USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 701 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 Single : A 14 ASN : amide:sc= 0.567 K(o=0.57,f=-0.033) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00797 USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.11) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -137:sc= 1.36 (180deg=0.72) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 44:sc= 1.25 USER MOD Single : A 47 MET CE :methyl 173:sc= -1.23 (180deg=-1.67) USER MOD Single : A 53 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= -0.132 (180deg=-0.73) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 14:sc= 1.28 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00625 USER MOD Single : A 64 TYR OH : rot 150:sc= 0 USER MOD Single : A 69 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 76 MET CE :methyl -154:sc= -0.38 (180deg=-0.964) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 81 MET CE :methyl -172:sc= -0.011 (180deg=-0.17) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.0953 X(o=-0.095,f=-0.28) USER MOD Single : A 89 THR OG1 : rot 77:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 -10.227 11.497 -0.591 1.00 1.00 N ATOM 28 CA ARG A 3 -10.525 10.065 -0.411 1.00 1.00 C ATOM 29 C ARG A 3 -9.337 9.161 -0.656 1.00 1.00 C ATOM 30 O ARG A 3 -9.383 8.055 -0.148 1.00 1.00 O ATOM 31 CB ARG A 3 -11.717 9.593 -1.249 1.00 1.00 C ATOM 32 CG ARG A 3 -13.061 10.026 -0.649 1.00 1.00 C ATOM 33 CD ARG A 3 -14.250 9.170 -1.110 1.00 1.00 C ATOM 34 NE ARG A 3 -14.666 9.417 -2.504 1.00 1.00 N ATOM 35 CZ ARG A 3 -15.457 8.607 -3.227 1.00 1.00 C ATOM 36 NH1 ARG A 3 -15.873 7.435 -2.755 1.00 1.00 N ATOM 37 NH2 ARG A 3 -15.860 8.976 -4.436 1.00 1.00 N ATOM 0 HA ARG A 3 -10.790 9.981 0.643 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -11.628 9.992 -2.260 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.692 8.506 -1.332 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.994 9.983 0.438 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -13.249 11.066 -0.915 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -13.990 8.117 -1.001 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -15.097 9.359 -0.451 1.00 1.00 H new ATOM 0 HE ARG A 3 -14.327 10.268 -2.953 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -15.592 7.132 -1.823 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -16.473 6.839 -3.325 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -15.569 9.876 -4.818 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -16.461 8.360 -4.984 1.00 1.00 H new ATOM 51 N ALA A 4 -8.298 9.594 -1.373 1.00 1.00 N ATOM 52 CA ALA A 4 -7.075 8.817 -1.540 1.00 1.00 C ATOM 53 C ALA A 4 -6.646 8.234 -0.190 1.00 1.00 C ATOM 54 O ALA A 4 -6.455 7.029 -0.051 1.00 1.00 O ATOM 55 CB ALA A 4 -5.960 9.722 -2.096 1.00 1.00 C ATOM 0 H ALA A 4 -8.284 10.494 -1.853 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.258 8.001 -2.240 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.047 9.140 -2.220 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -6.267 10.126 -3.061 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.776 10.541 -1.401 1.00 1.00 H new ATOM 61 N ARG A 5 -6.541 9.103 0.820 1.00 1.00 N ATOM 62 CA ARG A 5 -6.134 8.695 2.152 1.00 1.00 C ATOM 63 C ARG A 5 -7.164 7.776 2.767 1.00 1.00 C ATOM 64 O ARG A 5 -6.801 6.686 3.185 1.00 1.00 O ATOM 65 CB ARG A 5 -5.891 9.909 3.048 1.00 1.00 C ATOM 66 CG ARG A 5 -4.680 10.702 2.552 1.00 1.00 C ATOM 67 CD ARG A 5 -4.024 11.463 3.714 1.00 1.00 C ATOM 68 NE ARG A 5 -4.912 12.493 4.285 1.00 1.00 N ATOM 69 CZ ARG A 5 -4.933 12.916 5.555 1.00 1.00 C ATOM 70 NH1 ARG A 5 -4.293 12.271 6.521 1.00 1.00 N ATOM 71 NH2 ARG A 5 -5.607 14.022 5.843 1.00 1.00 N ATOM 0 H ARG A 5 -6.736 10.100 0.730 1.00 1.00 H new ATOM 0 HA ARG A 5 -5.195 8.149 2.064 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.774 10.547 3.054 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.725 9.584 4.075 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -3.956 10.026 2.098 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -4.990 11.404 1.778 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -3.743 10.756 4.495 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -3.105 11.933 3.364 1.00 1.00 H new ATOM 0 HE ARG A 5 -5.578 12.928 3.647 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -3.764 11.426 6.306 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -4.329 12.620 7.479 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -6.094 14.529 5.104 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -5.638 14.365 6.803 1.00 1.00 H new ATOM 85 N ASP A 6 -8.431 8.188 2.806 1.00 1.00 N ATOM 86 CA ASP A 6 -9.474 7.415 3.471 1.00 1.00 C ATOM 87 C ASP A 6 -9.577 6.017 2.880 1.00 1.00 C ATOM 88 O ASP A 6 -9.850 5.068 3.608 1.00 1.00 O ATOM 89 CB ASP A 6 -10.843 8.076 3.317 1.00 1.00 C ATOM 90 CG ASP A 6 -11.071 9.315 4.161 1.00 1.00 C ATOM 91 OD1 ASP A 6 -10.168 9.774 4.889 1.00 1.00 O ATOM 92 OD2 ASP A 6 -12.185 9.879 4.054 1.00 1.00 O ATOM 0 H ASP A 6 -8.758 9.056 2.383 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.197 7.366 4.524 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.983 8.341 2.269 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.611 7.343 3.565 1.00 1.00 H new ATOM 97 N ALA A 7 -9.374 5.898 1.571 1.00 1.00 N ATOM 98 CA ALA A 7 -9.475 4.679 0.808 1.00 1.00 C ATOM 99 C ALA A 7 -8.292 3.763 1.097 1.00 1.00 C ATOM 100 O ALA A 7 -8.522 2.563 1.268 1.00 1.00 O ATOM 101 CB ALA A 7 -9.582 5.049 -0.674 1.00 1.00 C ATOM 0 H ALA A 7 -9.121 6.699 0.992 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.367 4.121 1.094 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.660 4.140 -1.271 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.468 5.664 -0.832 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.695 5.606 -0.975 1.00 1.00 H new ATOM 107 N ILE A 8 -7.059 4.289 1.130 1.00 1.00 N ATOM 108 CA ILE A 8 -5.885 3.500 1.518 1.00 1.00 C ATOM 109 C ILE A 8 -6.152 3.032 2.952 1.00 1.00 C ATOM 110 O ILE A 8 -6.098 1.836 3.220 1.00 1.00 O ATOM 111 CB ILE A 8 -4.569 4.314 1.384 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.279 4.717 -0.081 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.344 3.567 1.935 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.418 5.986 -0.166 1.00 1.00 C ATOM 0 H ILE A 8 -6.851 5.259 0.892 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.741 2.645 0.857 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.733 5.209 1.984 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.770 3.898 -0.589 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.220 4.881 -0.606 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.455 4.186 1.813 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.494 3.352 2.993 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.212 2.632 1.390 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.238 6.234 -1.212 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.939 6.812 0.318 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.466 5.814 0.335 1.00 1.00 H new ATOM 126 N LEU A 9 -6.507 3.956 3.846 1.00 1.00 N ATOM 127 CA LEU A 9 -6.737 3.698 5.257 1.00 1.00 C ATOM 128 C LEU A 9 -7.763 2.581 5.433 1.00 1.00 C ATOM 129 O LEU A 9 -7.468 1.592 6.095 1.00 1.00 O ATOM 130 CB LEU A 9 -7.131 5.018 5.951 1.00 1.00 C ATOM 131 CG LEU A 9 -7.112 5.039 7.491 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.389 4.509 8.128 1.00 1.00 C ATOM 133 CD2 LEU A 9 -5.933 4.275 8.081 1.00 1.00 C ATOM 0 H LEU A 9 -6.645 4.935 3.594 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.826 3.341 5.738 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.460 5.800 5.595 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.135 5.285 5.622 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.017 6.098 7.729 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -8.301 4.555 9.213 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.235 5.116 7.807 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.547 3.475 7.821 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -5.974 4.326 9.169 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -5.980 3.233 7.764 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.001 4.719 7.732 1.00 1.00 H new ATOM 145 N ASP A 10 -8.935 2.702 4.803 1.00 1.00 N ATOM 146 CA ASP A 10 -10.003 1.702 4.860 1.00 1.00 C ATOM 147 C ASP A 10 -9.493 0.354 4.357 1.00 1.00 C ATOM 148 O ASP A 10 -9.768 -0.681 4.965 1.00 1.00 O ATOM 149 CB ASP A 10 -11.218 2.113 4.002 1.00 1.00 C ATOM 150 CG ASP A 10 -12.195 3.109 4.633 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.105 3.417 5.841 1.00 1.00 O ATOM 152 OD2 ASP A 10 -13.098 3.578 3.895 1.00 1.00 O ATOM 0 H ASP A 10 -9.171 3.512 4.230 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.314 1.627 5.902 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.848 2.541 3.070 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.772 1.211 3.741 1.00 1.00 H new ATOM 157 N ALA A 11 -8.779 0.343 3.227 1.00 1.00 N ATOM 158 CA ALA A 11 -8.238 -0.879 2.651 1.00 1.00 C ATOM 159 C ALA A 11 -7.342 -1.581 3.670 1.00 1.00 C ATOM 160 O ALA A 11 -7.628 -2.720 4.025 1.00 1.00 O ATOM 161 CB ALA A 11 -7.514 -0.573 1.337 1.00 1.00 C ATOM 0 H ALA A 11 -8.563 1.183 2.691 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.050 -1.564 2.409 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -7.115 -1.497 0.918 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -8.215 -0.127 0.631 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.697 0.123 1.525 1.00 1.00 H new ATOM 167 N LEU A 12 -6.310 -0.893 4.165 1.00 1.00 N ATOM 168 CA LEU A 12 -5.405 -1.404 5.190 1.00 1.00 C ATOM 169 C LEU A 12 -6.141 -1.926 6.416 1.00 1.00 C ATOM 170 O LEU A 12 -5.828 -3.016 6.883 1.00 1.00 O ATOM 171 CB LEU A 12 -4.372 -0.365 5.631 1.00 1.00 C ATOM 172 CG LEU A 12 -3.126 -0.162 4.790 1.00 1.00 C ATOM 173 CD1 LEU A 12 -2.270 -1.425 4.735 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.417 0.361 3.410 1.00 1.00 C ATOM 0 H LEU A 12 -6.078 0.051 3.857 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.885 -2.236 4.715 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.882 0.596 5.701 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -4.049 -0.629 6.638 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.551 0.614 5.295 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -1.387 -1.240 4.123 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -1.962 -1.700 5.744 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.849 -2.239 4.298 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.482 0.483 2.863 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.058 -0.345 2.881 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.922 1.324 3.485 1.00 1.00 H new ATOM 186 N GLU A 13 -7.089 -1.156 6.947 1.00 1.00 N ATOM 187 CA GLU A 13 -7.878 -1.536 8.113 1.00 1.00 C ATOM 188 C GLU A 13 -8.586 -2.870 7.875 1.00 1.00 C ATOM 189 O GLU A 13 -8.649 -3.702 8.779 1.00 1.00 O ATOM 190 CB GLU A 13 -8.885 -0.430 8.462 1.00 1.00 C ATOM 191 CG GLU A 13 -8.225 0.803 9.095 1.00 1.00 C ATOM 192 CD GLU A 13 -7.826 0.568 10.546 1.00 1.00 C ATOM 193 OE1 GLU A 13 -8.701 0.715 11.433 1.00 1.00 O ATOM 194 OE2 GLU A 13 -6.631 0.313 10.825 1.00 1.00 O ATOM 0 H GLU A 13 -7.332 -0.239 6.573 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.205 -1.662 8.961 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.413 -0.129 7.558 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.631 -0.829 9.149 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.341 1.075 8.518 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -8.913 1.647 9.042 1.00 1.00 H new ATOM 201 N ASN A 14 -9.173 -3.064 6.690 1.00 1.00 N ATOM 202 CA ASN A 14 -9.879 -4.281 6.337 1.00 1.00 C ATOM 203 C ASN A 14 -8.960 -5.464 6.004 1.00 1.00 C ATOM 204 O ASN A 14 -9.473 -6.558 5.742 1.00 1.00 O ATOM 205 CB ASN A 14 -10.808 -3.991 5.160 1.00 1.00 C ATOM 206 CG ASN A 14 -12.049 -3.226 5.582 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.926 -3.739 6.274 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.170 -1.984 5.150 1.00 1.00 N ATOM 0 H ASN A 14 -9.166 -2.367 5.946 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.444 -4.586 7.218 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -10.268 -3.417 4.407 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -11.104 -4.931 4.693 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -12.998 -1.439 5.390 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.435 -1.570 4.576 1.00 1.00 H new ATOM 215 N LEU A 15 -7.635 -5.304 5.946 1.00 1.00 N ATOM 216 CA LEU A 15 -6.736 -6.428 5.737 1.00 1.00 C ATOM 217 C LEU A 15 -6.465 -7.104 7.082 1.00 1.00 C ATOM 218 O LEU A 15 -6.523 -6.471 8.134 1.00 1.00 O ATOM 219 CB LEU A 15 -5.428 -5.927 5.115 1.00 1.00 C ATOM 220 CG LEU A 15 -5.528 -5.441 3.657 1.00 1.00 C ATOM 221 CD1 LEU A 15 -4.148 -5.098 3.093 1.00 1.00 C ATOM 222 CD2 LEU A 15 -6.194 -6.471 2.742 1.00 1.00 C ATOM 0 H LEU A 15 -7.166 -4.403 6.042 1.00 1.00 H new ATOM 0 HA LEU A 15 -7.189 -7.151 5.059 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -5.046 -5.110 5.726 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.693 -6.731 5.162 1.00 1.00 H new ATOM 0 HG LEU A 15 -6.150 -4.546 3.680 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -4.250 -4.758 2.062 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.696 -4.308 3.693 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.513 -5.983 3.122 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -6.240 -6.079 1.726 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.614 -7.394 2.749 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -7.204 -6.675 3.098 1.00 1.00 H new ATOM 234 N THR A 16 -6.161 -8.401 7.059 1.00 1.00 N ATOM 235 CA THR A 16 -5.838 -9.183 8.251 1.00 1.00 C ATOM 236 C THR A 16 -4.325 -9.241 8.470 1.00 1.00 C ATOM 237 O THR A 16 -3.557 -8.729 7.658 1.00 1.00 O ATOM 238 CB THR A 16 -6.476 -10.578 8.138 1.00 1.00 C ATOM 239 OG1 THR A 16 -6.267 -11.170 6.862 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.980 -10.507 8.394 1.00 1.00 C ATOM 0 H THR A 16 -6.132 -8.946 6.198 1.00 1.00 H new ATOM 0 HA THR A 16 -6.256 -8.698 9.133 1.00 1.00 H new ATOM 0 HB THR A 16 -5.989 -11.196 8.893 1.00 1.00 H new ATOM 0 HG1 THR A 16 -6.688 -12.054 6.839 1.00 1.00 H new ATOM 0 HG21 THR A 16 -8.411 -11.505 8.309 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.161 -10.118 9.396 1.00 1.00 H new ATOM 0 HG23 THR A 16 -8.443 -9.848 7.660 1.00 1.00 H new ATOM 248 N ALA A 17 -3.886 -9.868 9.563 1.00 1.00 N ATOM 249 CA ALA A 17 -2.484 -9.954 9.951 1.00 1.00 C ATOM 250 C ALA A 17 -1.601 -10.529 8.839 1.00 1.00 C ATOM 251 O ALA A 17 -0.563 -9.945 8.536 1.00 1.00 O ATOM 252 CB ALA A 17 -2.355 -10.783 11.232 1.00 1.00 C ATOM 0 H ALA A 17 -4.513 -10.340 10.215 1.00 1.00 H new ATOM 0 HA ALA A 17 -2.128 -8.940 10.135 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.306 -10.846 11.520 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.923 -10.308 12.032 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.744 -11.786 11.057 1.00 1.00 H new ATOM 258 N GLU A 18 -1.980 -11.659 8.229 1.00 1.00 N ATOM 259 CA GLU A 18 -1.133 -12.291 7.207 1.00 1.00 C ATOM 260 C GLU A 18 -1.122 -11.439 5.934 1.00 1.00 C ATOM 261 O GLU A 18 -0.096 -11.343 5.259 1.00 1.00 O ATOM 262 CB GLU A 18 -1.606 -13.728 6.929 1.00 1.00 C ATOM 263 CG GLU A 18 -0.801 -14.500 5.865 1.00 1.00 C ATOM 264 CD GLU A 18 0.691 -14.711 6.161 1.00 1.00 C ATOM 265 OE1 GLU A 18 1.167 -14.479 7.293 1.00 1.00 O ATOM 266 OE2 GLU A 18 1.410 -15.144 5.228 1.00 1.00 O ATOM 0 H GLU A 18 -2.854 -12.149 8.420 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.109 -12.352 7.577 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.572 -14.290 7.863 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -2.649 -13.694 6.615 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.264 -15.477 5.728 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -0.890 -13.969 4.917 1.00 1.00 H new ATOM 273 N GLU A 19 -2.246 -10.784 5.624 1.00 1.00 N ATOM 274 CA GLU A 19 -2.333 -9.863 4.502 1.00 1.00 C ATOM 275 C GLU A 19 -1.391 -8.692 4.766 1.00 1.00 C ATOM 276 O GLU A 19 -0.529 -8.421 3.942 1.00 1.00 O ATOM 277 CB GLU A 19 -3.773 -9.373 4.291 1.00 1.00 C ATOM 278 CG GLU A 19 -4.720 -10.442 3.737 1.00 1.00 C ATOM 279 CD GLU A 19 -4.456 -10.747 2.261 1.00 1.00 C ATOM 280 OE1 GLU A 19 -5.012 -10.030 1.395 1.00 1.00 O ATOM 281 OE2 GLU A 19 -3.734 -11.724 1.965 1.00 1.00 O ATOM 0 H GLU A 19 -3.116 -10.882 6.147 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.038 -10.377 3.587 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.166 -9.012 5.241 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.761 -8.524 3.608 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.611 -11.357 4.319 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.751 -10.108 3.858 1.00 1.00 H new ATOM 288 N LEU A 20 -1.501 -8.011 5.910 1.00 1.00 N ATOM 289 CA LEU A 20 -0.671 -6.852 6.219 1.00 1.00 C ATOM 290 C LEU A 20 0.802 -7.221 6.278 1.00 1.00 C ATOM 291 O LEU A 20 1.624 -6.475 5.756 1.00 1.00 O ATOM 292 CB LEU A 20 -1.133 -6.146 7.508 1.00 1.00 C ATOM 293 CG LEU A 20 -2.457 -5.373 7.341 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.755 -4.504 8.559 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.394 -4.424 6.145 1.00 1.00 C ATOM 0 H LEU A 20 -2.168 -8.250 6.644 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.794 -6.140 5.403 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.251 -6.888 8.298 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.356 -5.455 7.834 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.230 -6.129 7.205 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.695 -3.974 8.406 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.833 -5.134 9.445 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.950 -3.782 8.697 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -3.341 -3.893 6.052 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.588 -3.705 6.293 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -2.208 -4.996 5.236 1.00 1.00 H new ATOM 307 N LYS A 21 1.153 -8.372 6.844 1.00 1.00 N ATOM 308 CA LYS A 21 2.517 -8.888 6.863 1.00 1.00 C ATOM 309 C LYS A 21 3.040 -8.947 5.433 1.00 1.00 C ATOM 310 O LYS A 21 4.081 -8.363 5.107 1.00 1.00 O ATOM 311 CB LYS A 21 2.449 -10.281 7.495 1.00 1.00 C ATOM 312 CG LYS A 21 3.772 -11.071 7.535 1.00 1.00 C ATOM 313 CD LYS A 21 3.724 -12.344 6.667 1.00 1.00 C ATOM 314 CE LYS A 21 4.501 -13.491 7.328 1.00 1.00 C ATOM 315 NZ LYS A 21 3.924 -14.809 6.996 1.00 1.00 N ATOM 0 H LYS A 21 0.484 -8.984 7.311 1.00 1.00 H new ATOM 0 HA LYS A 21 3.194 -8.255 7.436 1.00 1.00 H new ATOM 0 HB2 LYS A 21 2.080 -10.178 8.515 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.713 -10.871 6.948 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.585 -10.431 7.191 1.00 1.00 H new ATOM 0 HG3 LYS A 21 3.997 -11.346 8.566 1.00 1.00 H new ATOM 0 HD2 LYS A 21 2.688 -12.644 6.512 1.00 1.00 H new ATOM 0 HD3 LYS A 21 4.145 -12.134 5.684 1.00 1.00 H new ATOM 0 HE2 LYS A 21 5.542 -13.458 7.005 1.00 1.00 H new ATOM 0 HE3 LYS A 21 4.499 -13.355 8.410 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 4.456 -15.555 7.488 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 2.929 -14.838 7.296 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 3.980 -14.964 5.969 1.00 1.00 H new ATOM 329 N LYS A 22 2.311 -9.659 4.574 1.00 1.00 N ATOM 330 CA LYS A 22 2.713 -9.828 3.194 1.00 1.00 C ATOM 331 C LYS A 22 2.705 -8.488 2.474 1.00 1.00 C ATOM 332 O LYS A 22 3.660 -8.250 1.760 1.00 1.00 O ATOM 333 CB LYS A 22 1.864 -10.902 2.510 1.00 1.00 C ATOM 334 CG LYS A 22 2.298 -12.293 3.000 1.00 1.00 C ATOM 335 CD LYS A 22 1.518 -13.422 2.328 1.00 1.00 C ATOM 336 CE LYS A 22 1.917 -13.615 0.865 1.00 1.00 C ATOM 337 NZ LYS A 22 1.305 -14.830 0.296 1.00 1.00 N ATOM 0 H LYS A 22 1.438 -10.126 4.819 1.00 1.00 H new ATOM 0 HA LYS A 22 3.740 -10.191 3.153 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.809 -10.741 2.731 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.977 -10.835 1.428 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.362 -12.427 2.807 1.00 1.00 H new ATOM 0 HG3 LYS A 22 2.160 -12.353 4.080 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.686 -14.351 2.873 1.00 1.00 H new ATOM 0 HD3 LYS A 22 0.451 -13.207 2.386 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.610 -12.745 0.285 1.00 1.00 H new ATOM 0 HE3 LYS A 22 3.002 -13.682 0.788 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 1.595 -14.932 -0.697 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 1.618 -15.662 0.836 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 0.269 -14.754 0.348 1.00 1.00 H new ATOM 351 N PHE A 23 1.744 -7.588 2.681 1.00 1.00 N ATOM 352 CA PHE A 23 1.720 -6.252 2.083 1.00 1.00 C ATOM 353 C PHE A 23 2.996 -5.507 2.425 1.00 1.00 C ATOM 354 O PHE A 23 3.683 -4.998 1.546 1.00 1.00 O ATOM 355 CB PHE A 23 0.511 -5.453 2.584 1.00 1.00 C ATOM 356 CG PHE A 23 0.389 -4.052 1.999 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.132 -3.870 0.625 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.527 -2.919 2.828 1.00 1.00 C ATOM 359 CE1 PHE A 23 -0.009 -2.576 0.089 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.367 -1.629 2.289 1.00 1.00 C ATOM 361 CZ PHE A 23 0.114 -1.454 0.921 1.00 1.00 C ATOM 0 H PHE A 23 0.941 -7.771 3.283 1.00 1.00 H new ATOM 0 HA PHE A 23 1.642 -6.364 1.002 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.397 -6.010 2.352 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.568 -5.375 3.670 1.00 1.00 H new ATOM 0 HD1 PHE A 23 0.043 -4.730 -0.022 1.00 1.00 H new ATOM 0 HD2 PHE A 23 0.755 -3.042 3.876 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -0.212 -2.447 -0.964 1.00 1.00 H new ATOM 0 HE2 PHE A 23 0.440 -0.766 2.935 1.00 1.00 H new ATOM 0 HZ PHE A 23 0.014 -0.460 0.510 1.00 1.00 H new ATOM 371 N LYS A 24 3.330 -5.456 3.709 1.00 1.00 N ATOM 372 CA LYS A 24 4.498 -4.772 4.228 1.00 1.00 C ATOM 373 C LYS A 24 5.782 -5.340 3.621 1.00 1.00 C ATOM 374 O LYS A 24 6.714 -4.580 3.369 1.00 1.00 O ATOM 375 CB LYS A 24 4.415 -4.808 5.755 1.00 1.00 C ATOM 376 CG LYS A 24 3.250 -3.919 6.246 1.00 1.00 C ATOM 377 CD LYS A 24 2.922 -4.120 7.730 1.00 1.00 C ATOM 378 CE LYS A 24 1.731 -3.252 8.142 1.00 1.00 C ATOM 379 NZ LYS A 24 2.046 -1.819 8.027 1.00 1.00 N ATOM 0 H LYS A 24 2.775 -5.905 4.437 1.00 1.00 H new ATOM 0 HA LYS A 24 4.523 -3.723 3.933 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.268 -5.833 6.095 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.354 -4.461 6.186 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.503 -2.873 6.075 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.362 -4.134 5.652 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.696 -5.170 7.919 1.00 1.00 H new ATOM 0 HD3 LYS A 24 3.791 -3.866 8.337 1.00 1.00 H new ATOM 0 HE2 LYS A 24 0.872 -3.489 7.514 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.449 -3.483 9.169 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.681 -1.315 8.861 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 3.077 -1.694 7.971 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 1.603 -1.434 7.168 1.00 1.00 H new ATOM 393 N LEU A 25 5.854 -6.647 3.361 1.00 1.00 N ATOM 394 CA LEU A 25 6.995 -7.248 2.671 1.00 1.00 C ATOM 395 C LEU A 25 6.929 -6.928 1.178 1.00 1.00 C ATOM 396 O LEU A 25 7.951 -6.582 0.596 1.00 1.00 O ATOM 397 CB LEU A 25 6.996 -8.772 2.885 1.00 1.00 C ATOM 398 CG LEU A 25 7.521 -9.178 4.274 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.952 -10.539 4.680 1.00 1.00 C ATOM 400 CD2 LEU A 25 9.053 -9.240 4.282 1.00 1.00 C ATOM 0 H LEU A 25 5.128 -7.314 3.621 1.00 1.00 H new ATOM 0 HA LEU A 25 7.916 -6.834 3.081 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.983 -9.153 2.759 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.611 -9.242 2.117 1.00 1.00 H new ATOM 0 HG LEU A 25 7.197 -8.423 4.990 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.332 -10.813 5.664 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.864 -10.483 4.714 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.254 -11.292 3.952 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.400 -9.529 5.274 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.391 -9.974 3.551 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.458 -8.261 4.027 1.00 1.00 H new ATOM 412 N LYS A 26 5.758 -7.037 0.546 1.00 1.00 N ATOM 413 CA LYS A 26 5.509 -6.827 -0.881 1.00 1.00 C ATOM 414 C LYS A 26 5.847 -5.394 -1.279 1.00 1.00 C ATOM 415 O LYS A 26 6.416 -5.185 -2.352 1.00 1.00 O ATOM 416 CB LYS A 26 4.066 -7.205 -1.238 1.00 1.00 C ATOM 417 CG LYS A 26 3.814 -8.724 -1.150 1.00 1.00 C ATOM 418 CD LYS A 26 3.790 -9.388 -2.529 1.00 1.00 C ATOM 419 CE LYS A 26 3.252 -10.821 -2.484 1.00 1.00 C ATOM 420 NZ LYS A 26 4.150 -11.764 -1.790 1.00 1.00 N ATOM 0 H LYS A 26 4.907 -7.290 1.048 1.00 1.00 H new ATOM 0 HA LYS A 26 6.164 -7.483 -1.455 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.381 -6.687 -0.566 1.00 1.00 H new ATOM 0 HB3 LYS A 26 3.843 -6.861 -2.248 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.591 -9.185 -0.541 1.00 1.00 H new ATOM 0 HG3 LYS A 26 2.865 -8.904 -0.645 1.00 1.00 H new ATOM 0 HD2 LYS A 26 3.174 -8.794 -3.204 1.00 1.00 H new ATOM 0 HD3 LYS A 26 4.799 -9.395 -2.942 1.00 1.00 H new ATOM 0 HE2 LYS A 26 2.282 -10.821 -1.986 1.00 1.00 H new ATOM 0 HE3 LYS A 26 3.087 -11.171 -3.503 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 3.727 -12.714 -1.795 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 5.068 -11.791 -2.277 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 4.288 -11.452 -0.808 1.00 1.00 H new ATOM 434 N LEU A 27 5.550 -4.424 -0.409 1.00 1.00 N ATOM 435 CA LEU A 27 5.906 -3.020 -0.566 1.00 1.00 C ATOM 436 C LEU A 27 7.402 -2.874 -0.781 1.00 1.00 C ATOM 437 O LEU A 27 7.831 -1.928 -1.440 1.00 1.00 O ATOM 438 CB LEU A 27 5.529 -2.204 0.690 1.00 1.00 C ATOM 439 CG LEU A 27 4.064 -1.760 0.794 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.702 -1.276 2.197 1.00 1.00 C ATOM 441 CD2 LEU A 27 3.854 -0.552 -0.115 1.00 1.00 C ATOM 0 H LEU A 27 5.037 -4.607 0.453 1.00 1.00 H new ATOM 0 HA LEU A 27 5.356 -2.644 -1.429 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.770 -2.799 1.571 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.160 -1.316 0.724 1.00 1.00 H new ATOM 0 HG LEU A 27 3.453 -2.622 0.526 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.655 -0.973 2.219 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.861 -2.083 2.913 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.331 -0.426 2.462 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.816 -0.225 -0.051 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.510 0.259 0.201 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.086 -0.826 -1.144 1.00 1.00 H new ATOM 453 N LEU A 28 8.204 -3.783 -0.227 1.00 1.00 N ATOM 454 CA LEU A 28 9.642 -3.794 -0.386 1.00 1.00 C ATOM 455 C LEU A 28 10.007 -5.151 -0.995 1.00 1.00 C ATOM 456 O LEU A 28 10.769 -5.939 -0.427 1.00 1.00 O ATOM 457 CB LEU A 28 10.300 -3.483 0.964 1.00 1.00 C ATOM 458 CG LEU A 28 11.752 -2.950 0.849 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.602 -3.517 1.988 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.467 -3.095 -0.512 1.00 1.00 C ATOM 0 H LEU A 28 7.856 -4.545 0.356 1.00 1.00 H new ATOM 0 HA LEU A 28 10.014 -3.024 -1.061 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.694 -2.746 1.491 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.303 -4.387 1.572 1.00 1.00 H new ATOM 0 HG LEU A 28 11.642 -1.869 0.933 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.621 -3.140 1.904 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.180 -3.210 2.945 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.611 -4.605 1.928 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.472 -2.679 -0.441 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.529 -4.150 -0.780 1.00 1.00 H new ATOM 0 HD23 LEU A 28 11.905 -2.559 -1.277 1.00 1.00 H new ATOM 472 N SER A 29 9.373 -5.444 -2.130 1.00 1.00 N ATOM 473 CA SER A 29 9.521 -6.652 -2.921 1.00 1.00 C ATOM 474 C SER A 29 9.451 -6.232 -4.382 1.00 1.00 C ATOM 475 O SER A 29 10.443 -6.366 -5.097 1.00 1.00 O ATOM 476 CB SER A 29 8.405 -7.634 -2.564 1.00 1.00 C ATOM 477 OG SER A 29 8.696 -8.968 -2.897 1.00 1.00 O ATOM 0 H SER A 29 8.700 -4.798 -2.543 1.00 1.00 H new ATOM 0 HA SER A 29 10.468 -7.155 -2.725 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.207 -7.571 -1.494 1.00 1.00 H new ATOM 0 HB3 SER A 29 7.491 -7.333 -3.076 1.00 1.00 H new ATOM 0 HG SER A 29 7.943 -9.541 -2.641 1.00 1.00 H new ATOM 483 N VAL A 30 8.306 -5.694 -4.824 1.00 1.00 N ATOM 484 CA VAL A 30 8.167 -5.164 -6.172 1.00 1.00 C ATOM 485 C VAL A 30 9.150 -3.986 -6.268 1.00 1.00 C ATOM 486 O VAL A 30 9.009 -3.029 -5.503 1.00 1.00 O ATOM 487 CB VAL A 30 6.686 -4.844 -6.479 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.043 -3.740 -5.628 1.00 1.00 C ATOM 489 CG2 VAL A 30 6.510 -4.524 -7.968 1.00 1.00 C ATOM 0 H VAL A 30 7.462 -5.618 -4.257 1.00 1.00 H new ATOM 0 HA VAL A 30 8.429 -5.878 -6.953 1.00 1.00 H new ATOM 0 HB VAL A 30 6.151 -5.753 -6.204 1.00 1.00 H new ATOM 0 HG11 VAL A 30 5.005 -3.604 -5.933 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.078 -4.024 -4.576 1.00 1.00 H new ATOM 0 HG13 VAL A 30 6.588 -2.807 -5.770 1.00 1.00 H new ATOM 0 HG21 VAL A 30 5.463 -4.300 -8.171 1.00 1.00 H new ATOM 0 HG22 VAL A 30 7.122 -3.661 -8.230 1.00 1.00 H new ATOM 0 HG23 VAL A 30 6.820 -5.383 -8.564 1.00 1.00 H new ATOM 499 N PRO A 31 10.210 -4.056 -7.092 1.00 1.00 N ATOM 500 CA PRO A 31 11.218 -3.010 -7.132 1.00 1.00 C ATOM 501 C PRO A 31 10.567 -1.798 -7.799 1.00 1.00 C ATOM 502 O PRO A 31 10.241 -1.827 -8.993 1.00 1.00 O ATOM 503 CB PRO A 31 12.385 -3.601 -7.923 1.00 1.00 C ATOM 504 CG PRO A 31 11.722 -4.619 -8.854 1.00 1.00 C ATOM 505 CD PRO A 31 10.474 -5.074 -8.098 1.00 1.00 C ATOM 0 HA PRO A 31 11.591 -2.681 -6.162 1.00 1.00 H new ATOM 0 HB2 PRO A 31 12.916 -2.833 -8.485 1.00 1.00 H new ATOM 0 HB3 PRO A 31 13.113 -4.076 -7.266 1.00 1.00 H new ATOM 0 HG2 PRO A 31 11.463 -4.170 -9.813 1.00 1.00 H new ATOM 0 HG3 PRO A 31 12.387 -5.457 -9.063 1.00 1.00 H new ATOM 0 HD2 PRO A 31 9.627 -5.180 -8.775 1.00 1.00 H new ATOM 0 HD3 PRO A 31 10.634 -6.047 -7.633 1.00 1.00 H new ATOM 513 N LEU A 32 10.377 -0.725 -7.036 1.00 1.00 N ATOM 514 CA LEU A 32 9.662 0.460 -7.491 1.00 1.00 C ATOM 515 C LEU A 32 10.594 1.384 -8.287 1.00 1.00 C ATOM 516 O LEU A 32 11.805 1.159 -8.361 1.00 1.00 O ATOM 517 CB LEU A 32 9.073 1.149 -6.256 1.00 1.00 C ATOM 518 CG LEU A 32 7.950 2.150 -6.603 1.00 1.00 C ATOM 519 CD1 LEU A 32 6.644 1.778 -5.904 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.380 3.559 -6.202 1.00 1.00 C ATOM 0 H LEU A 32 10.718 -0.655 -6.077 1.00 1.00 H new ATOM 0 HA LEU A 32 8.854 0.190 -8.171 1.00 1.00 H new ATOM 0 HB2 LEU A 32 8.681 0.392 -5.577 1.00 1.00 H new ATOM 0 HB3 LEU A 32 9.868 1.673 -5.725 1.00 1.00 H new ATOM 0 HG LEU A 32 7.775 2.115 -7.678 1.00 1.00 H new ATOM 0 HD11 LEU A 32 5.872 2.501 -6.167 1.00 1.00 H new ATOM 0 HD12 LEU A 32 6.333 0.783 -6.221 1.00 1.00 H new ATOM 0 HD13 LEU A 32 6.794 1.785 -4.824 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.587 4.265 -6.447 1.00 1.00 H new ATOM 0 HD22 LEU A 32 8.574 3.589 -5.130 1.00 1.00 H new ATOM 0 HD23 LEU A 32 9.287 3.830 -6.742 1.00 1.00 H new ATOM 532 N ARG A 33 10.039 2.436 -8.882 1.00 1.00 N ATOM 533 CA ARG A 33 10.744 3.352 -9.765 1.00 1.00 C ATOM 534 C ARG A 33 11.700 4.296 -9.062 1.00 1.00 C ATOM 535 O ARG A 33 11.646 4.527 -7.856 1.00 1.00 O ATOM 536 CB ARG A 33 9.707 4.249 -10.463 1.00 1.00 C ATOM 537 CG ARG A 33 9.050 3.577 -11.660 1.00 1.00 C ATOM 538 CD ARG A 33 7.744 4.301 -11.990 1.00 1.00 C ATOM 539 NE ARG A 33 7.307 4.000 -13.353 1.00 1.00 N ATOM 540 CZ ARG A 33 6.819 2.842 -13.799 1.00 1.00 C ATOM 541 NH1 ARG A 33 6.629 1.805 -12.990 1.00 1.00 N ATOM 542 NH2 ARG A 33 6.524 2.737 -15.082 1.00 1.00 N ATOM 0 H ARG A 33 9.056 2.679 -8.757 1.00 1.00 H new ATOM 0 HA ARG A 33 11.322 2.722 -10.440 1.00 1.00 H new ATOM 0 HB2 ARG A 33 8.938 4.532 -9.745 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.192 5.169 -10.790 1.00 1.00 H new ATOM 0 HG2 ARG A 33 9.720 3.602 -12.519 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.852 2.528 -11.440 1.00 1.00 H new ATOM 0 HD2 ARG A 33 6.970 4.003 -11.282 1.00 1.00 H new ATOM 0 HD3 ARG A 33 7.882 5.376 -11.878 1.00 1.00 H new ATOM 0 HE ARG A 33 7.384 4.755 -14.034 1.00 1.00 H new ATOM 0 HH11 ARG A 33 6.858 1.883 -11.999 1.00 1.00 H new ATOM 0 HH12 ARG A 33 6.254 0.932 -13.360 1.00 1.00 H new ATOM 0 HH21 ARG A 33 6.671 3.531 -15.706 1.00 1.00 H new ATOM 0 HH22 ARG A 33 6.149 1.862 -15.449 1.00 1.00 H new ATOM 556 N GLU A 34 12.586 4.840 -9.881 1.00 1.00 N ATOM 557 CA GLU A 34 13.553 5.867 -9.558 1.00 1.00 C ATOM 558 C GLU A 34 12.796 7.194 -9.691 1.00 1.00 C ATOM 559 O GLU A 34 11.729 7.257 -10.317 1.00 1.00 O ATOM 560 CB GLU A 34 14.698 5.702 -10.555 1.00 1.00 C ATOM 561 CG GLU A 34 15.824 6.726 -10.406 1.00 1.00 C ATOM 562 CD GLU A 34 17.060 6.333 -11.214 1.00 1.00 C ATOM 563 OE1 GLU A 34 16.970 5.425 -12.081 1.00 1.00 O ATOM 564 OE2 GLU A 34 18.136 6.894 -10.917 1.00 1.00 O ATOM 0 H GLU A 34 12.649 4.552 -10.857 1.00 1.00 H new ATOM 0 HA GLU A 34 13.981 5.818 -8.557 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.117 4.702 -10.445 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.295 5.769 -11.566 1.00 1.00 H new ATOM 0 HG2 GLU A 34 15.471 7.704 -10.734 1.00 1.00 H new ATOM 0 HG3 GLU A 34 16.093 6.820 -9.354 1.00 1.00 H new ATOM 571 N GLY A 35 13.318 8.273 -9.120 1.00 1.00 N ATOM 572 CA GLY A 35 12.622 9.556 -9.083 1.00 1.00 C ATOM 573 C GLY A 35 11.587 9.572 -7.951 1.00 1.00 C ATOM 574 O GLY A 35 10.920 10.579 -7.738 1.00 1.00 O ATOM 0 H GLY A 35 14.233 8.285 -8.670 1.00 1.00 H new ATOM 0 HA2 GLY A 35 13.341 10.363 -8.938 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.128 9.737 -10.038 1.00 1.00 H new ATOM 578 N TYR A 36 11.459 8.451 -7.236 1.00 1.00 N ATOM 579 CA TYR A 36 10.664 8.173 -6.066 1.00 1.00 C ATOM 580 C TYR A 36 11.533 7.287 -5.161 1.00 1.00 C ATOM 581 O TYR A 36 12.635 6.878 -5.550 1.00 1.00 O ATOM 582 CB TYR A 36 9.370 7.455 -6.472 1.00 1.00 C ATOM 583 CG TYR A 36 8.340 8.234 -7.280 1.00 1.00 C ATOM 584 CD1 TYR A 36 8.056 9.584 -6.997 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.609 7.575 -8.286 1.00 1.00 C ATOM 586 CE1 TYR A 36 7.099 10.291 -7.748 1.00 1.00 C ATOM 587 CE2 TYR A 36 6.651 8.275 -9.040 1.00 1.00 C ATOM 588 CZ TYR A 36 6.389 9.638 -8.780 1.00 1.00 C ATOM 589 OH TYR A 36 5.461 10.298 -9.532 1.00 1.00 O ATOM 0 H TYR A 36 11.983 7.620 -7.511 1.00 1.00 H new ATOM 0 HA TYR A 36 10.371 9.084 -5.545 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.646 6.571 -7.047 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.884 7.104 -5.562 1.00 1.00 H new ATOM 0 HD1 TYR A 36 8.579 10.082 -6.194 1.00 1.00 H new ATOM 0 HD2 TYR A 36 7.785 6.527 -8.480 1.00 1.00 H new ATOM 0 HE1 TYR A 36 6.907 11.332 -7.536 1.00 1.00 H new ATOM 0 HE2 TYR A 36 6.111 7.766 -9.825 1.00 1.00 H new ATOM 0 HH TYR A 36 5.079 9.684 -10.193 1.00 1.00 H new ATOM 599 N GLY A 37 11.040 6.997 -3.957 1.00 1.00 N ATOM 600 CA GLY A 37 11.764 6.243 -2.930 1.00 1.00 C ATOM 601 C GLY A 37 11.178 4.852 -2.692 1.00 1.00 C ATOM 602 O GLY A 37 10.269 4.435 -3.410 1.00 1.00 O ATOM 0 H GLY A 37 10.107 7.285 -3.661 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.809 6.146 -3.226 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.748 6.804 -1.995 1.00 1.00 H new ATOM 606 N ARG A 38 11.653 4.126 -1.669 1.00 1.00 N ATOM 607 CA ARG A 38 11.107 2.822 -1.256 1.00 1.00 C ATOM 608 C ARG A 38 11.088 2.747 0.268 1.00 1.00 C ATOM 609 O ARG A 38 12.124 2.960 0.898 1.00 1.00 O ATOM 610 CB ARG A 38 11.899 1.651 -1.864 1.00 1.00 C ATOM 611 CG ARG A 38 11.868 1.690 -3.398 1.00 1.00 C ATOM 612 CD ARG A 38 12.466 0.434 -4.033 1.00 1.00 C ATOM 613 NE ARG A 38 13.002 0.726 -5.370 1.00 1.00 N ATOM 614 CZ ARG A 38 13.899 -0.002 -6.042 1.00 1.00 C ATOM 615 NH1 ARG A 38 14.231 -1.229 -5.654 1.00 1.00 N ATOM 616 NH2 ARG A 38 14.477 0.524 -7.111 1.00 1.00 N ATOM 0 H ARG A 38 12.439 4.432 -1.096 1.00 1.00 H new ATOM 0 HA ARG A 38 10.088 2.734 -1.633 1.00 1.00 H new ATOM 0 HB2 ARG A 38 12.932 1.690 -1.518 1.00 1.00 H new ATOM 0 HB3 ARG A 38 11.481 0.707 -1.514 1.00 1.00 H new ATOM 0 HG2 ARG A 38 10.837 1.806 -3.734 1.00 1.00 H new ATOM 0 HG3 ARG A 38 12.417 2.565 -3.746 1.00 1.00 H new ATOM 0 HD2 ARG A 38 13.259 0.042 -3.396 1.00 1.00 H new ATOM 0 HD3 ARG A 38 11.703 -0.341 -4.104 1.00 1.00 H new ATOM 0 HE ARG A 38 12.655 1.567 -5.831 1.00 1.00 H new ATOM 0 HH11 ARG A 38 13.798 -1.636 -4.825 1.00 1.00 H new ATOM 0 HH12 ARG A 38 14.919 -1.763 -6.185 1.00 1.00 H new ATOM 0 HH21 ARG A 38 14.235 1.469 -7.408 1.00 1.00 H new ATOM 0 HH22 ARG A 38 15.164 -0.016 -7.637 1.00 1.00 H new ATOM 630 N ILE A 39 9.933 2.450 0.864 1.00 1.00 N ATOM 631 CA ILE A 39 9.750 2.387 2.313 1.00 1.00 C ATOM 632 C ILE A 39 10.215 0.983 2.738 1.00 1.00 C ATOM 633 O ILE A 39 9.721 0.000 2.174 1.00 1.00 O ATOM 634 CB ILE A 39 8.265 2.608 2.714 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.602 3.821 2.017 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.183 2.787 4.244 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.080 3.887 2.193 1.00 1.00 C ATOM 0 H ILE A 39 9.082 2.242 0.342 1.00 1.00 H new ATOM 0 HA ILE A 39 10.321 3.173 2.807 1.00 1.00 H new ATOM 0 HB ILE A 39 7.714 1.727 2.384 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.043 4.738 2.409 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.833 3.786 0.952 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.145 2.943 4.537 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.569 1.894 4.736 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.778 3.651 4.542 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.692 4.764 1.676 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.626 2.989 1.775 1.00 1.00 H new ATOM 0 HD13 ILE A 39 5.839 3.955 3.254 1.00 1.00 H new ATOM 649 N PRO A 40 11.168 0.852 3.677 1.00 1.00 N ATOM 650 CA PRO A 40 11.700 -0.442 4.080 1.00 1.00 C ATOM 651 C PRO A 40 10.739 -1.180 5.029 1.00 1.00 C ATOM 652 O PRO A 40 9.923 -0.589 5.746 1.00 1.00 O ATOM 653 CB PRO A 40 13.050 -0.121 4.719 1.00 1.00 C ATOM 654 CG PRO A 40 12.760 1.215 5.391 1.00 1.00 C ATOM 655 CD PRO A 40 11.871 1.921 4.370 1.00 1.00 C ATOM 0 HA PRO A 40 11.817 -1.128 3.241 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.355 -0.883 5.436 1.00 1.00 H new ATOM 0 HB3 PRO A 40 13.846 -0.043 3.978 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.253 1.085 6.347 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.674 1.776 5.588 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.173 2.600 4.858 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.464 2.517 3.677 1.00 1.00 H new ATOM 663 N ARG A 41 10.885 -2.505 5.093 1.00 1.00 N ATOM 664 CA ARG A 41 9.987 -3.377 5.846 1.00 1.00 C ATOM 665 C ARG A 41 10.019 -3.194 7.355 1.00 1.00 C ATOM 666 O ARG A 41 9.012 -3.474 8.002 1.00 1.00 O ATOM 667 CB ARG A 41 10.268 -4.837 5.466 1.00 1.00 C ATOM 668 CG ARG A 41 9.120 -5.798 5.830 1.00 1.00 C ATOM 669 CD ARG A 41 9.494 -6.852 6.882 1.00 1.00 C ATOM 670 NE ARG A 41 9.809 -6.270 8.202 1.00 1.00 N ATOM 671 CZ ARG A 41 10.693 -6.776 9.075 1.00 1.00 C ATOM 672 NH1 ARG A 41 11.281 -7.943 8.857 1.00 1.00 N ATOM 673 NH2 ARG A 41 11.043 -6.118 10.171 1.00 1.00 N ATOM 0 H ARG A 41 11.637 -3.005 4.619 1.00 1.00 H new ATOM 0 HA ARG A 41 8.975 -3.088 5.563 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.454 -4.896 4.394 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.179 -5.166 5.966 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.276 -5.215 6.199 1.00 1.00 H new ATOM 0 HG3 ARG A 41 8.785 -6.306 4.926 1.00 1.00 H new ATOM 0 HD2 ARG A 41 8.669 -7.557 6.990 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.354 -7.420 6.528 1.00 1.00 H new ATOM 0 HE ARG A 41 9.317 -5.418 8.471 1.00 1.00 H new ATOM 0 HH11 ARG A 41 11.064 -8.474 8.013 1.00 1.00 H new ATOM 0 HH12 ARG A 41 11.951 -8.311 9.533 1.00 1.00 H new ATOM 0 HH21 ARG A 41 10.638 -5.203 10.368 1.00 1.00 H new ATOM 0 HH22 ARG A 41 11.718 -6.527 10.818 1.00 1.00 H new ATOM 687 N GLY A 42 11.130 -2.783 7.954 1.00 1.00 N ATOM 688 CA GLY A 42 11.165 -2.577 9.396 1.00 1.00 C ATOM 689 C GLY A 42 10.214 -1.453 9.785 1.00 1.00 C ATOM 690 O GLY A 42 9.340 -1.628 10.647 1.00 1.00 O ATOM 0 H GLY A 42 12.007 -2.588 7.471 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.884 -3.496 9.910 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.179 -2.332 9.712 1.00 1.00 H new ATOM 694 N ALA A 43 10.343 -0.332 9.066 1.00 1.00 N ATOM 695 CA ALA A 43 9.470 0.822 9.205 1.00 1.00 C ATOM 696 C ALA A 43 8.028 0.352 9.031 1.00 1.00 C ATOM 697 O ALA A 43 7.199 0.560 9.920 1.00 1.00 O ATOM 698 CB ALA A 43 9.850 1.915 8.199 1.00 1.00 C ATOM 0 H ALA A 43 11.071 -0.207 8.362 1.00 1.00 H new ATOM 0 HA ALA A 43 9.580 1.266 10.194 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.184 2.769 8.321 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.879 2.229 8.375 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.758 1.525 7.185 1.00 1.00 H new ATOM 704 N LEU A 44 7.759 -0.360 7.934 1.00 1.00 N ATOM 705 CA LEU A 44 6.420 -0.834 7.623 1.00 1.00 C ATOM 706 C LEU A 44 5.810 -1.696 8.726 1.00 1.00 C ATOM 707 O LEU A 44 4.657 -1.470 9.060 1.00 1.00 O ATOM 708 CB LEU A 44 6.396 -1.539 6.266 1.00 1.00 C ATOM 709 CG LEU A 44 6.611 -0.586 5.077 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.759 -1.413 3.805 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.449 0.401 4.914 1.00 1.00 C ATOM 0 H LEU A 44 8.463 -0.620 7.243 1.00 1.00 H new ATOM 0 HA LEU A 44 5.782 0.048 7.561 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.169 -2.307 6.251 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.439 -2.047 6.146 1.00 1.00 H new ATOM 0 HG LEU A 44 7.512 -0.003 5.266 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.912 -0.748 2.955 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.615 -2.080 3.903 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.856 -2.002 3.647 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.643 1.054 4.063 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.524 -0.151 4.745 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.353 1.002 5.818 1.00 1.00 H new ATOM 723 N LEU A 45 6.534 -2.653 9.310 1.00 1.00 N ATOM 724 CA LEU A 45 6.015 -3.428 10.451 1.00 1.00 C ATOM 725 C LEU A 45 5.724 -2.539 11.660 1.00 1.00 C ATOM 726 O LEU A 45 4.721 -2.769 12.348 1.00 1.00 O ATOM 727 CB LEU A 45 6.894 -4.639 10.826 1.00 1.00 C ATOM 728 CG LEU A 45 6.701 -5.930 9.995 1.00 1.00 C ATOM 729 CD1 LEU A 45 5.512 -6.734 10.529 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.462 -5.740 8.497 1.00 1.00 C ATOM 0 H LEU A 45 7.476 -2.913 9.018 1.00 1.00 H new ATOM 0 HA LEU A 45 5.066 -3.846 10.114 1.00 1.00 H new ATOM 0 HB2 LEU A 45 7.938 -4.337 10.746 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.711 -4.879 11.873 1.00 1.00 H new ATOM 0 HG LEU A 45 7.656 -6.443 10.106 1.00 1.00 H new ATOM 0 HD11 LEU A 45 5.389 -7.639 9.935 1.00 1.00 H new ATOM 0 HD12 LEU A 45 5.694 -7.005 11.569 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.606 -6.131 10.464 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.341 -6.713 8.021 1.00 1.00 H new ATOM 0 HD22 LEU A 45 5.560 -5.148 8.345 1.00 1.00 H new ATOM 0 HD23 LEU A 45 7.314 -5.223 8.055 1.00 1.00 H new ATOM 742 N SER A 46 6.562 -1.535 11.942 1.00 1.00 N ATOM 743 CA SER A 46 6.249 -0.604 13.016 1.00 1.00 C ATOM 744 C SER A 46 5.035 0.286 12.709 1.00 1.00 C ATOM 745 O SER A 46 4.353 0.725 13.636 1.00 1.00 O ATOM 746 CB SER A 46 7.489 0.198 13.404 1.00 1.00 C ATOM 747 OG SER A 46 8.314 0.577 12.316 1.00 1.00 O ATOM 0 H SER A 46 7.438 -1.354 11.452 1.00 1.00 H new ATOM 0 HA SER A 46 5.949 -1.193 13.882 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.173 1.097 13.933 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.082 -0.391 14.104 1.00 1.00 H new ATOM 0 HG SER A 46 7.755 0.902 11.579 1.00 1.00 H new ATOM 753 N MET A 47 4.730 0.539 11.442 1.00 1.00 N ATOM 754 CA MET A 47 3.592 1.346 11.023 1.00 1.00 C ATOM 755 C MET A 47 2.310 0.505 10.929 1.00 1.00 C ATOM 756 O MET A 47 2.348 -0.673 10.579 1.00 1.00 O ATOM 757 CB MET A 47 3.918 1.925 9.638 1.00 1.00 C ATOM 758 CG MET A 47 5.096 2.915 9.639 1.00 1.00 C ATOM 759 SD MET A 47 5.980 3.042 8.056 1.00 1.00 S ATOM 760 CE MET A 47 4.592 3.421 6.965 1.00 1.00 C ATOM 0 H MET A 47 5.279 0.181 10.661 1.00 1.00 H new ATOM 0 HA MET A 47 3.419 2.133 11.757 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.145 1.105 8.956 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.033 2.428 9.248 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.723 3.902 9.912 1.00 1.00 H new ATOM 0 HG3 MET A 47 5.804 2.616 10.412 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.966 3.656 5.968 1.00 1.00 H new ATOM 0 HE2 MET A 47 3.927 2.559 6.909 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.044 4.277 7.358 1.00 1.00 H new ATOM 770 N ASP A 48 1.163 1.127 11.197 1.00 1.00 N ATOM 771 CA ASP A 48 -0.181 0.564 11.057 1.00 1.00 C ATOM 772 C ASP A 48 -0.768 1.127 9.773 1.00 1.00 C ATOM 773 O ASP A 48 -0.064 1.635 8.896 1.00 1.00 O ATOM 774 CB ASP A 48 -1.105 0.906 12.244 1.00 1.00 C ATOM 775 CG ASP A 48 -1.600 2.353 12.257 1.00 1.00 C ATOM 776 OD1 ASP A 48 -0.746 3.258 12.381 1.00 1.00 O ATOM 777 OD2 ASP A 48 -2.828 2.569 12.113 1.00 1.00 O ATOM 0 H ASP A 48 1.144 2.089 11.536 1.00 1.00 H new ATOM 0 HA ASP A 48 -0.106 -0.523 11.034 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.967 0.239 12.223 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.572 0.708 13.174 1.00 1.00 H new ATOM 782 N ALA A 49 -2.075 0.995 9.632 1.00 1.00 N ATOM 783 CA ALA A 49 -2.821 1.521 8.508 1.00 1.00 C ATOM 784 C ALA A 49 -2.741 3.047 8.415 1.00 1.00 C ATOM 785 O ALA A 49 -2.525 3.559 7.315 1.00 1.00 O ATOM 786 CB ALA A 49 -4.277 1.073 8.665 1.00 1.00 C ATOM 0 H ALA A 49 -2.658 0.508 10.312 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.388 1.136 7.585 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.867 1.454 7.831 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.324 -0.016 8.674 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.678 1.461 9.601 1.00 1.00 H new ATOM 792 N LEU A 50 -2.922 3.778 9.520 1.00 1.00 N ATOM 793 CA LEU A 50 -2.898 5.240 9.497 1.00 1.00 C ATOM 794 C LEU A 50 -1.481 5.724 9.272 1.00 1.00 C ATOM 795 O LEU A 50 -1.261 6.531 8.370 1.00 1.00 O ATOM 796 CB LEU A 50 -3.506 5.837 10.770 1.00 1.00 C ATOM 797 CG LEU A 50 -3.759 7.357 10.625 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.957 7.775 11.478 1.00 1.00 C ATOM 799 CD2 LEU A 50 -2.570 8.207 11.078 1.00 1.00 C ATOM 0 H LEU A 50 -3.087 3.377 10.443 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.518 5.584 8.669 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.445 5.332 10.996 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.837 5.658 11.612 1.00 1.00 H new ATOM 0 HG LEU A 50 -3.935 7.529 9.563 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -5.126 8.846 11.368 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -5.844 7.233 11.150 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.757 7.545 12.524 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.809 9.263 10.952 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.358 8.006 12.128 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.695 7.959 10.477 1.00 1.00 H new ATOM 811 N ASP A 51 -0.526 5.199 10.050 1.00 1.00 N ATOM 812 CA ASP A 51 0.882 5.538 9.869 1.00 1.00 C ATOM 813 C ASP A 51 1.289 5.271 8.431 1.00 1.00 C ATOM 814 O ASP A 51 2.002 6.089 7.855 1.00 1.00 O ATOM 815 CB ASP A 51 1.821 4.791 10.823 1.00 1.00 C ATOM 816 CG ASP A 51 1.948 5.371 12.229 1.00 1.00 C ATOM 817 OD1 ASP A 51 1.458 6.483 12.522 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.694 4.763 13.037 1.00 1.00 O ATOM 0 H ASP A 51 -0.707 4.540 10.807 1.00 1.00 H new ATOM 0 HA ASP A 51 0.981 6.597 10.107 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.477 3.760 10.907 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.813 4.760 10.373 1.00 1.00 H new ATOM 823 N LEU A 52 0.849 4.152 7.835 1.00 1.00 N ATOM 824 CA LEU A 52 1.111 3.909 6.429 1.00 1.00 C ATOM 825 C LEU A 52 0.480 5.011 5.613 1.00 1.00 C ATOM 826 O LEU A 52 1.222 5.658 4.901 1.00 1.00 O ATOM 827 CB LEU A 52 0.616 2.545 5.952 1.00 1.00 C ATOM 828 CG LEU A 52 0.705 2.407 4.405 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.803 1.448 3.952 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.640 1.967 3.845 1.00 1.00 C ATOM 0 H LEU A 52 0.319 3.418 8.305 1.00 1.00 H new ATOM 0 HA LEU A 52 2.192 3.904 6.293 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.207 1.759 6.422 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.416 2.401 6.271 1.00 1.00 H new ATOM 0 HG LEU A 52 0.968 3.390 4.014 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.814 1.395 2.863 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.769 1.807 4.307 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.611 0.456 4.361 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.570 1.873 2.761 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.916 1.005 4.276 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.399 2.708 4.096 1.00 1.00 H new ATOM 842 N THR A 53 -0.832 5.198 5.655 1.00 1.00 N ATOM 843 CA THR A 53 -1.530 6.155 4.818 1.00 1.00 C ATOM 844 C THR A 53 -0.822 7.506 4.792 1.00 1.00 C ATOM 845 O THR A 53 -0.486 7.985 3.707 1.00 1.00 O ATOM 846 CB THR A 53 -2.993 6.235 5.280 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.571 4.944 5.236 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.823 7.156 4.390 1.00 1.00 C ATOM 0 H THR A 53 -1.447 4.680 6.282 1.00 1.00 H new ATOM 0 HA THR A 53 -1.522 5.820 3.781 1.00 1.00 H new ATOM 0 HB THR A 53 -2.993 6.635 6.294 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.346 4.457 6.056 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.851 7.183 4.753 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.403 8.161 4.415 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.809 6.782 3.366 1.00 1.00 H new ATOM 856 N ASP A 54 -0.523 8.081 5.955 1.00 1.00 N ATOM 857 CA ASP A 54 0.240 9.328 6.013 1.00 1.00 C ATOM 858 C ASP A 54 1.641 9.194 5.428 1.00 1.00 C ATOM 859 O ASP A 54 2.040 10.038 4.615 1.00 1.00 O ATOM 860 CB ASP A 54 0.272 9.939 7.418 1.00 1.00 C ATOM 861 CG ASP A 54 -0.994 10.737 7.713 1.00 1.00 C ATOM 862 OD1 ASP A 54 -1.109 11.869 7.179 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.828 10.292 8.527 1.00 1.00 O ATOM 0 H ASP A 54 -0.795 7.707 6.864 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.301 10.028 5.376 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.383 9.146 8.158 1.00 1.00 H new ATOM 0 HB3 ASP A 54 1.142 10.588 7.513 1.00 1.00 H new ATOM 868 N LYS A 55 2.401 8.166 5.822 1.00 1.00 N ATOM 869 CA LYS A 55 3.750 7.935 5.311 1.00 1.00 C ATOM 870 C LYS A 55 3.705 7.831 3.794 1.00 1.00 C ATOM 871 O LYS A 55 4.255 8.685 3.117 1.00 1.00 O ATOM 872 CB LYS A 55 4.376 6.671 5.930 1.00 1.00 C ATOM 873 CG LYS A 55 5.871 6.504 5.586 1.00 1.00 C ATOM 874 CD LYS A 55 6.819 6.553 6.797 1.00 1.00 C ATOM 875 CE LYS A 55 7.007 7.961 7.374 1.00 1.00 C ATOM 876 NZ LYS A 55 5.861 8.405 8.188 1.00 1.00 N ATOM 0 H LYS A 55 2.095 7.473 6.504 1.00 1.00 H new ATOM 0 HA LYS A 55 4.380 8.778 5.594 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.261 6.709 7.013 1.00 1.00 H new ATOM 0 HB3 LYS A 55 3.829 5.795 5.582 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.008 5.552 5.073 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.158 7.288 4.885 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.431 5.898 7.578 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.791 6.157 6.503 1.00 1.00 H new ATOM 0 HE2 LYS A 55 7.909 7.980 7.985 1.00 1.00 H new ATOM 0 HE3 LYS A 55 7.160 8.666 6.557 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 6.192 9.056 8.928 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 5.172 8.893 7.581 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 5.409 7.580 8.630 1.00 1.00 H new ATOM 890 N LEU A 56 3.054 6.797 3.272 1.00 1.00 N ATOM 891 CA LEU A 56 2.922 6.377 1.887 1.00 1.00 C ATOM 892 C LEU A 56 2.456 7.552 1.026 1.00 1.00 C ATOM 893 O LEU A 56 3.035 7.777 -0.033 1.00 1.00 O ATOM 894 CB LEU A 56 2.011 5.124 1.928 1.00 1.00 C ATOM 895 CG LEU A 56 1.418 4.449 0.683 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.288 5.295 0.115 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.419 4.039 -0.396 1.00 1.00 C ATOM 0 H LEU A 56 2.547 6.160 3.886 1.00 1.00 H new ATOM 0 HA LEU A 56 3.855 6.088 1.403 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.578 4.353 2.450 1.00 1.00 H new ATOM 0 HB3 LEU A 56 1.165 5.384 2.564 1.00 1.00 H new ATOM 0 HG LEU A 56 1.026 3.495 1.035 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -0.124 4.806 -0.768 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.494 5.409 0.866 1.00 1.00 H new ATOM 0 HD13 LEU A 56 0.672 6.277 -0.161 1.00 1.00 H new ATOM 0 HD21 LEU A 56 1.888 3.573 -1.226 1.00 1.00 H new ATOM 0 HD22 LEU A 56 2.950 4.921 -0.754 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.134 3.330 0.021 1.00 1.00 H new ATOM 909 N VAL A 57 1.489 8.354 1.470 1.00 1.00 N ATOM 910 CA VAL A 57 1.058 9.516 0.700 1.00 1.00 C ATOM 911 C VAL A 57 2.144 10.601 0.662 1.00 1.00 C ATOM 912 O VAL A 57 2.446 11.093 -0.425 1.00 1.00 O ATOM 913 CB VAL A 57 -0.321 9.971 1.214 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.731 11.376 0.773 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.360 8.951 0.709 1.00 1.00 C ATOM 0 H VAL A 57 0.994 8.221 2.352 1.00 1.00 H new ATOM 0 HA VAL A 57 0.923 9.258 -0.350 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.267 10.015 2.302 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.714 11.613 1.180 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.003 12.099 1.139 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -0.769 11.419 -0.315 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.352 9.241 1.054 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.347 8.928 -0.381 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.116 7.961 1.096 1.00 1.00 H new ATOM 925 N SER A 58 2.747 10.996 1.788 1.00 1.00 N ATOM 926 CA SER A 58 3.778 12.045 1.797 1.00 1.00 C ATOM 927 C SER A 58 5.069 11.580 1.102 1.00 1.00 C ATOM 928 O SER A 58 5.779 12.357 0.459 1.00 1.00 O ATOM 929 CB SER A 58 4.037 12.427 3.258 1.00 1.00 C ATOM 930 OG SER A 58 4.989 13.460 3.396 1.00 1.00 O ATOM 0 H SER A 58 2.540 10.606 2.707 1.00 1.00 H new ATOM 0 HA SER A 58 3.430 12.912 1.236 1.00 1.00 H new ATOM 0 HB2 SER A 58 3.100 12.740 3.718 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.381 11.548 3.802 1.00 1.00 H new ATOM 0 HG SER A 58 5.114 13.664 4.346 1.00 1.00 H new ATOM 936 N PHE A 59 5.389 10.298 1.240 1.00 1.00 N ATOM 937 CA PHE A 59 6.576 9.648 0.719 1.00 1.00 C ATOM 938 C PHE A 59 6.495 9.517 -0.804 1.00 1.00 C ATOM 939 O PHE A 59 7.533 9.367 -1.448 1.00 1.00 O ATOM 940 CB PHE A 59 6.693 8.295 1.430 1.00 1.00 C ATOM 941 CG PHE A 59 8.008 7.567 1.323 1.00 1.00 C ATOM 942 CD1 PHE A 59 8.290 6.827 0.170 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.909 7.553 2.405 1.00 1.00 C ATOM 944 CE1 PHE A 59 9.453 6.053 0.098 1.00 1.00 C ATOM 945 CE2 PHE A 59 10.091 6.796 2.319 1.00 1.00 C ATOM 946 CZ PHE A 59 10.361 6.039 1.169 1.00 1.00 C ATOM 0 H PHE A 59 4.788 9.650 1.750 1.00 1.00 H new ATOM 0 HA PHE A 59 7.474 10.235 0.913 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.479 8.451 2.487 1.00 1.00 H new ATOM 0 HB3 PHE A 59 5.913 7.641 1.040 1.00 1.00 H new ATOM 0 HD1 PHE A 59 7.608 6.853 -0.667 1.00 1.00 H new ATOM 0 HD2 PHE A 59 8.693 8.121 3.298 1.00 1.00 H new ATOM 0 HE1 PHE A 59 9.653 5.464 -0.785 1.00 1.00 H new ATOM 0 HE2 PHE A 59 10.793 6.797 3.140 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.263 5.448 1.108 1.00 1.00 H new ATOM 956 N TYR A 60 5.295 9.590 -1.388 1.00 1.00 N ATOM 957 CA TYR A 60 5.127 9.592 -2.830 1.00 1.00 C ATOM 958 C TYR A 60 4.251 10.781 -3.208 1.00 1.00 C ATOM 959 O TYR A 60 4.759 11.898 -3.260 1.00 1.00 O ATOM 960 CB TYR A 60 4.547 8.247 -3.293 1.00 1.00 C ATOM 961 CG TYR A 60 5.454 7.060 -3.056 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.537 6.822 -3.914 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.219 6.198 -1.972 1.00 1.00 C ATOM 964 CE1 TYR A 60 7.377 5.723 -3.681 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.040 5.083 -1.743 1.00 1.00 C ATOM 966 CZ TYR A 60 7.123 4.841 -2.608 1.00 1.00 C ATOM 967 OH TYR A 60 7.933 3.773 -2.395 1.00 1.00 O ATOM 0 H TYR A 60 4.419 9.649 -0.869 1.00 1.00 H new ATOM 0 HA TYR A 60 6.085 9.703 -3.338 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.602 8.076 -2.777 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.322 8.310 -4.358 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.723 7.481 -4.749 1.00 1.00 H new ATOM 0 HD2 TYR A 60 4.394 6.396 -1.304 1.00 1.00 H new ATOM 0 HE1 TYR A 60 8.225 5.550 -4.327 1.00 1.00 H new ATOM 0 HE2 TYR A 60 5.843 4.420 -0.914 1.00 1.00 H new ATOM 0 HH TYR A 60 8.755 3.877 -2.918 1.00 1.00 H new ATOM 977 N LEU A 61 2.950 10.562 -3.388 1.00 1.00 N ATOM 978 CA LEU A 61 1.889 11.503 -3.721 1.00 1.00 C ATOM 979 C LEU A 61 0.588 10.834 -3.265 1.00 1.00 C ATOM 980 O LEU A 61 0.582 9.633 -2.990 1.00 1.00 O ATOM 981 CB LEU A 61 1.756 11.750 -5.237 1.00 1.00 C ATOM 982 CG LEU A 61 2.804 12.557 -6.026 1.00 1.00 C ATOM 983 CD1 LEU A 61 3.203 13.877 -5.356 1.00 1.00 C ATOM 984 CD2 LEU A 61 4.017 11.742 -6.498 1.00 1.00 C ATOM 0 H LEU A 61 2.576 9.618 -3.293 1.00 1.00 H new ATOM 0 HA LEU A 61 2.104 12.460 -3.246 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.691 10.771 -5.711 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.797 12.243 -5.392 1.00 1.00 H new ATOM 0 HG LEU A 61 2.278 12.833 -6.940 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.944 14.388 -5.971 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.323 14.510 -5.247 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.626 13.672 -4.373 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.701 12.391 -7.044 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.530 11.319 -5.634 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.682 10.936 -7.151 1.00 1.00 H new ATOM 996 N GLU A 62 -0.533 11.558 -3.265 1.00 1.00 N ATOM 997 CA GLU A 62 -1.837 10.974 -2.960 1.00 1.00 C ATOM 998 C GLU A 62 -2.177 9.916 -4.017 1.00 1.00 C ATOM 999 O GLU A 62 -2.427 8.755 -3.691 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.956 12.037 -2.928 1.00 1.00 C ATOM 1001 CG GLU A 62 -3.082 12.850 -1.632 1.00 1.00 C ATOM 1002 CD GLU A 62 -2.185 14.089 -1.570 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -0.949 13.968 -1.408 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -2.727 15.214 -1.652 1.00 1.00 O ATOM 0 H GLU A 62 -0.561 12.556 -3.474 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.776 10.524 -1.969 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.793 12.731 -3.753 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -3.907 11.539 -3.114 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -4.120 13.162 -1.513 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -2.845 12.203 -0.788 1.00 1.00 H new ATOM 1011 N THR A 63 -2.154 10.311 -5.291 1.00 1.00 N ATOM 1012 CA THR A 63 -2.570 9.457 -6.394 1.00 1.00 C ATOM 1013 C THR A 63 -1.561 8.320 -6.601 1.00 1.00 C ATOM 1014 O THR A 63 -1.969 7.158 -6.638 1.00 1.00 O ATOM 1015 CB THR A 63 -2.768 10.325 -7.651 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.355 11.580 -7.315 1.00 1.00 O ATOM 1017 CG2 THR A 63 -3.729 9.661 -8.636 1.00 1.00 C ATOM 0 H THR A 63 -1.844 11.238 -5.583 1.00 1.00 H new ATOM 0 HA THR A 63 -3.523 8.979 -6.168 1.00 1.00 H new ATOM 0 HB THR A 63 -1.779 10.453 -8.092 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.470 12.115 -8.128 1.00 1.00 H new ATOM 0 HG21 THR A 63 -3.849 10.297 -9.513 1.00 1.00 H new ATOM 0 HG22 THR A 63 -3.327 8.695 -8.941 1.00 1.00 H new ATOM 0 HG23 THR A 63 -4.698 9.516 -8.158 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.255 8.626 -6.672 1.00 1.00 N ATOM 1026 CA TYR A 64 0.770 7.590 -6.813 1.00 1.00 C ATOM 1027 C TYR A 64 0.740 6.646 -5.614 1.00 1.00 C ATOM 1028 O TYR A 64 0.912 5.448 -5.790 1.00 1.00 O ATOM 1029 CB TYR A 64 2.183 8.178 -6.980 1.00 1.00 C ATOM 1030 CG TYR A 64 3.213 7.148 -7.430 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.923 6.356 -6.501 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.424 6.940 -8.805 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.815 5.364 -6.946 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.285 5.927 -9.258 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.988 5.130 -8.328 1.00 1.00 C ATOM 1036 OH TYR A 64 5.815 4.141 -8.763 1.00 1.00 O ATOM 0 H TYR A 64 0.110 9.578 -6.634 1.00 1.00 H new ATOM 0 HA TYR A 64 0.537 7.036 -7.722 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.148 8.989 -7.707 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.503 8.612 -6.033 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.780 6.513 -5.442 1.00 1.00 H new ATOM 0 HD2 TYR A 64 2.917 7.568 -9.522 1.00 1.00 H new ATOM 0 HE1 TYR A 64 5.370 4.779 -6.228 1.00 1.00 H new ATOM 0 HE2 TYR A 64 4.409 5.758 -10.317 1.00 1.00 H new ATOM 0 HH TYR A 64 5.487 3.793 -9.619 1.00 1.00 H new ATOM 1046 N GLY A 65 0.497 7.158 -4.405 1.00 1.00 N ATOM 1047 CA GLY A 65 0.422 6.361 -3.196 1.00 1.00 C ATOM 1048 C GLY A 65 -0.701 5.331 -3.285 1.00 1.00 C ATOM 1049 O GLY A 65 -0.484 4.146 -3.022 1.00 1.00 O ATOM 0 H GLY A 65 0.346 8.154 -4.245 1.00 1.00 H new ATOM 0 HA2 GLY A 65 1.373 5.854 -3.032 1.00 1.00 H new ATOM 0 HA3 GLY A 65 0.255 7.012 -2.338 1.00 1.00 H new ATOM 1053 N ALA A 66 -1.907 5.756 -3.667 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.023 4.830 -3.818 1.00 1.00 C ATOM 1055 C ALA A 66 -2.804 3.864 -4.986 1.00 1.00 C ATOM 1056 O ALA A 66 -3.248 2.715 -4.926 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.325 5.611 -3.982 1.00 1.00 C ATOM 0 H ALA A 66 -2.132 6.729 -3.875 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.089 4.223 -2.915 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.156 4.914 -4.094 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.490 6.233 -3.102 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.260 6.244 -4.867 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.131 4.308 -6.049 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.824 3.476 -7.209 1.00 1.00 C ATOM 1065 C GLU A 67 -0.836 2.382 -6.804 1.00 1.00 C ATOM 1066 O GLU A 67 -1.044 1.214 -7.135 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.273 4.326 -8.362 1.00 1.00 C ATOM 1068 CG GLU A 67 -1.259 3.497 -9.654 1.00 1.00 C ATOM 1069 CD GLU A 67 -0.595 4.247 -10.799 1.00 1.00 C ATOM 1070 OE1 GLU A 67 -1.150 5.269 -11.262 1.00 1.00 O ATOM 1071 OE2 GLU A 67 0.511 3.846 -11.215 1.00 1.00 O ATOM 0 H GLU A 67 -1.782 5.263 -6.128 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.741 3.006 -7.564 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.887 5.216 -8.496 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.265 4.667 -8.126 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -0.731 2.560 -9.479 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -2.281 3.240 -9.932 1.00 1.00 H new ATOM 1078 N LEU A 68 0.216 2.770 -6.076 1.00 1.00 N ATOM 1079 CA LEU A 68 1.229 1.910 -5.479 1.00 1.00 C ATOM 1080 C LEU A 68 0.503 0.879 -4.636 1.00 1.00 C ATOM 1081 O LEU A 68 0.719 -0.311 -4.820 1.00 1.00 O ATOM 1082 CB LEU A 68 2.212 2.770 -4.660 1.00 1.00 C ATOM 1083 CG LEU A 68 3.235 1.984 -3.821 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.306 2.944 -3.300 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.618 1.315 -2.591 1.00 1.00 C ATOM 0 H LEU A 68 0.389 3.756 -5.879 1.00 1.00 H new ATOM 0 HA LEU A 68 1.824 1.390 -6.230 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.754 3.423 -5.344 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.637 3.413 -3.993 1.00 1.00 H new ATOM 0 HG LEU A 68 3.639 1.214 -4.479 1.00 1.00 H new ATOM 0 HD11 LEU A 68 5.032 2.390 -2.705 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.811 3.417 -4.142 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.838 3.710 -2.681 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.392 0.777 -2.043 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.178 2.075 -1.946 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.844 0.615 -2.907 1.00 1.00 H new ATOM 1097 N THR A 69 -0.360 1.328 -3.728 1.00 1.00 N ATOM 1098 CA THR A 69 -1.089 0.457 -2.824 1.00 1.00 C ATOM 1099 C THR A 69 -1.828 -0.598 -3.656 1.00 1.00 C ATOM 1100 O THR A 69 -1.575 -1.787 -3.474 1.00 1.00 O ATOM 1101 CB THR A 69 -1.981 1.310 -1.905 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.182 2.239 -1.205 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.742 0.499 -0.858 1.00 1.00 C ATOM 0 H THR A 69 -0.572 2.318 -3.602 1.00 1.00 H new ATOM 0 HA THR A 69 -0.429 -0.093 -2.154 1.00 1.00 H new ATOM 0 HB THR A 69 -2.708 1.789 -2.561 1.00 1.00 H new ATOM 0 HG1 THR A 69 -0.952 2.985 -1.798 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.348 1.169 -0.249 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.389 -0.223 -1.357 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.033 -0.029 -0.221 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.652 -0.193 -4.631 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.367 -1.128 -5.494 1.00 1.00 C ATOM 1113 C ALA A 70 -2.407 -2.057 -6.257 1.00 1.00 C ATOM 1114 O ALA A 70 -2.762 -3.206 -6.496 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.207 -0.340 -6.515 1.00 1.00 C ATOM 0 H ALA A 70 -2.838 0.788 -4.839 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.004 -1.743 -4.858 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.742 -1.036 -7.161 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -4.924 0.290 -5.988 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.551 0.285 -7.120 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.214 -1.591 -6.651 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.232 -2.383 -7.396 1.00 1.00 C ATOM 1123 C ASN A 71 0.332 -3.505 -6.550 1.00 1.00 C ATOM 1124 O ASN A 71 0.347 -4.660 -6.964 1.00 1.00 O ATOM 1125 CB ASN A 71 0.976 -1.550 -7.833 1.00 1.00 C ATOM 1126 CG ASN A 71 1.904 -2.410 -8.687 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.478 -3.083 -9.621 1.00 1.00 O ATOM 1128 ND2 ASN A 71 3.177 -2.477 -8.350 1.00 1.00 N ATOM 0 H ASN A 71 -0.902 -0.639 -6.457 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.776 -2.763 -8.261 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.645 -0.680 -8.400 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.510 -1.177 -6.959 1.00 1.00 H new ATOM 0 HD21 ASN A 71 3.810 -3.089 -8.866 1.00 1.00 H new ATOM 0 HD22 ASN A 71 3.529 -1.917 -7.574 1.00 1.00 H new ATOM 1135 N VAL A 72 0.856 -3.134 -5.390 1.00 1.00 N ATOM 1136 CA VAL A 72 1.405 -4.061 -4.401 1.00 1.00 C ATOM 1137 C VAL A 72 0.334 -5.104 -4.052 1.00 1.00 C ATOM 1138 O VAL A 72 0.607 -6.303 -4.053 1.00 1.00 O ATOM 1139 CB VAL A 72 1.883 -3.287 -3.158 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.436 -4.237 -2.090 1.00 1.00 C ATOM 1141 CG2 VAL A 72 2.995 -2.272 -3.454 1.00 1.00 C ATOM 0 H VAL A 72 0.914 -2.158 -5.100 1.00 1.00 H new ATOM 0 HA VAL A 72 2.272 -4.581 -4.808 1.00 1.00 H new ATOM 0 HB VAL A 72 0.995 -2.759 -2.811 1.00 1.00 H new ATOM 0 HG11 VAL A 72 2.765 -3.660 -1.225 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.656 -4.935 -1.785 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.280 -4.792 -2.499 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.280 -1.766 -2.532 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.861 -2.791 -3.866 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.635 -1.538 -4.175 1.00 1.00 H new ATOM 1151 N LEU A 73 -0.895 -4.652 -3.801 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.053 -5.501 -3.552 1.00 1.00 C ATOM 1153 C LEU A 73 -2.253 -6.454 -4.747 1.00 1.00 C ATOM 1154 O LEU A 73 -2.317 -7.672 -4.580 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.246 -4.571 -3.240 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.166 -3.883 -1.851 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.278 -2.834 -1.737 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.215 -4.770 -0.603 1.00 1.00 C ATOM 0 H LEU A 73 -1.115 -3.657 -3.765 1.00 1.00 H new ATOM 0 HA LEU A 73 -1.928 -6.157 -2.690 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.306 -3.803 -4.011 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.168 -5.150 -3.294 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.160 -3.463 -1.844 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.223 -2.350 -0.762 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.155 -2.086 -2.521 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.248 -3.319 -1.847 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.149 -4.147 0.289 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.152 -5.326 -0.589 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.379 -5.469 -0.620 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.253 -5.941 -5.979 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.323 -6.768 -7.189 1.00 1.00 C ATOM 1172 C ARG A 74 -1.130 -7.725 -7.303 1.00 1.00 C ATOM 1173 O ARG A 74 -1.275 -8.791 -7.905 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.495 -5.872 -8.433 1.00 1.00 C ATOM 1175 CG ARG A 74 -3.020 -6.644 -9.655 1.00 1.00 C ATOM 1176 CD ARG A 74 -2.915 -5.849 -10.964 1.00 1.00 C ATOM 1177 NE ARG A 74 -3.652 -4.571 -10.937 1.00 1.00 N ATOM 1178 CZ ARG A 74 -3.427 -3.530 -11.753 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -2.524 -3.610 -12.722 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -4.107 -2.400 -11.611 1.00 1.00 N ATOM 0 H ARG A 74 -2.204 -4.940 -6.168 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.202 -7.409 -7.120 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.184 -5.060 -8.198 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.537 -5.415 -8.682 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -2.461 -7.574 -9.757 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -4.062 -6.915 -9.485 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -1.865 -5.649 -11.175 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -3.294 -6.461 -11.783 1.00 1.00 H new ATOM 0 HE ARG A 74 -4.392 -4.471 -10.242 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -1.992 -4.470 -12.853 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -2.362 -2.811 -13.336 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -4.809 -2.316 -10.876 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -3.928 -1.615 -12.237 1.00 1.00 H new ATOM 1194 N ASP A 75 0.054 -7.410 -6.765 1.00 1.00 N ATOM 1195 CA ASP A 75 1.190 -8.334 -6.756 1.00 1.00 C ATOM 1196 C ASP A 75 0.859 -9.490 -5.821 1.00 1.00 C ATOM 1197 O ASP A 75 1.072 -10.645 -6.189 1.00 1.00 O ATOM 1198 CB ASP A 75 2.510 -7.657 -6.376 1.00 1.00 C ATOM 1199 CG ASP A 75 3.690 -8.623 -6.544 1.00 1.00 C ATOM 1200 OD1 ASP A 75 4.259 -8.689 -7.659 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.076 -9.321 -5.578 1.00 1.00 O ATOM 0 H ASP A 75 0.250 -6.510 -6.326 1.00 1.00 H new ATOM 0 HA ASP A 75 1.345 -8.706 -7.769 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.664 -6.776 -7.000 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.462 -7.312 -5.343 1.00 1.00 H new ATOM 1206 N MET A 76 0.239 -9.216 -4.666 1.00 1.00 N ATOM 1207 CA MET A 76 -0.236 -10.240 -3.730 1.00 1.00 C ATOM 1208 C MET A 76 -1.298 -11.145 -4.358 1.00 1.00 C ATOM 1209 O MET A 76 -1.449 -12.289 -3.930 1.00 1.00 O ATOM 1210 CB MET A 76 -0.790 -9.607 -2.438 1.00 1.00 C ATOM 1211 CG MET A 76 0.287 -8.860 -1.654 1.00 1.00 C ATOM 1212 SD MET A 76 -0.333 -7.711 -0.407 1.00 1.00 S ATOM 1213 CE MET A 76 -0.871 -8.871 0.879 1.00 1.00 C ATOM 0 H MET A 76 0.051 -8.264 -4.352 1.00 1.00 H new ATOM 0 HA MET A 76 0.629 -10.854 -3.480 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.597 -8.919 -2.690 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.220 -10.386 -1.809 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.931 -9.591 -1.164 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.909 -8.307 -2.358 1.00 1.00 H new ATOM 0 HE1 MET A 76 -1.660 -8.413 1.476 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.251 -9.780 0.413 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.027 -9.118 1.522 1.00 1.00 H new ATOM 1223 N GLY A 77 -1.986 -10.663 -5.390 1.00 1.00 N ATOM 1224 CA GLY A 77 -3.040 -11.360 -6.124 1.00 1.00 C ATOM 1225 C GLY A 77 -4.435 -10.822 -5.803 1.00 1.00 C ATOM 1226 O GLY A 77 -5.426 -11.304 -6.349 1.00 1.00 O ATOM 0 H GLY A 77 -1.815 -9.727 -5.756 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -2.856 -11.266 -7.194 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -3.001 -12.423 -5.886 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.524 -9.817 -4.939 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.740 -9.119 -4.571 1.00 1.00 C ATOM 1232 C LEU A 78 -6.127 -8.225 -5.742 1.00 1.00 C ATOM 1233 O LEU A 78 -5.314 -7.429 -6.204 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.417 -8.326 -3.304 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.518 -7.409 -2.756 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -5.999 -6.902 -1.421 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -6.804 -6.199 -3.652 1.00 1.00 C ATOM 0 H LEU A 78 -3.704 -9.452 -4.454 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.582 -9.779 -4.366 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.145 -9.034 -2.521 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.536 -7.716 -3.502 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.450 -7.970 -2.688 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.738 -6.238 -0.972 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.818 -7.747 -0.756 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.068 -6.356 -1.576 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.592 -5.593 -3.205 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -5.899 -5.599 -3.753 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.124 -6.542 -4.636 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.356 -8.344 -6.234 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.825 -7.581 -7.392 1.00 1.00 C ATOM 1251 C GLN A 79 -9.051 -6.730 -7.052 1.00 1.00 C ATOM 1252 O GLN A 79 -9.184 -5.605 -7.526 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.077 -8.541 -8.564 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.932 -9.764 -8.192 1.00 1.00 C ATOM 1255 CD GLN A 79 -9.309 -10.643 -9.377 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -8.766 -10.539 -10.474 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -10.260 -11.540 -9.176 1.00 1.00 N ATOM 0 H GLN A 79 -8.058 -8.972 -5.843 1.00 1.00 H new ATOM 0 HA GLN A 79 -7.052 -6.873 -7.692 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.570 -7.996 -9.368 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.118 -8.884 -8.953 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.388 -10.367 -7.465 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -9.844 -9.421 -7.703 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -10.703 -11.617 -8.261 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -10.550 -12.155 -9.936 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.927 -7.249 -6.197 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.196 -6.667 -5.807 1.00 1.00 C ATOM 1268 C GLU A 80 -10.965 -5.322 -5.108 1.00 1.00 C ATOM 1269 O GLU A 80 -11.300 -4.280 -5.677 1.00 1.00 O ATOM 1270 CB GLU A 80 -12.030 -7.705 -5.026 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.433 -8.376 -3.766 1.00 1.00 C ATOM 1272 CD GLU A 80 -10.229 -9.310 -3.985 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -9.961 -9.771 -5.120 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -9.496 -9.588 -3.009 1.00 1.00 O ATOM 0 H GLU A 80 -9.754 -8.141 -5.733 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.806 -6.420 -6.676 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.958 -7.218 -4.727 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.297 -8.500 -5.723 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -11.133 -7.591 -3.072 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -12.223 -8.947 -3.278 1.00 1.00 H new ATOM 1281 N MET A 81 -10.330 -5.328 -3.933 1.00 1.00 N ATOM 1282 CA MET A 81 -9.935 -4.133 -3.187 1.00 1.00 C ATOM 1283 C MET A 81 -9.051 -3.238 -4.049 1.00 1.00 C ATOM 1284 O MET A 81 -9.266 -2.043 -3.997 1.00 1.00 O ATOM 1285 CB MET A 81 -9.346 -4.545 -1.823 1.00 1.00 C ATOM 1286 CG MET A 81 -8.459 -3.482 -1.164 1.00 1.00 C ATOM 1287 SD MET A 81 -7.618 -3.994 0.357 1.00 1.00 S ATOM 1288 CE MET A 81 -9.013 -4.443 1.421 1.00 1.00 C ATOM 0 H MET A 81 -10.069 -6.193 -3.461 1.00 1.00 H new ATOM 0 HA MET A 81 -10.799 -3.512 -2.949 1.00 1.00 H new ATOM 0 HB2 MET A 81 -10.165 -4.786 -1.146 1.00 1.00 H new ATOM 0 HB3 MET A 81 -8.762 -5.456 -1.954 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.705 -3.166 -1.885 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.073 -2.609 -0.942 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.652 -4.640 2.431 1.00 1.00 H new ATOM 0 HE2 MET A 81 -9.731 -3.623 1.445 1.00 1.00 H new ATOM 0 HE3 MET A 81 -9.497 -5.337 1.028 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.138 -3.741 -4.887 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.327 -2.897 -5.768 1.00 1.00 C ATOM 1300 C ALA A 82 -8.220 -2.057 -6.694 1.00 1.00 C ATOM 1301 O ALA A 82 -8.008 -0.850 -6.840 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.336 -3.757 -6.564 1.00 1.00 C ATOM 0 H ALA A 82 -7.942 -4.738 -4.973 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.751 -2.203 -5.156 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.740 -3.117 -7.215 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.679 -4.287 -5.875 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -6.885 -4.479 -7.169 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.247 -2.674 -7.280 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.226 -1.989 -8.106 1.00 1.00 C ATOM 1310 C GLY A 83 -11.029 -0.968 -7.301 1.00 1.00 C ATOM 1311 O GLY A 83 -11.181 0.172 -7.747 1.00 1.00 O ATOM 0 H GLY A 83 -9.419 -3.675 -7.190 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.719 -1.486 -8.929 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -10.904 -2.719 -8.548 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.539 -1.344 -6.122 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.328 -0.439 -5.282 1.00 1.00 C ATOM 1317 C GLN A 84 -11.479 0.730 -4.779 1.00 1.00 C ATOM 1318 O GLN A 84 -11.953 1.855 -4.700 1.00 1.00 O ATOM 1319 CB GLN A 84 -12.935 -1.174 -4.079 1.00 1.00 C ATOM 1320 CG GLN A 84 -13.861 -2.317 -4.501 1.00 1.00 C ATOM 1321 CD GLN A 84 -14.707 -2.804 -3.337 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -14.247 -3.577 -2.507 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -15.961 -2.391 -3.271 1.00 1.00 N ATOM 0 H GLN A 84 -11.417 -2.277 -5.727 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.135 -0.055 -5.906 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.133 -1.571 -3.456 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.493 -0.465 -3.467 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -14.511 -1.981 -5.309 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -13.267 -3.143 -4.892 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -16.323 -1.747 -3.974 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.566 -2.717 -2.517 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.217 0.470 -4.461 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.231 1.413 -3.967 1.00 1.00 C ATOM 1334 C LEU A 85 -8.987 2.491 -5.014 1.00 1.00 C ATOM 1335 O LEU A 85 -9.064 3.685 -4.706 1.00 1.00 O ATOM 1336 CB LEU A 85 -7.958 0.609 -3.666 1.00 1.00 C ATOM 1337 CG LEU A 85 -6.808 1.403 -3.066 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.163 1.765 -1.637 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.575 0.509 -2.994 1.00 1.00 C ATOM 0 H LEU A 85 -9.833 -0.471 -4.549 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.568 1.919 -3.062 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.214 -0.200 -2.982 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.614 0.147 -4.591 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.623 2.289 -3.673 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.347 2.335 -1.193 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.072 2.366 -1.629 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.325 0.854 -1.060 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.744 1.069 -2.565 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.790 -0.358 -2.369 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.308 0.175 -3.997 1.00 1.00 H new ATOM 1351 N GLN A 86 -8.725 2.064 -6.254 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.578 2.976 -7.375 1.00 1.00 C ATOM 1353 C GLN A 86 -9.864 3.793 -7.520 1.00 1.00 C ATOM 1354 O GLN A 86 -9.789 5.012 -7.605 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.236 2.189 -8.652 1.00 1.00 C ATOM 1356 CG GLN A 86 -7.788 3.093 -9.815 1.00 1.00 C ATOM 1357 CD GLN A 86 -6.417 3.726 -9.578 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -5.470 3.050 -9.168 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -6.254 5.015 -9.813 1.00 1.00 N ATOM 0 H GLN A 86 -8.611 1.081 -6.500 1.00 1.00 H new ATOM 0 HA GLN A 86 -7.755 3.669 -7.200 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.444 1.473 -8.430 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.108 1.613 -8.962 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -7.759 2.508 -10.734 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -8.527 3.881 -9.962 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -7.037 5.575 -10.152 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -5.346 5.451 -9.656 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.035 3.148 -7.493 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.323 3.807 -7.668 1.00 1.00 C ATOM 1370 C ALA A 87 -12.606 4.854 -6.586 1.00 1.00 C ATOM 1371 O ALA A 87 -13.131 5.935 -6.873 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.433 2.756 -7.676 1.00 1.00 C ATOM 0 H ALA A 87 -11.110 2.141 -7.347 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.292 4.336 -8.620 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.398 3.247 -7.807 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.267 2.058 -8.496 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.427 2.213 -6.731 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.319 4.531 -5.327 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.515 5.421 -4.197 1.00 1.00 C ATOM 1380 C ALA A 88 -11.522 6.582 -4.259 1.00 1.00 C ATOM 1381 O ALA A 88 -11.852 7.682 -3.815 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.370 4.633 -2.895 1.00 1.00 C ATOM 0 H ALA A 88 -11.936 3.623 -5.064 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.519 5.843 -4.234 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.517 5.302 -2.047 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -13.116 3.839 -2.865 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.373 4.196 -2.843 1.00 1.00 H new ATOM 1388 N THR A 89 -10.334 6.371 -4.835 1.00 1.00 N ATOM 1389 CA THR A 89 -9.367 7.444 -5.020 1.00 1.00 C ATOM 1390 C THR A 89 -9.667 8.292 -6.257 1.00 1.00 C ATOM 1391 O THR A 89 -9.373 9.488 -6.266 1.00 1.00 O ATOM 1392 CB THR A 89 -7.930 6.889 -4.993 1.00 1.00 C ATOM 1393 OG1 THR A 89 -7.785 6.031 -3.877 1.00 1.00 O ATOM 1394 CG2 THR A 89 -6.914 8.035 -4.855 1.00 1.00 C ATOM 0 H THR A 89 -10.024 5.463 -5.180 1.00 1.00 H new ATOM 0 HA THR A 89 -9.459 8.131 -4.179 1.00 1.00 H new ATOM 0 HB THR A 89 -7.747 6.350 -5.923 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.209 5.169 -4.070 1.00 1.00 H new ATOM 0 HG21 THR A 89 -5.904 7.626 -4.837 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.015 8.715 -5.701 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.102 8.578 -3.929 1.00 1.00 H new