15 2.934 8.381 3.883 1.00 0.00 C ATOM 226 O ALA A 15 2.249 7.361 3.835 1.00 0.00 O ATOM 227 CB ALA A 15 5.100 9.222 2.850 1.00 0.00 C ATOM 0 H ALA A 15 3.519 10.960 2.167 1.00 0.00 H new ATOM 0 HA ALA A 15 3.556 8.143 1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.611 8.317 3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.546 9.572 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.201 9.994 3.613 1.00 0.00 H new ATOM 233 N GLU A 16 3.144 9.093 4.981 1.00 0.00 N ATOM 234 CA GLU A 16 2.556 8.701 6.251 1.00 0.00 C ATOM 235 C GLU A 16 1.116 8.228 6.046 1.00 0.00 C ATOM 236 O GLU A 16 0.712 7.201 6.590 1.00 0.00 O ATOM 237 CB GLU A 16 2.618 9.848 7.261 1.00 0.00 C ATOM 238 CG GLU A 16 3.978 9.890 7.960 1.00 0.00 C ATOM 239 CD GLU A 16 4.014 8.928 9.150 1.00 0.00 C ATOM 240 OE1 GLU A 16 3.763 9.343 10.291 1.00 0.00 O ATOM 241 OE2 GLU A 16 4.314 7.708 8.855 1.00 0.00 O ATOM 0 H GLU A 16 3.713 9.939 5.017 1.00 0.00 H new ATOM 0 HA GLU A 16 3.135 7.872 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.437 10.795 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.828 9.728 8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.763 9.627 7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.184 10.904 8.302 1.00 0.00 H new ATOM 249 N ARG A 17 0.380 9.000 5.260 1.00 0.00 N ATOM 250 CA ARG A 17 -1.007 8.672 4.976 1.00 0.00 C ATOM 251 C ARG A 17 -1.099 7.322 4.263 1.00 0.00 C ATOM 252 O ARG A 17 -1.787 6.415 4.729 1.00 0.00 O ATOM 253 CB ARG A 17 -1.660 9.747 4.104 1.00 0.00 C ATOM 254 CG ARG A 17 -3.093 9.359 3.735 1.00 0.00 C ATOM 255 CD ARG A 17 -4.031 9.524 4.932 1.00 0.00 C ATOM 256 NE ARG A 17 -4.356 10.954 5.127 1.00 0.00 N ATOM 257 CZ ARG A 17 -5.382 11.402 5.883 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.192 10.531 6.522 1.00 0.00 N ATOM 259 NH2 ARG A 17 -5.580 12.702 5.987 1.00 0.00 N ATOM 0 H ARG A 17 0.718 9.851 4.811 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.536 8.621 5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.663 10.699 4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.073 9.890 3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.440 9.979 2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.116 8.325 3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.946 8.954 4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.561 9.124 5.830 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.768 11.645 4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.031 9.527 6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.965 10.877 7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.963 13.352 5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.350 13.057 6.554 1.00 0.00 H new ATOM 272 N THR A 18 -0.395 7.231 3.144 1.00 0.00 N ATOM 273 CA THR A 18 -0.389 6.006 2.361 1.00 0.00 C ATOM 274 C THR A 18 0.114 4.835 3.208 1.00 0.00 C ATOM 275 O THR A 18 -0.500 3.770 3.227 1.00 0.00 O ATOM 276 CB THR A 18 0.450 6.252 1.106 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.376 7.082 0.293 1.00 0.00 O ATOM 278 CG2 THR A 18 0.641 4.984 0.271 1.00 0.00 C ATOM 0 H THR A 18 0.175 7.985 2.761 1.00 0.00 H new ATOM 0 HA THR A 18 -1.396 5.731 2.048 1.00 0.00 H new ATOM 0 HB THR A 18 1.424 6.648 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.227 8.022 0.528 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.243 5.214 -0.608 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.147 4.227 0.870 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.332 4.606 -0.045 1.00 0.00 H new ATOM 286 N ALA A 19 1.225 5.073 3.889 1.00 0.00 N ATOM 287 CA ALA A 19 1.817 4.051 4.735 1.00 0.00 C ATOM 288 C ALA A 19 0.892 3.781 5.924 1.00 0.00 C ATOM 289 O ALA A 19 0.963 2.719 6.541 1.00 0.00 O ATOM 290 CB ALA A 19 3.214 4.496 5.173 1.00 0.00 C ATOM 0 H ALA A 19 1.731 5.959 3.872 1.00 0.00 H new ATOM 0 HA ALA A 19 1.930 3.116 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.658 3.729 5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.840 4.646 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.140 5.430 5.730 1.00 0.00 H new ATOM 296 N GLU A 20 0.047 4.760 6.209 1.00 0.00 N ATOM 297 CA GLU A 20 -0.891 4.642 7.313 1.00 0.00 C ATOM 298 C GLU A 20 -2.081 3.771 6.907 1.00 0.00 C ATOM 299 O GLU A 20 -2.525 2.921 7.678 1.00 0.00 O ATOM 300 CB GLU A 20 -1.356 6.020 7.787 1.00 0.00 C ATOM 301 CG GLU A 20 -2.548 5.899 8.739 1.00 0.00 C ATOM 302 CD GLU A 20 -2.286 6.651 10.045 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.146 6.668 10.533 1.00 0.00 O ATOM 304 OE2 GLU A 20 -3.317 7.234 10.555 1.00 0.00 O ATOM 0 H GLU A 20 -0.008 5.639 5.695 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.381 4.160 8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.535 6.532 8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.633 6.630 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.443 6.297 8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.742 4.848 8.953 1.00 0.00 H new ATOM 312 N LEU A 21 -2.565 4.012 5.697 1.00 0.00 N ATOM 313 CA LEU A 21 -3.695 3.259 5.179 1.00 0.00 C ATOM 314 C LEU A 21 -3.350 1.769 5.171 1.00 0.00 C ATOM 315 O LEU A 21 -4.148 0.941 5.606 1.00 0.00 O ATOM 316 CB LEU A 21 -4.117 3.800 3.812 1.00 0.00 C ATOM 317 CG LEU A 21 -5.480 4.494 3.757 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.595 3.547 4.204 1.00 0.00 C ATOM 319 CD2 LEU A 21 -5.469 5.790 4.569 1.00 0.00 C ATOM 0 H LEU A 21 -2.195 4.718 5.060 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.563 3.381 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.358 4.505 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.124 2.973 3.102 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.684 4.765 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.553 4.065 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.619 2.677 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.409 3.223 5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.450 6.263 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.233 5.566 5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.716 6.467 4.164 1.00 0.00 H new ATOM 331 N VAL A 22 -2.158 1.473 4.672 1.00 0.00 N ATOM 332 CA VAL A 22 -1.698 0.097 4.602 1.00 0.00 C ATOM 333 C VAL A 22 -1.680 -0.503 6.009 1.00 0.00 C ATOM 334 O VAL A 22 -2.419 -1.444 6.296 1.00 0.00 O ATOM 335 CB VAL A 22 -0.335 0.036 3.909 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.286 -1.356 4.042 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.448 0.448 2.440 1.00 0.00 C ATOM 0 H VAL A 22 -1.498 2.163 4.313 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.381 -0.504 4.001 1.00 0.00 H new ATOM 0 HB VAL A 22 0.326 0.746 4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.254 -1.372 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.420 -1.596 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.372 -2.094 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.535 0.396 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.132 -0.226 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.827 1.468 2.376 1.00 0.00 H new ATOM 347 N ARG A 23 -0.829 0.066 6.850 1.00 0.00 N ATOM 348 CA ARG A 23 -0.705 -0.401 8.220 1.00 0.00 C ATOM 349 C ARG A 23 -2.087 -0.689 8.810 1.00 0.00 C ATOM 350 O ARG A 23 -2.229 -1.545 9.681 1.00 0.00 O ATOM 351 CB ARG A 23 0.008 0.634 9.093 1.00 0.00 C ATOM 352 CG ARG A 23 0.365 0.046 10.460 1.00 0.00 C ATOM 353 CD ARG A 23 1.624 0.704 11.028 1.00 0.00 C ATOM 354 NE ARG A 23 2.370 -0.266 11.861 1.00 0.00 N ATOM 355 CZ ARG A 23 2.027 -0.600 13.123 1.00 0.00 C ATOM 356 NH1 ARG A 23 0.944 -0.045 13.709 1.00 0.00 N ATOM 357 NH2 ARG A 23 2.765 -1.478 13.776 1.00 0.00 N ATOM 0 H ARG A 23 -0.218 0.847 6.609 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.114 -1.317 8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.914 0.975 8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.632 1.507 9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.467 0.189 11.150 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.522 -1.029 10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.257 1.060 10.215 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.352 1.575 11.625 1.00 0.00 H new ATOM 0 HE ARG A 23 3.194 -0.710 11.456 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.378 0.632 13.197 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.692 -0.303 14.663 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.581 -1.893 13.326 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.519 -1.741 14.730 1.00 0.00 H new ATOM 370 N LEU A 24 -3.073 0.043 8.310 1.00 0.00 N ATOM 371 CA LEU A 24 -4.439 -0.123 8.776 1.00 0.00 C ATOM 372 C LEU A 24 -5.117 -1.232 7.970 1.00 0.00 C ATOM 373 O LEU A 24 -5.825 -2.068 8.530 1.00 0.00 O ATOM 374 CB LEU A 24 -5.185 1.212 8.734 1.00 0.00 C ATOM 375 CG LEU A 24 -6.111 1.500 9.917 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.475 2.985 9.981 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.354 0.608 9.871 1.00 0.00 C ATOM 0 H LEU A 24 -2.952 0.752 7.587 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.450 -0.435 9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.450 2.014 8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.776 1.247 7.819 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.575 1.260 10.835 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.134 3.162 10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.567 3.577 10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.983 3.275 9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.995 0.833 10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.901 0.793 8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.052 -0.439 9.911 1.00 0.00 H new ATOM 389 N VAL A 25 -4.877 -1.204 6.667 1.00 0.00 N ATOM 390 CA VAL A 25 -5.456 -2.196 5.778 1.00 0.00 C ATOM 391 C VAL A 25 -5.108 -3.596 6.288 1.00 0.00 C ATOM 392 O VAL A 25 -5.951 -4.492 6.276 1.00 0.00 O ATOM 393 CB VAL A 25 -4.989 -1.949 4.342 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.520 -3.030 3.399 1.00 0.00 C ATOM 395 CG2 VAL A 25 -5.398 -0.555 3.865 1.00 0.00 C ATOM 0 H VAL A 25 -4.289 -0.510 6.206 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.543 -2.114 5.770 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.900 -2.001 4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.173 -2.831 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.156 -4.005 3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.610 -3.026 3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.054 -0.405 2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.483 -0.462 3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.949 0.198 4.513 1.00 0.00 H new ATOM 405 N ARG A 26 -3.865 -3.741 6.723 1.00 0.00 N ATOM 406 CA ARG A 26 -3.395 -5.016 7.236 1.00 0.00 C ATOM 407 C ARG A 26 -4.187 -5.411 8.484 1.00 0.00 C ATOM 408 O ARG A 26 -5.009 -6.324 8.439 1.00 0.00 O ATOM 409 CB ARG A 26 -1.906 -4.956 7.583 1.00 0.00 C ATOM 410 CG ARG A 26 -1.117 -6.004 6.796 1.00 0.00 C ATOM 411 CD ARG A 26 0.279 -5.486 6.440 1.00 0.00 C ATOM 412 NE ARG A 26 1.246 -5.878 7.489 1.00 0.00 N ATOM 413 CZ ARG A 26 2.579 -5.685 7.400 1.00 0.00 C ATOM 414 NH1 ARG A 26 3.115 -5.102 6.306 1.00 0.00 N ATOM 415 NH2 ARG A 26 3.351 -6.074 8.397 1.00 0.00 N ATOM 0 H ARG A 26 -3.169 -2.996 6.731 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.544 -5.762 6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.517 -3.962 7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.771 -5.121 8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.031 -6.917 7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.656 -6.262 5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.591 -5.890 5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.259 -4.401 6.339 1.00 0.00 H new ATOM 0 HE ARG A 26 0.883 -6.322 8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.512 -4.804 5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.123 -4.960 6.246 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.939 -6.514 9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.360 -5.935 8.345 1.00 0.00 H new ATOM 428 N THR A 27 -3.911 -4.702 9.570 1.00 0.00 N ATOM 429 CA THR A 27 -4.587 -4.967 10.828 1.00 0.00 C ATOM 430 C THR A 27 -6.100 -5.041 10.615 1.00 0.00 C ATOM 431 O THR A 27 -6.757 -5.954 11.114 1.00 0.00 O ATOM 432 CB THR A 27 -4.166 -3.887 11.827 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.742 -3.935 11.810 1.00 0.00 O ATOM 434 CG2 THR A 27 -4.534 -4.247 13.268 1.00 0.00 C ATOM 0 H THR A 27 -3.228 -3.945 9.604 1.00 0.00 H new ATOM 0 HA THR A 27 -4.300 -5.937 11.235 1.00 0.00 H new ATOM 0 HB THR A 27 -4.636 -2.941 11.558 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.385 -3.276 12.441 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.213 -3.448 13.936 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.614 -4.374 13.347 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.038 -5.176 13.549 1.00 0.00 H new ATOM 442 N SER A 28 -6.609 -4.069 9.873 1.00 0.00 N ATOM 443 CA SER A 28 -8.033 -4.013 9.588 1.00 0.00 C ATOM 444 C SER A 28 -8.526 -5.381 9.112 1.00 0.00 C ATOM 445 O SER A 28 -9.592 -5.838 9.522 1.00 0.00 O ATOM 446 CB SER A 28 -8.343 -2.942 8.539 1.00 0.00 C ATOM 447 OG SER A 28 -7.686 -3.202 7.302 1.00 0.00 O ATOM 0 H SER A 28 -6.061 -3.314 9.460 1.00 0.00 H new ATOM 0 HA SER A 28 -8.555 -3.746 10.507 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.420 -2.896 8.375 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.035 -1.966 8.915 1.00 0.00 H new ATOM 0 HG SER A 28 -7.074 -3.960 7.410 1.00 0.00 H new ATOM 453 N THR A 29 -7.726 -5.996 8.252 1.00 0.00 N ATOM 454 CA THR A 29 -8.068 -7.302 7.716 1.00 0.00 C ATOM 455 C THR A 29 -7.908 -8.379 8.791 1.00 0.00 C ATOM 456 O THR A 29 -8.885 -9.003 9.200 1.00 0.00 O ATOM 457 CB THR A 29 -7.202 -7.546 6.478 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.339 -6.349 5.718 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.776 -8.634 5.567 1.00 0.00 C ATOM 0 H THR A 29 -6.843 -5.614 7.914 1.00 0.00 H new ATOM 0 HA THR A 29 -9.114 -7.343 7.413 1.00 0.00 H new ATOM 0 HB THR A 29 -6.195 -7.826 6.788 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.514 -5.824 5.784 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.124 -8.768 4.704 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.845 -9.572 6.119 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.769 -8.339 5.229 1.00 0.00 H new ATOM 467 N ALA A 30 -6.667 -8.563 9.219 1.00 0.00 N ATOM 468 CA ALA A 30 -6.366 -9.553 10.239 1.00 0.00 C ATOM 469 C ALA A 30 -7.358 -9.406 11.394 1.00 0.00 C ATOM 470 O ALA A 30 -7.712 -10.390 12.042 1.00 0.00 O ATOM 471 CB ALA A 30 -4.914 -9.394 10.692 1.00 0.00 C ATOM 0 H ALA A 30 -5.859 -8.043 8.878 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.473 -10.561 9.839 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.688 -10.137 11.457 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.249 -9.537 9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.768 -8.395 11.102 1.00 0.00 H new ATOM 477 N THR A 31 -7.777 -8.169 11.619 1.00 0.00 N ATOM 478 CA THR A 31 -8.720 -7.880 12.685 1.00 0.00 C ATOM 479 C THR A 31 -10.035 -8.627 12.451 1.00 0.00 C ATOM 480 O THR A 31 -10.686 -9.058 13.402 1.00 0.00 O ATOM 481 CB THR A 31 -8.891 -6.362 12.768 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.666 -5.906 13.335 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.952 -5.947 13.789 1.00 0.00 C ATOM 0 H THR A 31 -7.480 -7.355 11.080 1.00 0.00 H new ATOM 0 HA THR A 31 -8.348 -8.233 13.647 1.00 0.00 H new ATOM 0 HB THR A 31 -9.161 -5.973 11.786 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.778 -5.783 14.301 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.033 -4.860 13.808 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.914 -6.378 13.510 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.666 -6.307 14.777 1.00 0.00 H new ATOM 491 N VAL A 32 -10.386 -8.758 11.180 1.00 0.00 N ATOM 492 CA VAL A 32 -11.611 -9.446 10.809 1.00 0.00 C ATOM 493 C VAL A 32 -11.451 -10.944 11.076 1.00 0.00 C ATOM 494 O VAL A 32 -12.437 -11.652 11.270 1.00 0.00 O ATOM 495 CB VAL A 32 -11.967 -9.132 9.355 1.00 0.00 C ATOM 496 CG1 VAL A 32 -11.135 -9.980 8.391 1.00 0.00 C ATOM 497 CG2 VAL A 32 -13.464 -9.326 9.103 1.00 0.00 C ATOM 0 H VAL A 32 -9.843 -8.399 10.394 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.445 -9.096 11.417 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.729 -8.084 9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.408 -9.737 7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.076 -9.771 8.544 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.327 -11.037 8.577 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.690 -9.096 8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.738 -10.360 9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -14.032 -8.660 9.753 1.00 0.00 H new ATOM 507 N LEU A 33 -10.200 -11.382 11.076 1.00 0.00 N ATOM 508 CA LEU A 33 -9.898 -12.783 11.315 1.00 0.00 C ATOM 509 C LEU A 33 -10.035 -13.082 12.809 1.00 0.00 C ATOM 510 O LEU A 33 -10.456 -14.172 13.192 1.00 0.00 O ATOM 511 CB LEU A 33 -8.526 -13.141 10.740 1.00 0.00 C ATOM 512 CG LEU A 33 -8.460 -13.313 9.221 1.00 0.00 C ATOM 513 CD1 LEU A 33 -9.680 -14.075 8.702 1.00 0.00 C ATOM 514 CD2 LEU A 33 -8.288 -11.962 8.524 1.00 0.00 C ATOM 0 H LEU A 33 -9.384 -10.791 10.914 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.613 -13.421 10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.819 -12.363 11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.189 -14.067 11.206 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.581 -13.913 8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.608 -14.183 7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.716 -15.062 9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.587 -13.524 8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.244 -12.112 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.133 -11.317 8.766 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.365 -11.493 8.863 1.00 0.00 H new ATOM 526 N GLY A 34 -9.672 -12.093 13.614 1.00 0.00 N ATOM 527 CA GLY A 34 -9.750 -12.237 15.058 1.00 0.00 C ATOM 528 C GLY A 34 -8.353 -12.346 15.674 1.00 0.00 C ATOM 529 O GLY A 34 -8.210 -12.376 16.895 1.00 0.00 O ATOM 0 H GLY A 34 -9.323 -11.190 13.293 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.274 -11.382 15.485 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.332 -13.124 15.308 1.00 0.00 H new ATOM 533 N HIS A 35 -7.359 -12.402 14.800 1.00 0.00 N ATOM 534 CA HIS A 35 -5.979 -12.507 15.242 1.00 0.00 C ATOM 535 C HIS A 35 -5.351 -11.113 15.301 1.00 0.00 C ATOM 536 O HIS A 35 -4.314 -10.921 15.934 1.00 0.00 O ATOM 537 CB HIS A 35 -5.195 -13.473 14.352 1.00 0.00 C ATOM 538 CG HIS A 35 -5.357 -13.215 12.873 1.00 0.00 C ATOM 539 ND1 HIS A 35 -5.410 -14.232 11.936 1.00 0.00 N ATOM 540 CD2 HIS A 35 -5.479 -12.046 12.181 1.00 0.00 C ATOM 541 CE1 HIS A 35 -5.556 -13.688 10.737 1.00 0.00 C ATOM 542 NE2 HIS A 35 -5.598 -12.334 10.890 1.00 0.00 N ATOM 0 H HIS A 35 -7.482 -12.377 13.788 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.947 -12.925 16.248 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.137 -13.409 14.608 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.515 -14.492 14.570 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.347 -15.230 12.135 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.479 -11.055 12.610 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.629 -14.223 9.802 1.00 0.00 H new ATOM 550 N ASP A 36 -6.006 -10.175 14.632 1.00 0.00 N ATOM 551 CA ASP A 36 -5.526 -8.804 14.600 1.00 0.00 C ATOM 552 C ASP A 36 -3.999 -8.802 14.702 1.00 0.00 C ATOM 553 O ASP A 36 -3.426 -8.027 15.466 1.00 0.00 O ATOM 554 CB ASP A 36 -6.079 -7.999 15.777 1.00 0.00 C ATOM 555 CG ASP A 36 -5.851 -6.488 15.691 1.00 0.00 C ATOM 556 OD1 ASP A 36 -4.706 -6.014 15.703 1.00 0.00 O ATOM 557 OD2 ASP A 36 -6.925 -5.779 15.608 1.00 0.00 O ATOM 0 H ASP A 36 -6.866 -10.338 14.108 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.859 -8.351 13.666 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.150 -8.186 15.854 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.624 -8.368 16.696 1.00 0.00 H new ATOM 563 N ASP A 37 -3.384 -9.676 13.919 1.00 0.00 N ATOM 564 CA ASP A 37 -1.935 -9.784 13.912 1.00 0.00 C ATOM 565 C ASP A 37 -1.402 -9.343 12.547 1.00 0.00 C ATOM 566 O ASP A 37 -1.380 -10.129 11.601 1.00 0.00 O ATOM 567 CB ASP A 37 -1.489 -11.229 14.149 1.00 0.00 C ATOM 568 CG ASP A 37 -1.906 -11.821 15.496 1.00 0.00 C ATOM 569 OD1 ASP A 37 -1.993 -11.109 16.507 1.00 0.00 O ATOM 570 OD2 ASP A 37 -2.150 -13.088 15.482 1.00 0.00 O ATOM 0 H ASP A 37 -3.863 -10.316 13.285 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.546 -9.151 14.709 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.895 -11.854 13.353 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.403 -11.276 14.069 1.00 0.00 H new ATOM 576 N PRO A 38 -0.975 -8.053 12.487 1.00 0.00 N ATOM 577 CA PRO A 38 -0.444 -7.498 11.254 1.00 0.00 C ATOM 578 C PRO A 38 0.971 -8.015 10.984 1.00 0.00 C ATOM 579 O PRO A 38 1.459 -7.939 9.857 1.00 0.00 O ATOM 580 CB PRO A 38 -0.498 -5.991 11.446 1.00 0.00 C ATOM 581 CG PRO A 38 -0.619 -5.766 12.944 1.00 0.00 C ATOM 582 CD PRO A 38 -0.986 -7.093 13.587 1.00 0.00 C ATOM 0 HA PRO A 38 -1.019 -7.796 10.377 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.399 -5.515 11.051 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.348 -5.560 10.916 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.320 -5.392 13.351 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.380 -5.015 13.157 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.270 -7.369 14.361 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.966 -7.046 14.062 1.00 0.00 H new ATOM 590 N LYS A 39 1.589 -8.530 12.036 1.00 0.00 N ATOM 591 CA LYS A 39 2.937 -9.061 11.927 1.00 0.00 C ATOM 592 C LYS A 39 2.906 -10.358 11.116 1.00 0.00 C ATOM 593 O LYS A 39 3.932 -10.794 10.596 1.00 0.00 O ATOM 594 CB LYS A 39 3.566 -9.216 13.313 1.00 0.00 C ATOM 595 CG LYS A 39 4.731 -8.242 13.499 1.00 0.00 C ATOM 596 CD LYS A 39 5.921 -8.637 12.621 1.00 0.00 C ATOM 597 CE LYS A 39 6.703 -7.401 12.171 1.00 0.00 C ATOM 598 NZ LYS A 39 8.152 -7.591 12.408 1.00 0.00 N ATOM 0 H LYS A 39 1.181 -8.591 12.969 1.00 0.00 H new ATOM 0 HA LYS A 39 3.579 -8.364 11.388 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.812 -9.038 14.080 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.918 -10.239 13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.409 -7.232 13.248 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.035 -8.229 14.546 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.579 -9.307 13.174 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.568 -9.186 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.523 -7.215 11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.352 -6.523 12.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.669 -6.744 12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.320 -7.747 13.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.486 -8.416 11.871 1.00 0.00 H new ATOM 611 N ALA A 40 1.718 -10.939 11.035 1.00 0.00 N ATOM 612 CA ALA A 40 1.540 -12.178 10.297 1.00 0.00 C ATOM 613 C ALA A 40 0.931 -11.868 8.928 1.00 0.00 C ATOM 614 O ALA A 40 0.773 -12.762 8.098 1.00 0.00 O ATOM 615 CB ALA A 40 0.677 -13.140 11.115 1.00 0.00 C ATOM 0 H ALA A 40 0.869 -10.575 11.468 1.00 0.00 H new ATOM 0 HA ALA A 40 2.500 -12.665 10.128 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.543 -14.069 10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.168 -13.351 12.065 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.296 -12.686 11.302 1.00 0.00 H new ATOM 621 N VAL A 41 0.606 -10.598 8.734 1.00 0.00 N ATOM 622 CA VAL A 41 0.017 -10.159 7.480 1.00 0.00 C ATOM 623 C VAL A 41 0.957 -9.159 6.803 1.00 0.00 C ATOM 624 O VAL A 41 1.595 -8.349 7.474 1.00 0.00 O ATOM 625 CB VAL A 41 -1.381 -9.590 7.729 1.00 0.00 C ATOM 626 CG1 VAL A 41 -1.992 -9.049 6.435 1.00 0.00 C ATOM 627 CG2 VAL A 41 -2.293 -10.639 8.370 1.00 0.00 C ATOM 0 H VAL A 41 0.739 -9.859 9.424 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.106 -11.002 6.800 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.285 -8.758 8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.986 -8.651 6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.358 -8.256 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.068 -9.854 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.281 -10.209 8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.379 -11.500 7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.870 -10.956 9.323 1.00 0.00 H new ATOM 637 N ARG A 42 1.013 -9.249 5.483 1.00 0.00 N ATOM 638 CA ARG A 42 1.864 -8.363 4.708 1.00 0.00 C ATOM 639 C ARG A 42 1.018 -7.509 3.761 1.00 0.00 C ATOM 640 O ARG A 42 -0.196 -7.687 3.675 1.00 0.00 O ATOM 641 CB ARG A 42 2.887 -9.156 3.892 1.00 0.00 C ATOM 642 CG ARG A 42 4.279 -9.062 4.518 1.00 0.00 C ATOM 643 CD ARG A 42 5.370 -9.233 3.459 1.00 0.00 C ATOM 644 NE ARG A 42 5.763 -10.657 3.362 1.00 0.00 N ATOM 645 CZ ARG A 42 6.836 -11.101 2.675 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.635 -10.234 2.016 1.00 0.00 N ATOM 647 NH2 ARG A 42 7.094 -12.395 2.656 1.00 0.00 N ATOM 0 H ARG A 42 0.483 -9.922 4.930 1.00 0.00 H new ATOM 0 HA ARG A 42 2.396 -7.718 5.408 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.580 -10.200 3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.917 -8.775 2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.395 -8.097 5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.389 -9.828 5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.009 -8.880 2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.237 -8.625 3.717 1.00 0.00 H new ATOM 0 HE ARG A 42 5.186 -11.346 3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.429 -9.235 2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.444 -10.578 1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.486 -13.044 3.156 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.901 -12.747 2.141 1.00 0.00 H new ATOM 660 N ALA A 43 1.693 -6.599 3.074 1.00 0.00 N ATOM 661 CA ALA A 43 1.019 -5.716 2.137 1.00 0.00 C ATOM 662 C ALA A 43 0.817 -6.449 0.809 1.00 0.00 C ATOM 663 O ALA A 43 -0.065 -6.095 0.028 1.00 0.00 O ATOM 664 CB ALA A 43 1.829 -4.428 1.975 1.00 0.00 C ATOM 0 H ALA A 43 2.700 -6.454 3.148 1.00 0.00 H new ATOM 0 HA ALA A 43 0.035 -5.436 2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.323 -3.766 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.919 -3.931 2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.823 -4.668 1.596 1.00 0.00 H new ATOM 670 N THR A 44 1.650 -7.456 0.592 1.00 0.00 N ATOM 671 CA THR A 44 1.574 -8.241 -0.628 1.00 0.00 C ATOM 672 C THR A 44 1.182 -9.686 -0.309 1.00 0.00 C ATOM 673 O THR A 44 1.649 -10.617 -0.963 1.00 0.00 O ATOM 674 CB THR A 44 2.917 -8.121 -1.352 1.00 0.00 C ATOM 675 OG1 THR A 44 3.884 -8.262 -0.315 1.00 0.00 O ATOM 676 CG2 THR A 44 3.162 -6.715 -1.901 1.00 0.00 C ATOM 0 H THR A 44 2.381 -7.746 1.241 1.00 0.00 H new ATOM 0 HA THR A 44 0.796 -7.865 -1.292 1.00 0.00 H new ATOM 0 HB THR A 44 2.955 -8.841 -2.169 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.784 -8.198 -0.697 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.128 -6.684 -2.405 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.375 -6.459 -2.610 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.158 -5.998 -1.080 1.00 0.00 H new ATOM 684 N THR A 45 0.330 -9.826 0.695 1.00 0.00 N ATOM 685 CA THR A 45 -0.130 -11.141 1.108 1.00 0.00 C ATOM 686 C THR A 45 -1.495 -11.447 0.489 1.00 0.00 C ATOM 687 O THR A 45 -2.280 -10.537 0.227 1.00 0.00 O ATOM 688 CB THR A 45 -0.133 -11.182 2.637 1.00 0.00 C ATOM 689 OG1 THR A 45 0.713 -12.283 2.957 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.495 -11.579 3.210 1.00 0.00 C ATOM 0 H THR A 45 -0.054 -9.051 1.235 1.00 0.00 H new ATOM 0 HA THR A 45 0.537 -11.924 0.749 1.00 0.00 H new ATOM 0 HB THR A 45 0.153 -10.205 3.026 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.769 -12.381 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.442 -11.593 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.248 -10.857 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.767 -12.570 2.848 1.00 0.00 H new ATOM 698 N PRO A 46 -1.743 -12.766 0.268 1.00 0.00 N ATOM 699 CA PRO A 46 -3.000 -13.204 -0.315 1.00 0.00 C ATOM 700 C PRO A 46 -4.135 -13.126 0.708 1.00 0.00 C ATOM 701 O PRO A 46 -4.258 -13.994 1.572 1.00 0.00 O ATOM 702 CB PRO A 46 -2.736 -14.619 -0.802 1.00 0.00 C ATOM 703 CG PRO A 46 -1.492 -15.089 -0.064 1.00 0.00 C ATOM 704 CD PRO A 46 -0.837 -13.871 0.566 1.00 0.00 C ATOM 0 HA PRO A 46 -3.326 -12.568 -1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.585 -15.269 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.581 -14.638 -1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.755 -15.820 0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.803 -15.581 -0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.711 -14.001 1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.154 -13.694 0.148 1.00 0.00 H new ATOM 712 N PHE A 47 -4.937 -12.080 0.577 1.00 0.00 N ATOM 713 CA PHE A 47 -6.058 -11.878 1.479 1.00 0.00 C ATOM 714 C PHE A 47 -6.993 -13.089 1.472 1.00 0.00 C ATOM 715 O PHE A 47 -7.696 -13.340 2.449 1.00 0.00 O ATOM 716 CB PHE A 47 -6.824 -10.654 0.973 1.00 0.00 C ATOM 717 CG PHE A 47 -7.718 -10.936 -0.237 1.00 0.00 C ATOM 718 CD1 PHE A 47 -8.906 -11.575 -0.070 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.323 -10.547 -1.479 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.735 -11.836 -1.193 1.00 0.00 C ATOM 721 CE2 PHE A 47 -8.152 -10.808 -2.602 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.341 -11.447 -2.435 1.00 0.00 C ATOM 0 H PHE A 47 -4.833 -11.363 -0.141 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.696 -11.739 2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.439 -10.263 1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.109 -9.874 0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.219 -11.884 0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.379 -10.040 -1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.679 -12.344 -1.061 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.838 -10.499 -3.588 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.972 -11.645 -3.289 1.00 0.00 H new ATOM 732 N LYS A 48 -6.970 -13.807 0.359 1.00 0.00 N ATOM 733 CA LYS A 48 -7.806 -14.986 0.211 1.00 0.00 C ATOM 734 C LYS A 48 -7.265 -16.105 1.103 1.00 0.00 C ATOM 735 O LYS A 48 -7.961 -17.085 1.367 1.00 0.00 O ATOM 736 CB LYS A 48 -7.925 -15.378 -1.263 1.00 0.00 C ATOM 737 CG LYS A 48 -9.337 -15.871 -1.587 1.00 0.00 C ATOM 738 CD LYS A 48 -9.434 -17.391 -1.438 1.00 0.00 C ATOM 739 CE LYS A 48 -9.944 -18.037 -2.728 1.00 0.00 C ATOM 740 NZ LYS A 48 -8.857 -18.786 -3.397 1.00 0.00 N ATOM 0 H LYS A 48 -6.385 -13.595 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.822 -14.776 0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.682 -14.521 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.201 -16.159 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.055 -15.390 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.602 -15.584 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.455 -17.798 -1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.104 -17.637 -0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.772 -18.709 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.331 -17.269 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.220 -19.218 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.079 -18.136 -3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.507 -19.531 -2.762 1.00 0.00 H new ATOM 753 N GLU A 49 -6.029 -15.922 1.544 1.00 0.00 N ATOM 754 CA GLU A 49 -5.387 -16.904 2.401 1.00 0.00 C ATOM 755 C GLU A 49 -5.577 -16.529 3.872 1.00 0.00 C ATOM 756 O GLU A 49 -5.505 -17.388 4.749 1.00 0.00 O ATOM 757 CB GLU A 49 -3.903 -17.043 2.058 1.00 0.00 C ATOM 758 CG GLU A 49 -3.678 -18.165 1.042 1.00 0.00 C ATOM 759 CD GLU A 49 -3.241 -19.456 1.738 1.00 0.00 C ATOM 760 OE1 GLU A 49 -2.848 -19.424 2.914 1.00 0.00 O ATOM 761 OE2 GLU A 49 -3.323 -20.521 1.014 1.00 0.00 O ATOM 0 H GLU A 49 -5.455 -15.108 1.324 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.858 -17.872 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.530 -16.102 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.334 -17.249 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.596 -18.343 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.919 -17.861 0.322 1.00 0.00 H new ATOM 769 N LEU A 50 -5.816 -15.245 4.097 1.00 0.00 N ATOM 770 CA LEU A 50 -6.016 -14.746 5.447 1.00 0.00 C ATOM 771 C LEU A 50 -7.324 -15.311 6.005 1.00 0.00 C ATOM 772 O LEU A 50 -7.469 -15.467 7.217 1.00 0.00 O ATOM 773 CB LEU A 50 -5.948 -13.218 5.469 1.00 0.00 C ATOM 774 CG LEU A 50 -4.604 -12.601 5.076 1.00 0.00 C ATOM 775 CD1 LEU A 50 -4.749 -11.105 4.793 1.00 0.00 C ATOM 776 CD2 LEU A 50 -3.539 -12.883 6.138 1.00 0.00 C ATOM 0 H LEU A 50 -5.876 -14.535 3.367 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.215 -15.087 6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.714 -12.830 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.202 -12.877 6.473 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.270 -13.072 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.779 -10.691 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.454 -10.956 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.117 -10.600 5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.594 -12.433 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.853 -12.457 7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.410 -13.960 6.247 1.00 0.00 H new ATOM 788 N GLY A 51 -8.242 -15.603 5.096 1.00 0.00 N ATOM 789 CA GLY A 51 -9.532 -16.148 5.483 1.00 0.00 C ATOM 790 C GLY A 51 -10.669 -15.210 5.070 1.00 0.00 C ATOM 791 O GLY A 51 -11.455 -14.775 5.910 1.00 0.00 O ATOM 0 H GLY A 51 -8.118 -15.472 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.673 -17.124 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.557 -16.303 6.562 1.00 0.00 H new ATOM 795 N PHE A 52 -10.719 -14.927 3.777 1.00 0.00 N ATOM 796 CA PHE A 52 -11.747 -14.049 3.242 1.00 0.00 C ATOM 797 C PHE A 52 -12.540 -14.745 2.134 1.00 0.00 C ATOM 798 O PHE A 52 -11.997 -15.568 1.400 1.00 0.00 O ATOM 799 CB PHE A 52 -11.032 -12.831 2.653 1.00 0.00 C ATOM 800 CG PHE A 52 -10.998 -11.619 3.586 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.157 -11.607 4.655 1.00 0.00 C ATOM 802 CD2 PHE A 52 -11.809 -10.554 3.347 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.125 -10.482 5.521 1.00 0.00 C ATOM 804 CE2 PHE A 52 -11.777 -9.429 4.213 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.935 -9.416 5.282 1.00 0.00 C ATOM 0 H PHE A 52 -10.065 -15.290 3.084 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.445 -13.769 4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.009 -13.110 2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.525 -12.547 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.513 -12.453 4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.477 -10.564 2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.457 -10.473 6.370 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.421 -8.583 4.023 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.910 -8.560 5.940 1.00 0.00 H new ATOM 815 N ASP A 53 -13.814 -14.388 2.049 1.00 0.00 N ATOM 816 CA ASP A 53 -14.688 -14.968 1.044 1.00 0.00 C ATOM 817 C ASP A 53 -15.742 -13.937 0.635 1.00 0.00 C ATOM 818 O ASP A 53 -15.693 -13.399 -0.470 1.00 0.00 O ATOM 819 CB ASP A 53 -15.416 -16.198 1.590 1.00 0.00 C ATOM 820 CG ASP A 53 -15.717 -16.158 3.089 1.00 0.00 C ATOM 821 OD1 ASP A 53 -14.937 -15.610 3.883 1.00 0.00 O ATOM 822 OD2 ASP A 53 -16.819 -16.729 3.439 1.00 0.00 O ATOM 0 H ASP A 53 -14.261 -13.704 2.660 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.074 -15.261 0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.355 -16.316 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.814 -17.082 1.379 1.00 0.00 H new ATOM 828 N SER A 54 -16.670 -13.692 1.548 1.00 0.00 N ATOM 829 CA SER A 54 -17.734 -12.736 1.297 1.00 0.00 C ATOM 830 C SER A 54 -17.982 -11.888 2.546 1.00 0.00 C ATOM 831 O SER A 54 -17.732 -10.684 2.544 1.00 0.00 O ATOM 832 CB SER A 54 -19.022 -13.443 0.871 1.00 0.00 C ATOM 833 OG SER A 54 -18.810 -14.318 -0.234 1.00 0.00 O ATOM 0 H SER A 54 -16.707 -14.140 2.464 1.00 0.00 H new ATOM 0 HA SER A 54 -17.422 -12.085 0.480 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.419 -14.011 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.773 -12.699 0.606 1.00 0.00 H new ATOM 0 HG SER A 54 -19.655 -14.751 -0.475 1.00 0.00 H new ATOM 839 N LEU A 55 -18.471 -12.551 3.584 1.00 0.00 N ATOM 840 CA LEU A 55 -18.756 -11.874 4.838 1.00 0.00 C ATOM 841 C LEU A 55 -17.502 -11.134 5.309 1.00 0.00 C ATOM 842 O LEU A 55 -17.576 -9.974 5.711 1.00 0.00 O ATOM 843 CB LEU A 55 -19.310 -12.861 5.866 1.00 0.00 C ATOM 844 CG LEU A 55 -20.798 -13.197 5.740 1.00 0.00 C ATOM 845 CD1 LEU A 55 -21.011 -14.708 5.628 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.597 -12.590 6.895 1.00 0.00 C ATOM 0 H LEU A 55 -18.677 -13.550 3.582 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.535 -11.125 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.741 -13.788 5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.133 -12.455 6.862 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.172 -12.750 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.077 -14.920 5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.492 -15.084 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.616 -15.198 6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.651 -12.844 6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -21.228 -12.987 7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.482 -11.506 6.887 1.00 0.00 H new ATOM 858 N ALA A 56 -16.380 -11.835 5.243 1.00 0.00 N ATOM 859 CA ALA A 56 -15.112 -11.259 5.658 1.00 0.00 C ATOM 860 C ALA A 56 -14.751 -10.104 4.722 1.00 0.00 C ATOM 861 O ALA A 56 -14.243 -9.076 5.166 1.00 0.00 O ATOM 862 CB ALA A 56 -14.039 -12.349 5.680 1.00 0.00 C ATOM 0 H ALA A 56 -16.322 -12.797 4.908 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.186 -10.854 6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.088 -11.917 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.329 -13.131 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.934 -12.777 4.683 1.00 0.00 H new ATOM 868 N ALA A 57 -15.027 -10.313 3.443 1.00 0.00 N ATOM 869 CA ALA A 57 -14.737 -9.302 2.440 1.00 0.00 C ATOM 870 C ALA A 57 -15.638 -8.088 2.671 1.00 0.00 C ATOM 871 O ALA A 57 -15.283 -6.968 2.305 1.00 0.00 O ATOM 872 CB ALA A 57 -14.915 -9.902 1.044 1.00 0.00 C ATOM 0 H ALA A 57 -15.448 -11.167 3.078 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.703 -8.966 2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.698 -9.144 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.233 -10.743 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.942 -10.247 0.925 1.00 0.00 H new ATOM 878 N VAL A 58 -16.787 -8.350 3.278 1.00 0.00 N ATOM 879 CA VAL A 58 -17.741 -7.292 3.562 1.00 0.00 C ATOM 880 C VAL A 58 -17.405 -6.658 4.914 1.00 0.00 C ATOM 881 O VAL A 58 -17.222 -5.445 5.006 1.00 0.00 O ATOM 882 CB VAL A 58 -19.167 -7.842 3.498 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.101 -7.054 4.419 1.00 0.00 C ATOM 884 CG2 VAL A 58 -19.689 -7.846 2.060 1.00 0.00 C ATOM 0 H VAL A 58 -17.078 -9.280 3.581 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.676 -6.507 2.809 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.144 -8.874 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.108 -7.466 4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.745 -7.126 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.116 -6.008 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.705 -8.242 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.689 -6.828 1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.045 -8.471 1.441 1.00 0.00 H new ATOM 894 N ARG A 59 -17.335 -7.507 5.929 1.00 0.00 N ATOM 895 CA ARG A 59 -17.024 -7.044 7.271 1.00 0.00 C ATOM 896 C ARG A 59 -15.830 -6.088 7.240 1.00 0.00 C ATOM 897 O ARG A 59 -15.772 -5.136 8.017 1.00 0.00 O ATOM 898 CB ARG A 59 -16.704 -8.219 8.197 1.00 0.00 C ATOM 899 CG ARG A 59 -17.719 -8.309 9.339 1.00 0.00 C ATOM 900 CD ARG A 59 -17.772 -9.725 9.915 1.00 0.00 C ATOM 901 NE ARG A 59 -18.086 -9.673 11.360 1.00 0.00 N ATOM 902 CZ ARG A 59 -18.538 -10.724 12.075 1.00 0.00 C ATOM 903 NH1 ARG A 59 -18.734 -11.922 11.484 1.00 0.00 N ATOM 904 NH2 ARG A 59 -18.787 -10.564 13.362 1.00 0.00 N ATOM 0 H ARG A 59 -17.488 -8.512 5.849 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.901 -6.522 7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.709 -9.148 7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.700 -8.102 8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.451 -7.603 10.125 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.706 -8.023 8.976 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.527 -10.311 9.391 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.816 -10.225 9.760 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.952 -8.786 11.846 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.540 -12.038 10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.076 -12.711 12.032 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.637 -9.656 13.801 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.129 -11.349 13.917 1.00 0.00 H new ATOM 917 N LEU A 60 -14.907 -6.374 6.334 1.00 0.00 N ATOM 918 CA LEU A 60 -13.718 -5.552 6.191 1.00 0.00 C ATOM 919 C LEU A 60 -14.114 -4.182 5.637 1.00 0.00 C ATOM 920 O LEU A 60 -13.765 -3.151 6.212 1.00 0.00 O ATOM 921 CB LEU A 60 -12.664 -6.274 5.349 1.00 0.00 C ATOM 922 CG LEU A 60 -11.451 -5.439 4.932 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.827 -4.738 6.140 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.432 -6.294 4.176 1.00 0.00 C ATOM 0 H LEU A 60 -14.959 -7.164 5.691 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.254 -5.382 7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.309 -7.139 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.145 -6.654 4.448 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.790 -4.661 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.967 -4.152 5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.564 -4.079 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.505 -5.484 6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.580 -5.677 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.093 -7.108 4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.897 -6.707 3.281 1.00 0.00 H new ATOM 936 N ARG A 61 -14.838 -4.214 4.528 1.00 0.00 N ATOM 937 CA ARG A 61 -15.285 -2.988 3.890 1.00 0.00 C ATOM 938 C ARG A 61 -15.919 -2.053 4.922 1.00 0.00 C ATOM 939 O ARG A 61 -15.713 -0.841 4.876 1.00 0.00 O ATOM 940 CB ARG A 61 -16.302 -3.281 2.785 1.00 0.00 C ATOM 941 CG ARG A 61 -16.345 -2.143 1.763 1.00 0.00 C ATOM 942 CD ARG A 61 -17.184 -0.973 2.281 1.00 0.00 C ATOM 943 NE ARG A 61 -18.292 -0.690 1.342 1.00 0.00 N ATOM 944 CZ ARG A 61 -19.502 -1.285 1.398 1.00 0.00 C ATOM 945 NH1 ARG A 61 -19.771 -2.203 2.351 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.419 -0.956 0.507 1.00 0.00 N ATOM 0 H ARG A 61 -15.126 -5.070 4.055 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.412 -2.508 3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.042 -4.214 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.291 -3.419 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.332 -1.802 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.763 -2.508 0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.584 -1.210 3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.558 -0.088 2.395 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.131 -0.002 0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.057 -2.452 3.036 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.688 -2.648 2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.208 -0.262 -0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.339 -1.396 0.535 1.00 0.00 H new ATOM 959 N ASN A 62 -16.677 -2.652 5.829 1.00 0.00 N ATOM 960 CA ASN A 62 -17.342 -1.888 6.871 1.00 0.00 C ATOM 961 C ASN A 62 -16.308 -1.432 7.902 1.00 0.00 C ATOM 962 O ASN A 62 -16.506 -0.427 8.582 1.00 0.00 O ATOM 963 CB ASN A 62 -18.388 -2.738 7.594 1.00 0.00 C ATOM 964 CG ASN A 62 -19.746 -2.650 6.895 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.643 -1.936 7.312 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.847 -3.412 5.810 1.00 0.00 N ATOM 0 H ASN A 62 -16.845 -3.657 5.864 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.832 -1.034 6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.058 -3.776 7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.484 -2.402 8.626 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.714 -3.422 5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.058 -3.987 5.515 1.00 0.00 H new ATOM 973 N LEU A 63 -15.227 -2.195 7.986 1.00 0.00 N ATOM 974 CA LEU A 63 -14.162 -1.882 8.923 1.00 0.00 C ATOM 975 C LEU A 63 -13.230 -0.840 8.300 1.00 0.00 C ATOM 976 O LEU A 63 -12.636 -0.030 9.010 1.00 0.00 O ATOM 977 CB LEU A 63 -13.446 -3.159 9.367 1.00 0.00 C ATOM 978 CG LEU A 63 -12.879 -3.151 10.788 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.715 -4.575 11.321 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.570 -2.361 10.850 1.00 0.00 C ATOM 0 H LEU A 63 -15.067 -3.029 7.421 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.572 -1.441 9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.144 -3.992 9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.629 -3.354 8.672 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.592 -2.645 11.438 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.310 -4.541 12.333 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.685 -5.072 11.335 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.033 -5.129 10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.187 -2.370 11.871 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.838 -2.817 10.184 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.751 -1.332 10.540 1.00 0.00 H new ATOM 992 N LEU A 64 -13.132 -0.895 6.980 1.00 0.00 N ATOM 993 CA LEU A 64 -12.283 0.034 6.253 1.00 0.00 C ATOM 994 C LEU A 64 -12.972 1.398 6.181 1.00 0.00 C ATOM 995 O LEU A 64 -12.320 2.415 5.946 1.00 0.00 O ATOM 996 CB LEU A 64 -11.909 -0.540 4.885 1.00 0.00 C ATOM 997 CG LEU A 64 -10.566 -1.268 4.807 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.472 -2.112 3.534 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.401 -0.284 4.929 1.00 0.00 C ATOM 0 H LEU A 64 -13.626 -1.568 6.395 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.340 0.181 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.693 -1.232 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.900 0.275 4.161 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.500 -1.953 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.507 -2.619 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.271 -2.853 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.570 -1.466 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.458 -0.828 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.452 0.443 4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.462 0.235 5.886 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.280 1.376 6.386 1.00 0.00 N ATOM 1012 CA ASN A 65 -15.065 2.599 6.347 1.00 0.00 C ATOM 1013 C ASN A 65 -14.552 3.563 7.418 1.00 0.00 C ATOM 1014 O ASN A 65 -14.860 4.753 7.386 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.541 2.316 6.633 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.445 3.153 5.727 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.933 4.208 6.098 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.641 2.627 4.522 1.00 0.00 N ATOM 0 H ASN A 65 -14.817 0.531 6.580 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.968 3.031 5.351 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.748 1.257 6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.762 2.537 7.677 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.230 3.111 3.844 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.202 1.740 4.275 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.777 3.013 8.342 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.219 3.810 9.421 1.00 0.00 C ATOM 1027 C ALA A 66 -11.794 4.230 9.054 1.00 0.00 C ATOM 1028 O ALA A 66 -11.244 5.156 9.648 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.274 3.012 10.726 1.00 0.00 C ATOM 0 H ALA A 66 -13.523 2.025 8.365 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.803 4.718 9.569 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.855 3.610 11.536 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.310 2.763 10.957 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.696 2.094 10.616 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.237 3.528 8.078 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.887 3.816 7.626 1.00 0.00 C ATOM 1037 C ALA A 67 -9.918 5.009 6.668 1.00 0.00 C ATOM 1038 O ALA A 67 -8.956 5.771 6.588 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.287 2.566 6.980 1.00 0.00 C ATOM 0 H ALA A 67 -11.696 2.760 7.588 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.250 4.086 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.274 2.782 6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.260 1.757 7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.899 2.267 6.129 1.00 0.00 H new ATOM 1045 N THR A 68 -11.035 5.134 5.966 1.00 0.00 N ATOM 1046 CA THR A 68 -11.204 6.221 5.017 1.00 0.00 C ATOM 1047 C THR A 68 -12.259 7.208 5.520 1.00 0.00 C ATOM 1048 O THR A 68 -12.012 8.412 5.575 1.00 0.00 O ATOM 1049 CB THR A 68 -11.543 5.611 3.655 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.421 4.533 3.966 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.338 4.933 3.001 1.00 0.00 C ATOM 0 H THR A 68 -11.831 4.501 6.036 1.00 0.00 H new ATOM 0 HA THR A 68 -10.287 6.800 4.911 1.00 0.00 H new ATOM 0 HB THR A 68 -11.925 6.389 2.994 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.348 4.810 3.810 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.633 4.517 2.038 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.545 5.666 2.852 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.976 4.132 3.646 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.414 6.662 5.874 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.507 7.480 6.370 1.00 0.00 C ATOM 1061 C GLY A 69 -15.434 7.907 5.230 1.00 0.00 C ATOM 1062 O GLY A 69 -16.230 8.832 5.386 1.00 0.00 O ATOM 0 H GLY A 69 -13.616 5.663 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.074 6.922 7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.108 8.363 6.869 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.300 7.212 4.110 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.116 7.508 2.944 1.00 0.00 C ATOM 1068 C LEU A 70 -16.713 6.208 2.402 1.00 0.00 C ATOM 1069 O LEU A 70 -16.546 5.147 3.001 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.307 8.292 1.909 1.00 0.00 C ATOM 1071 CG LEU A 70 -13.872 7.814 1.677 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -13.854 6.465 0.956 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -13.055 8.872 0.932 1.00 0.00 C ATOM 0 H LEU A 70 -14.639 6.445 3.985 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.951 8.153 3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.839 8.256 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.275 9.337 2.217 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.400 7.667 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.822 6.148 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.376 5.723 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.350 6.562 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.039 8.507 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.516 9.074 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.027 9.790 1.519 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.396 6.334 1.273 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.018 5.182 0.643 1.00 0.00 C ATOM 1087 C ARG A 71 -16.976 4.375 -0.134 1.00 0.00 C ATOM 1088 O ARG A 71 -16.629 4.724 -1.261 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.135 5.612 -0.310 1.00 0.00 C ATOM 1090 CG ARG A 71 -18.581 6.465 -1.453 1.00 0.00 C ATOM 1091 CD ARG A 71 -19.602 7.516 -1.897 1.00 0.00 C ATOM 1092 NE ARG A 71 -19.195 8.853 -1.411 1.00 0.00 N ATOM 1093 CZ ARG A 71 -19.807 10.004 -1.762 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -20.862 9.990 -2.605 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -19.360 11.143 -1.267 1.00 0.00 N ATOM 0 H ARG A 71 -17.532 7.216 0.779 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.447 4.564 1.432 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.631 4.730 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.889 6.177 0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -17.663 6.957 -1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -18.322 5.825 -2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -19.680 7.523 -2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.589 7.263 -1.509 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.403 8.908 -0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -21.202 9.105 -2.982 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -21.319 10.864 -2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.564 11.144 -0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.811 12.022 -1.522 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.506 3.310 0.500 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.511 2.450 -0.118 1.00 0.00 C ATOM 1110 C LEU A 72 -16.209 1.457 -1.049 1.00 0.00 C ATOM 1111 O LEU A 72 -17.407 1.211 -0.916 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.641 1.785 0.950 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.628 2.692 1.650 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.762 1.895 2.629 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.782 3.459 0.632 1.00 0.00 C ATOM 0 H LEU A 72 -16.796 3.023 1.435 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.828 3.037 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.296 1.353 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.101 0.959 0.488 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.178 3.430 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.050 2.564 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.398 1.433 3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.220 1.119 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.070 4.096 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.241 2.752 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.431 4.076 0.010 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.409 0.898 -1.997 1.00 0.00 N ATOM 1128 CA PRO A 73 -15.938 -0.063 -2.950 1.00 0.00 C ATOM 1129 C PRO A 73 -16.164 -1.424 -2.289 1.00 0.00 C ATOM 1130 O PRO A 73 -15.397 -1.829 -1.416 1.00 0.00 O ATOM 1131 CB PRO A 73 -14.912 -0.110 -4.071 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.632 0.469 -3.489 1.00 0.00 C ATOM 1133 CD PRO A 73 -13.986 1.165 -2.185 1.00 0.00 C ATOM 0 HA PRO A 73 -16.917 0.222 -3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.757 -1.132 -4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.247 0.469 -4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.901 -0.320 -3.314 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.180 1.173 -4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.397 0.775 -1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.788 2.235 -2.241 1.00 0.00 H new ATOM 1141 N SER A 74 -17.219 -2.092 -2.730 1.00 0.00 N ATOM 1142 CA SER A 74 -17.556 -3.399 -2.191 1.00 0.00 C ATOM 1143 C SER A 74 -16.652 -4.468 -2.809 1.00 0.00 C ATOM 1144 O SER A 74 -16.537 -5.571 -2.278 1.00 0.00 O ATOM 1145 CB SER A 74 -19.027 -3.737 -2.444 1.00 0.00 C ATOM 1146 OG SER A 74 -19.336 -5.080 -2.082 1.00 0.00 O ATOM 0 H SER A 74 -17.852 -1.753 -3.454 1.00 0.00 H new ATOM 0 HA SER A 74 -17.397 -3.376 -1.113 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.659 -3.054 -1.876 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.258 -3.583 -3.498 1.00 0.00 H new ATOM 0 HG SER A 74 -20.284 -5.256 -2.257 1.00 0.00 H new ATOM 1152 N THR A 75 -16.034 -4.103 -3.923 1.00 0.00 N ATOM 1153 CA THR A 75 -15.144 -5.017 -4.619 1.00 0.00 C ATOM 1154 C THR A 75 -13.714 -4.871 -4.096 1.00 0.00 C ATOM 1155 O THR A 75 -12.812 -5.582 -4.537 1.00 0.00 O ATOM 1156 CB THR A 75 -15.273 -4.751 -6.120 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.490 -3.579 -6.333 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.688 -4.331 -6.521 1.00 0.00 C ATOM 0 H THR A 75 -16.132 -3.187 -4.361 1.00 0.00 H new ATOM 0 HA THR A 75 -15.419 -6.055 -4.434 1.00 0.00 H new ATOM 0 HB THR A 75 -14.990 -5.647 -6.673 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.516 -3.336 -7.282 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.724 -4.155 -7.596 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.390 -5.122 -6.259 1.00 0.00 H new ATOM 0 HG23 THR A 75 -16.959 -3.416 -5.994 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.551 -3.944 -3.163 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.246 -3.696 -2.575 1.00 0.00 C ATOM 1168 C LEU A 76 -11.522 -5.028 -2.370 1.00 0.00 C ATOM 1169 O LEU A 76 -10.411 -5.217 -2.863 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.383 -2.867 -1.296 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.085 -2.582 -0.539 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -10.980 -1.101 -0.168 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -10.953 -3.490 0.685 1.00 0.00 C ATOM 0 H LEU A 76 -14.301 -3.356 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.632 -3.100 -3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.847 -1.915 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.067 -3.384 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.248 -2.809 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.048 -0.926 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.995 -0.497 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.822 -0.824 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.021 -3.267 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.794 -3.319 1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.949 -4.532 0.366 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.181 -5.917 -1.641 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.613 -7.226 -1.364 1.00 0.00 C ATOM 1187 C VAL A 77 -11.939 -8.173 -2.521 1.00 0.00 C ATOM 1188 O VAL A 77 -12.340 -9.314 -2.299 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.115 -7.738 -0.013 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -11.484 -9.090 0.329 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -11.851 -6.715 1.094 1.00 0.00 C ATOM 0 H VAL A 77 -13.102 -5.757 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.527 -7.164 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.193 -7.880 -0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.857 -9.432 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.744 -9.818 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.400 -8.984 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.218 -7.104 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.780 -6.527 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.367 -5.784 0.860 1.00 0.00 H new ATOM 1201 N PHE A 78 -11.755 -7.664 -3.730 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.025 -8.450 -4.922 1.00 0.00 C ATOM 1203 C PHE A 78 -11.223 -7.928 -6.116 1.00 0.00 C ATOM 1204 O PHE A 78 -10.685 -8.711 -6.897 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.518 -8.308 -5.224 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.212 -9.627 -5.568 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.613 -10.464 -4.574 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -14.427 -9.964 -6.868 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -15.257 -11.689 -4.893 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -15.071 -11.188 -7.187 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.473 -12.025 -6.193 1.00 0.00 C ATOM 0 H PHE A 78 -11.422 -6.717 -3.910 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.742 -9.489 -4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.012 -7.864 -4.360 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.646 -7.615 -6.055 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -14.442 -10.197 -3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -14.108 -9.300 -7.658 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -15.575 -12.354 -4.103 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -15.242 -11.455 -8.219 1.00 0.00 H new ATOM 0 HZ PHE A 78 -15.964 -12.956 -6.436 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.170 -6.608 -6.221 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.443 -5.972 -7.306 1.00 0.00 C ATOM 1223 C ASP A 79 -9.007 -5.694 -6.859 1.00 0.00 C ATOM 1224 O ASP A 79 -8.155 -5.347 -7.676 1.00 0.00 O ATOM 1225 CB ASP A 79 -11.085 -4.638 -7.691 1.00 0.00 C ATOM 1226 CG ASP A 79 -11.233 -4.401 -9.196 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -12.351 -4.271 -9.715 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -10.122 -4.351 -9.851 1.00 0.00 O ATOM 0 H ASP A 79 -11.619 -5.962 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.463 -6.643 -8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.071 -4.581 -7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.489 -3.830 -7.268 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.782 -5.858 -5.564 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.464 -5.629 -4.998 1.00 0.00 C ATOM 1236 C HIS A 80 -6.664 -6.933 -5.016 1.00 0.00 C ATOM 1237 O HIS A 80 -7.206 -8.001 -4.738 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.571 -5.018 -3.599 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.561 -6.035 -2.483 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.517 -6.058 -1.482 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.704 -7.063 -2.221 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.237 -7.059 -0.660 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.113 -7.680 -1.119 1.00 0.00 N ATOM 0 H HIS A 80 -9.491 -6.147 -4.890 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.924 -4.904 -5.607 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.743 -4.324 -3.452 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.490 -4.435 -3.537 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -9.303 -5.414 -1.392 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.839 -7.330 -2.810 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.800 -7.335 0.219 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.354 -6.799 -5.355 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.474 -7.954 -5.413 1.00 0.00 C ATOM 1253 C PRO A 81 -4.098 -8.428 -4.007 1.00 0.00 C ATOM 1254 O PRO A 81 -4.360 -9.573 -3.644 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.274 -7.494 -6.225 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.309 -5.975 -6.197 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.677 -5.549 -5.690 1.00 0.00 C ATOM 0 HA PRO A 81 -4.946 -8.819 -5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.345 -7.871 -5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.328 -7.867 -7.248 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.524 -5.587 -5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.128 -5.571 -7.193 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.592 -4.899 -4.819 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.226 -4.993 -6.450 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.490 -7.522 -3.255 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.075 -7.833 -1.898 1.00 0.00 C ATOM 1267 C ASN A 82 -3.607 -6.758 -0.948 1.00 0.00 C ATOM 1268 O ASN A 82 -4.758 -6.818 -0.520 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.550 -7.856 -1.779 1.00 0.00 C ATOM 1270 CG ASN A 82 -0.974 -9.146 -2.366 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -0.977 -10.197 -1.746 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -0.480 -9.009 -3.594 1.00 0.00 N ATOM 0 H ASN A 82 -3.275 -6.573 -3.560 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.471 -8.816 -1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.128 -6.996 -2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.262 -7.769 -0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.073 -9.812 -4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.509 -8.101 -4.057 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.743 -5.801 -0.646 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.111 -4.714 0.246 1.00 0.00 C ATOM 1281 C ALA A 83 -2.457 -3.418 -0.239 1.00 0.00 C ATOM 1282 O ALA A 83 -3.009 -2.334 -0.058 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.709 -5.070 1.678 1.00 0.00 C ATOM 0 H ALA A 83 -1.789 -5.755 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.190 -4.561 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.985 -4.255 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.223 -5.981 1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.632 -5.229 1.725 1.00 0.00 H new ATOM 1289 N SER A 84 -1.289 -3.574 -0.845 1.00 0.00 N ATOM 1290 CA SER A 84 -0.553 -2.430 -1.356 1.00 0.00 C ATOM 1291 C SER A 84 -1.450 -1.600 -2.277 1.00 0.00 C ATOM 1292 O SER A 84 -1.330 -0.377 -2.330 1.00 0.00 O ATOM 1293 CB SER A 84 0.707 -2.874 -2.102 1.00 0.00 C ATOM 1294 OG SER A 84 1.830 -2.056 -1.787 1.00 0.00 O ATOM 0 H SER A 84 -0.834 -4.475 -0.994 1.00 0.00 H new ATOM 0 HA SER A 84 -0.244 -1.816 -0.510 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.931 -3.910 -1.850 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.523 -2.840 -3.176 1.00 0.00 H new ATOM 0 HG SER A 84 2.614 -2.373 -2.282 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.330 -2.299 -2.980 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.247 -1.642 -3.895 1.00 0.00 C ATOM 1302 C ALA A 85 -4.432 -1.079 -3.108 1.00 0.00 C ATOM 1303 O ALA A 85 -4.882 0.036 -3.368 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.684 -2.631 -4.978 1.00 0.00 C ATOM 0 H ALA A 85 -2.427 -3.313 -2.934 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.757 -0.806 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.372 -2.138 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.809 -2.978 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.182 -3.482 -4.514 1.00 0.00 H new ATOM 1310 N VAL A 86 -4.904 -1.876 -2.160 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.028 -1.472 -1.333 1.00 0.00 C ATOM 1312 C VAL A 86 -5.782 -0.058 -0.802 1.00 0.00 C ATOM 1313 O VAL A 86 -6.685 0.777 -0.809 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.254 -2.497 -0.220 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.383 -2.054 0.713 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -6.537 -3.884 -0.802 1.00 0.00 C ATOM 0 H VAL A 86 -4.528 -2.800 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.945 -1.444 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.339 -2.560 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.523 -2.800 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.126 -1.097 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.306 -1.949 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.694 -4.594 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.430 -3.842 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.688 -4.205 -1.406 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.555 0.166 -0.354 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.179 1.465 0.180 1.00 0.00 C ATOM 1328 C ALA A 87 -4.485 2.546 -0.859 1.00 0.00 C ATOM 1329 O ALA A 87 -5.149 3.535 -0.553 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.704 1.443 0.582 1.00 0.00 C ATOM 0 H ALA A 87 -3.809 -0.529 -0.350 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.757 1.695 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.421 2.417 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.545 0.678 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.092 1.219 -0.292 1.00 0.00 H new ATOM 1336 N GLY A 88 -3.986 2.321 -2.065 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.197 3.263 -3.151 1.00 0.00 C ATOM 1338 C GLY A 88 -5.681 3.604 -3.300 1.00 0.00 C ATOM 1339 O GLY A 88 -6.070 4.765 -3.181 1.00 0.00 O ATOM 0 H GLY A 88 -3.436 1.499 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.628 4.174 -2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.822 2.839 -4.083 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.469 2.571 -3.558 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.902 2.747 -3.724 1.00 0.00 C ATOM 1345 C PHE A 89 -8.490 3.576 -2.581 1.00 0.00 C ATOM 1346 O PHE A 89 -9.373 4.403 -2.799 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.529 1.352 -3.701 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.549 1.109 -4.816 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.695 1.840 -4.861 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.309 0.163 -5.763 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.641 1.615 -5.896 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.255 -0.062 -6.798 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.401 0.669 -6.842 1.00 0.00 C ATOM 0 H PHE A 89 -6.143 1.610 -3.656 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.106 3.270 -4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.737 0.608 -3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.016 1.200 -2.738 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.886 2.592 -4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.399 -0.417 -5.728 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.551 2.196 -5.931 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.064 -0.813 -7.550 1.00 0.00 H new ATOM 0 HZ PHE A 89 -12.121 0.498 -7.629 1.00 0.00 H new ATOM 1363 N LEU A 90 -7.975 3.326 -1.386 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.437 4.039 -0.207 1.00 0.00 C ATOM 1365 C LEU A 90 -7.892 5.468 -0.235 1.00 0.00 C ATOM 1366 O LEU A 90 -8.582 6.407 0.160 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.075 3.267 1.063 1.00 0.00 C ATOM 1368 CG LEU A 90 -8.589 1.828 1.143 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -7.681 0.969 2.025 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -10.045 1.792 1.613 1.00 0.00 C ATOM 0 H LEU A 90 -7.242 2.639 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.525 4.112 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.989 3.250 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.460 3.818 1.921 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.563 1.400 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.069 -0.049 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.674 0.957 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.652 1.386 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.386 0.758 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.120 2.245 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.668 2.347 0.911 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.659 5.588 -0.704 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.014 6.887 -0.788 1.00 0.00 C ATOM 1384 C ASP A 91 -6.706 7.728 -1.863 1.00 0.00 C ATOM 1385 O ASP A 91 -7.007 8.900 -1.642 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.540 6.746 -1.176 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.614 7.818 -0.597 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -3.246 7.772 0.587 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.264 8.741 -1.426 1.00 0.00 O ATOM 0 H ASP A 91 -6.090 4.807 -1.030 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.087 7.363 0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.186 5.768 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.462 6.768 -2.263 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.940 7.096 -3.004 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.592 7.770 -4.114 1.00 0.00 C ATOM 1397 C ALA A 92 -8.980 8.239 -3.675 1.00 0.00 C ATOM 1398 O ALA A 92 -9.431 9.313 -4.072 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.647 6.832 -5.321 1.00 0.00 C ATOM 0 H ALA A 92 -6.689 6.124 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.026 8.652 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.136 7.338 -6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.634 6.553 -5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.210 5.936 -5.060 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.620 7.411 -2.862 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.948 7.727 -2.365 1.00 0.00 C ATOM 1407 C GLU A 93 -10.882 8.894 -1.378 1.00 0.00 C ATOM 1408 O GLU A 93 -11.845 9.646 -1.233 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.600 6.501 -1.722 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.072 5.510 -2.787 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.556 5.708 -3.101 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -13.916 6.642 -3.833 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.348 4.848 -2.555 1.00 0.00 O ATOM 0 H GLU A 93 -9.243 6.521 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.568 8.026 -3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.888 6.013 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.446 6.813 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.484 5.640 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.903 4.490 -2.441 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.735 9.010 -0.724 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.531 10.073 0.246 1.00 0.00 C ATOM 1423 C LEU A 94 -8.975 11.307 -0.467 1.00 0.00 C ATOM 1424 O LEU A 94 -9.110 12.426 0.026 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.654 9.583 1.401 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.329 8.643 2.402 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.304 7.715 3.059 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -10.134 9.432 3.437 1.00 0.00 C ATOM 0 H LEU A 94 -8.938 8.386 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.479 10.365 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.787 9.073 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.282 10.452 1.943 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.033 8.013 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.809 7.057 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.813 7.115 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.559 8.311 3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.604 8.741 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.469 10.103 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.904 10.015 2.932 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.363 11.062 -1.616 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.786 12.140 -2.401 1.00 0.00 C ATOM 1442 C GLY A 95 -6.732 12.903 -1.596 1.00 0.00 C ATOM 1443 O GLY A 95 -6.363 12.486 -0.499 1.00 0.00 O ATOM 0 H GLY A 95 -8.254 10.133 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.334 11.734 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.573 12.825 -2.718 1.00 0.00 H new TER 1447 GLY A 95