USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 640 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 67 SER OG : rot -135:sc= -0.831 USER MOD Set 1.2: A 68 ASN : amide:sc= 0.0902 K(o=0.095,f=-1) USER MOD Set 1.3: A 73 LYS NZ :NH3+ -152:sc= 0.836 (180deg=-0.19) USER MOD Set 2.1: A 33 CYS SG : rot -2:sc= -4.81! USER MOD Set 2.2: A 49 LYS NZ :NH3+ 128:sc= 1.23 (180deg=0.357) USER MOD Set 3.1: A 5 CYS SG : rot 108:sc= 2.79 USER MOD Set 3.2: A 10 CYS SG : rot 169:sc= -0.141! USER MOD Set 3.3: A 12 ASN : amide:sc= 0.284 K(o=-4.6,f=-6.7) USER MOD Set 3.4: A 54 CYS SG : rot -102:sc= -5.38! USER MOD Set 3.5: A 57 HIS : no HD1:sc= -2.19 K(o=-4.6,f=-16!) USER MOD Single : A 6 SER OG : rot 92:sc= 0.172 USER MOD Single : A 8 TYR OH : rot 180:sc= 0.00234 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= 1.27 (180deg=1.09) USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= 0.0926 (180deg=-0.876!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS :FLIP no HE2:sc= -8.72! C(o=-10!,f=-8.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 91:sc= 0.123 USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= -0.107 (180deg=-0.567) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.69) USER MOD Single : A 46 LYS NZ :NH3+ -159:sc=-0.000396 (180deg=-0.292) USER MOD Single : A 48 THR OG1 : rot -150:sc=-0.00111 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -3:sc= -2.88! USER MOD Single : A 52 SER OG : rot 180:sc= 0.032 USER MOD Single : A 55 SER OG : rot 100:sc= -0.993 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.083 USER MOD Single : A 62 SER OG : rot -140:sc= -2.08 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0409 X(o=-0.041,f=-0.35) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.127 F(o=-0.92,f=-0.13) USER MOD Single : A 79 THR OG1 : rot -35:sc= 0.00334 USER MOD ----------------------------------------------------------------- ATOM 64 N CYS A 5 -8.608 1.528 -3.877 1.00 10.00 N ATOM 65 CA CYS A 5 -7.754 2.184 -2.900 1.00 10.00 C ATOM 66 C CYS A 5 -8.473 2.308 -1.558 1.00 10.00 C ATOM 67 O CYS A 5 -9.587 1.814 -1.402 1.00 10.00 O ATOM 68 CB CYS A 5 -7.361 3.571 -3.414 1.00 10.00 C ATOM 69 SG CYS A 5 -7.139 3.646 -5.200 1.00 10.00 S ATOM 0 HA CYS A 5 -6.856 1.583 -2.755 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -8.128 4.288 -3.122 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.435 3.880 -2.929 1.00 10.00 H new ATOM 0 HG CYS A 5 -8.123 4.309 -5.732 1.00 10.00 H new ATOM 74 N SER A 6 -7.835 2.974 -0.603 1.00 10.00 N ATOM 75 CA SER A 6 -8.401 3.163 0.730 1.00 10.00 C ATOM 76 C SER A 6 -9.413 4.312 0.756 1.00 10.00 C ATOM 77 O SER A 6 -9.939 4.665 1.811 1.00 10.00 O ATOM 78 CB SER A 6 -7.265 3.439 1.713 1.00 10.00 C ATOM 79 OG SER A 6 -6.273 4.259 1.114 1.00 10.00 O ATOM 0 H SER A 6 -6.915 3.397 -0.728 1.00 10.00 H new ATOM 0 HA SER A 6 -8.933 2.256 1.015 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.659 3.928 2.604 1.00 10.00 H new ATOM 0 HB3 SER A 6 -6.820 2.498 2.036 1.00 10.00 H new ATOM 0 HG SER A 6 -6.470 5.201 1.301 1.00 10.00 H new ATOM 85 N ALA A 7 -9.672 4.898 -0.406 1.00 10.00 N ATOM 86 CA ALA A 7 -10.608 6.010 -0.506 1.00 10.00 C ATOM 87 C ALA A 7 -12.051 5.526 -0.574 1.00 10.00 C ATOM 88 O ALA A 7 -12.324 4.328 -0.538 1.00 10.00 O ATOM 89 CB ALA A 7 -10.281 6.870 -1.713 1.00 10.00 C ATOM 0 H ALA A 7 -9.247 4.622 -1.291 1.00 10.00 H new ATOM 0 HA ALA A 7 -10.504 6.612 0.397 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.989 7.696 -1.774 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -9.270 7.265 -1.615 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.349 6.267 -2.618 1.00 10.00 H new ATOM 95 N TYR A 8 -12.966 6.468 -0.718 1.00 10.00 N ATOM 96 CA TYR A 8 -14.380 6.163 -0.774 1.00 10.00 C ATOM 97 C TYR A 8 -14.900 6.275 -2.207 1.00 10.00 C ATOM 98 O TYR A 8 -15.314 7.346 -2.648 1.00 10.00 O ATOM 99 CB TYR A 8 -15.127 7.118 0.168 1.00 10.00 C ATOM 100 CG TYR A 8 -16.639 7.084 0.069 1.00 10.00 C ATOM 101 CD1 TYR A 8 -17.321 5.930 -0.306 1.00 10.00 C ATOM 102 CD2 TYR A 8 -17.384 8.219 0.360 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.696 5.912 -0.390 1.00 10.00 C ATOM 104 CE2 TYR A 8 -18.761 8.207 0.277 1.00 10.00 C ATOM 105 CZ TYR A 8 -19.411 7.053 -0.098 1.00 10.00 C ATOM 106 OH TYR A 8 -20.782 7.034 -0.170 1.00 10.00 O ATOM 0 H TYR A 8 -12.749 7.461 -0.799 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.550 5.136 -0.451 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -14.842 6.884 1.194 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.790 8.135 -0.033 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.763 5.034 -0.535 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -16.877 9.126 0.656 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -19.210 5.009 -0.683 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -19.326 9.099 0.505 1.00 10.00 H new ATOM 0 HH TYR A 8 -21.134 7.917 0.067 1.00 10.00 H new ATOM 116 N GLY A 9 -14.833 5.169 -2.942 1.00 10.00 N ATOM 117 CA GLY A 9 -15.337 5.154 -4.303 1.00 10.00 C ATOM 118 C GLY A 9 -14.247 5.109 -5.358 1.00 10.00 C ATOM 119 O GLY A 9 -14.539 5.032 -6.550 1.00 10.00 O ATOM 0 H GLY A 9 -14.439 4.285 -2.620 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.989 4.290 -4.430 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.949 6.041 -4.464 1.00 10.00 H new ATOM 123 N CYS A 10 -12.991 5.129 -4.930 1.00 10.00 N ATOM 124 CA CYS A 10 -11.878 5.100 -5.867 1.00 10.00 C ATOM 125 C CYS A 10 -11.557 3.682 -6.333 1.00 10.00 C ATOM 126 O CYS A 10 -10.572 3.076 -5.896 1.00 10.00 O ATOM 127 CB CYS A 10 -10.625 5.750 -5.276 1.00 10.00 C ATOM 128 SG CYS A 10 -9.271 5.870 -6.460 1.00 10.00 S ATOM 0 H CYS A 10 -12.720 5.165 -3.947 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.194 5.679 -6.734 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.875 6.748 -4.916 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.295 5.173 -4.412 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.335 6.630 -5.973 1.00 10.00 H new ATOM 133 N LYS A 11 -12.409 3.136 -7.187 1.00 10.00 N ATOM 134 CA LYS A 11 -12.188 1.807 -7.740 1.00 10.00 C ATOM 135 C LYS A 11 -11.283 1.914 -8.968 1.00 10.00 C ATOM 136 O LYS A 11 -11.518 1.281 -9.999 1.00 10.00 O ATOM 137 CB LYS A 11 -13.521 1.159 -8.121 1.00 10.00 C ATOM 138 CG LYS A 11 -14.480 0.986 -6.951 1.00 10.00 C ATOM 139 CD LYS A 11 -15.694 0.156 -7.341 1.00 10.00 C ATOM 140 CE LYS A 11 -15.310 -1.287 -7.634 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.490 -2.118 -7.987 1.00 10.00 N ATOM 0 H LYS A 11 -13.261 3.592 -7.513 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.706 1.182 -6.988 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -14.003 1.767 -8.887 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.325 0.183 -8.565 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.961 0.505 -6.122 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.805 1.965 -6.599 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -16.428 0.182 -6.536 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -16.168 0.593 -8.220 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -14.592 -1.311 -8.453 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -14.814 -1.714 -6.762 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -16.183 -3.093 -8.179 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -17.165 -2.117 -7.196 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -16.949 -1.727 -8.834 1.00 10.00 H new ATOM 155 N ASN A 12 -10.232 2.712 -8.828 1.00 10.00 N ATOM 156 CA ASN A 12 -9.281 2.968 -9.906 1.00 10.00 C ATOM 157 C ASN A 12 -8.189 1.920 -9.967 1.00 10.00 C ATOM 158 O ASN A 12 -7.000 2.250 -9.939 1.00 10.00 O ATOM 159 CB ASN A 12 -8.646 4.329 -9.741 1.00 10.00 C ATOM 160 CG ASN A 12 -9.620 5.463 -10.004 1.00 10.00 C ATOM 161 OD1 ASN A 12 -10.692 5.258 -10.577 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.252 6.674 -9.614 1.00 10.00 N ATOM 0 H ASN A 12 -10.013 3.202 -7.961 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.846 2.929 -10.837 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -8.251 4.421 -8.729 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -7.800 4.416 -10.423 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -9.863 7.473 -9.785 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -8.358 6.808 -9.142 1.00 10.00 H new ATOM 169 N ARG A 13 -8.626 0.675 -9.965 1.00 10.00 N ATOM 170 CA ARG A 13 -7.756 -0.507 -10.084 1.00 10.00 C ATOM 171 C ARG A 13 -6.568 -0.182 -10.997 1.00 10.00 C ATOM 172 O ARG A 13 -6.774 0.417 -12.052 1.00 10.00 O ATOM 173 CB ARG A 13 -8.570 -1.653 -10.715 1.00 10.00 C ATOM 174 CG ARG A 13 -8.125 -3.078 -10.372 1.00 10.00 C ATOM 175 CD ARG A 13 -6.644 -3.320 -10.629 1.00 10.00 C ATOM 176 NE ARG A 13 -6.371 -4.703 -11.027 1.00 10.00 N ATOM 177 CZ ARG A 13 -5.465 -5.059 -11.942 1.00 10.00 C ATOM 178 NH1 ARG A 13 -4.785 -4.136 -12.615 1.00 10.00 N ATOM 179 NH2 ARG A 13 -5.249 -6.345 -12.200 1.00 10.00 N ATOM 0 H ARG A 13 -9.615 0.439 -9.879 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.389 -0.796 -9.099 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.611 -1.539 -10.412 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.538 -1.537 -11.798 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.343 -3.277 -9.323 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -8.710 -3.786 -10.959 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.297 -2.644 -11.410 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.077 -3.084 -9.728 1.00 10.00 H new ATOM 0 HE ARG A 13 -6.908 -5.443 -10.576 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -4.953 -3.146 -12.435 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -4.095 -4.418 -13.312 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -5.775 -7.061 -11.699 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -4.557 -6.616 -12.899 1.00 10.00 H new ATOM 193 N TYR A 14 -5.351 -0.562 -10.578 1.00 10.00 N ATOM 194 CA TYR A 14 -4.124 -0.311 -11.355 1.00 10.00 C ATOM 195 C TYR A 14 -4.396 -0.371 -12.852 1.00 10.00 C ATOM 196 O TYR A 14 -4.646 -1.439 -13.413 1.00 10.00 O ATOM 197 CB TYR A 14 -3.036 -1.329 -11.001 1.00 10.00 C ATOM 198 CG TYR A 14 -1.632 -0.747 -10.910 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.097 0.047 -11.926 1.00 10.00 C ATOM 200 CD2 TYR A 14 -0.839 -0.993 -9.794 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.180 0.573 -11.825 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.439 -0.470 -9.691 1.00 10.00 C ATOM 203 CZ TYR A 14 0.942 0.312 -10.708 1.00 10.00 C ATOM 204 OH TYR A 14 2.212 0.840 -10.607 1.00 10.00 O ATOM 0 H TYR A 14 -5.188 -1.049 -9.697 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.780 0.691 -11.098 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.286 -1.792 -10.046 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.040 -2.121 -11.750 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.689 0.254 -12.805 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.228 -1.604 -8.992 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.577 1.186 -12.620 1.00 10.00 H new ATOM 0 HE2 TYR A 14 1.039 -0.674 -8.817 1.00 10.00 H new ATOM 0 HH TYR A 14 2.615 0.562 -9.758 1.00 10.00 H new ATOM 214 N ASP A 15 -4.359 0.792 -13.468 1.00 10.00 N ATOM 215 CA ASP A 15 -4.613 0.938 -14.886 1.00 10.00 C ATOM 216 C ASP A 15 -3.447 1.674 -15.508 1.00 10.00 C ATOM 217 O ASP A 15 -3.211 2.846 -15.226 1.00 10.00 O ATOM 218 CB ASP A 15 -5.932 1.686 -15.103 1.00 10.00 C ATOM 219 CG ASP A 15 -6.116 2.209 -16.512 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.541 1.632 -17.456 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.854 3.206 -16.672 1.00 10.00 O ATOM 0 H ASP A 15 -4.150 1.671 -12.994 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.708 -0.038 -15.362 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.760 1.019 -14.862 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.983 2.522 -14.406 1.00 10.00 H new ATOM 226 N LYS A 16 -2.709 0.958 -16.328 1.00 10.00 N ATOM 227 CA LYS A 16 -1.530 1.489 -16.992 1.00 10.00 C ATOM 228 C LYS A 16 -1.842 2.714 -17.854 1.00 10.00 C ATOM 229 O LYS A 16 -0.971 3.557 -18.078 1.00 10.00 O ATOM 230 CB LYS A 16 -0.892 0.390 -17.841 1.00 10.00 C ATOM 231 CG LYS A 16 -1.058 0.607 -19.344 1.00 10.00 C ATOM 232 CD LYS A 16 -1.158 -0.703 -20.101 1.00 10.00 C ATOM 233 CE LYS A 16 -1.570 -0.484 -21.549 1.00 10.00 C ATOM 234 NZ LYS A 16 -3.047 -0.423 -21.704 1.00 10.00 N ATOM 0 H LYS A 16 -2.908 -0.016 -16.557 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.834 1.819 -16.221 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.171 0.331 -17.606 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.332 -0.569 -17.570 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.954 1.201 -19.528 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.212 1.181 -19.723 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.197 -1.216 -20.069 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -1.883 -1.353 -19.610 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.128 0.443 -21.915 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.174 -1.291 -22.165 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.301 -0.630 -22.691 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.491 -1.125 -21.078 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.384 0.528 -21.452 1.00 10.00 H new ATOM 248 N ASP A 17 -3.073 2.808 -18.338 1.00 10.00 N ATOM 249 CA ASP A 17 -3.475 3.927 -19.177 1.00 10.00 C ATOM 250 C ASP A 17 -3.644 5.182 -18.345 1.00 10.00 C ATOM 251 O ASP A 17 -3.433 6.298 -18.820 1.00 10.00 O ATOM 252 CB ASP A 17 -4.784 3.617 -19.892 1.00 10.00 C ATOM 253 CG ASP A 17 -4.572 2.958 -21.236 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.390 3.683 -22.237 1.00 10.00 O ATOM 255 OD2 ASP A 17 -4.594 1.712 -21.304 1.00 10.00 O ATOM 0 H ASP A 17 -3.809 2.124 -18.164 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.692 4.090 -19.917 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.391 2.965 -19.264 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.346 4.541 -20.029 1.00 10.00 H new ATOM 260 N LYS A 18 -4.021 4.991 -17.095 1.00 10.00 N ATOM 261 CA LYS A 18 -4.228 6.108 -16.189 1.00 10.00 C ATOM 262 C LYS A 18 -2.923 6.424 -15.452 1.00 10.00 C ATOM 263 O LYS A 18 -2.191 5.517 -15.048 1.00 10.00 O ATOM 264 CB LYS A 18 -5.397 5.813 -15.228 1.00 10.00 C ATOM 265 CG LYS A 18 -4.993 5.430 -13.809 1.00 10.00 C ATOM 266 CD LYS A 18 -6.169 4.895 -12.984 1.00 10.00 C ATOM 267 CE LYS A 18 -7.516 5.465 -13.427 1.00 10.00 C ATOM 268 NZ LYS A 18 -8.214 4.577 -14.402 1.00 10.00 N ATOM 0 H LYS A 18 -4.190 4.074 -16.683 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.506 6.996 -16.756 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.038 6.694 -15.181 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.996 5.005 -15.648 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -4.209 4.674 -13.850 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.569 6.301 -13.308 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.197 3.808 -13.063 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.007 5.134 -11.933 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.151 5.611 -12.553 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.363 6.446 -13.877 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.692 5.158 -15.120 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.520 3.957 -14.865 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.917 3.997 -13.901 1.00 10.00 H new ATOM 282 N PRO A 19 -2.598 7.714 -15.287 1.00 10.00 N ATOM 283 CA PRO A 19 -1.359 8.120 -14.631 1.00 10.00 C ATOM 284 C PRO A 19 -1.410 8.061 -13.105 1.00 10.00 C ATOM 285 O PRO A 19 -1.511 9.089 -12.431 1.00 10.00 O ATOM 286 CB PRO A 19 -1.184 9.564 -15.098 1.00 10.00 C ATOM 287 CG PRO A 19 -2.564 10.067 -15.352 1.00 10.00 C ATOM 288 CD PRO A 19 -3.397 8.870 -15.740 1.00 10.00 C ATOM 0 HA PRO A 19 -0.540 7.449 -14.891 1.00 10.00 H new ATOM 0 HB2 PRO A 19 -0.680 10.164 -14.340 1.00 10.00 H new ATOM 0 HB3 PRO A 19 -0.575 9.614 -16.001 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -2.970 10.549 -14.463 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -2.564 10.813 -16.147 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -4.375 8.892 -15.259 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.571 8.837 -16.815 1.00 10.00 H new ATOM 296 N VAL A 20 -1.319 6.852 -12.564 1.00 10.00 N ATOM 297 CA VAL A 20 -1.298 6.652 -11.122 1.00 10.00 C ATOM 298 C VAL A 20 -0.403 5.468 -10.790 1.00 10.00 C ATOM 299 O VAL A 20 -0.262 4.536 -11.585 1.00 10.00 O ATOM 300 CB VAL A 20 -2.701 6.424 -10.469 1.00 10.00 C ATOM 301 CG1 VAL A 20 -3.740 7.417 -10.970 1.00 10.00 C ATOM 302 CG2 VAL A 20 -3.188 4.992 -10.647 1.00 10.00 C ATOM 0 H VAL A 20 -1.258 5.991 -13.107 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.916 7.583 -10.703 1.00 10.00 H new ATOM 0 HB VAL A 20 -2.571 6.600 -9.401 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -4.697 7.217 -10.487 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -3.418 8.431 -10.732 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.850 7.315 -12.050 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -4.166 4.879 -10.178 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -3.267 4.764 -11.710 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.481 4.306 -10.180 1.00 10.00 H new ATOM 312 N SER A 21 0.235 5.534 -9.642 1.00 10.00 N ATOM 313 CA SER A 21 1.097 4.466 -9.179 1.00 10.00 C ATOM 314 C SER A 21 0.572 3.980 -7.840 1.00 10.00 C ATOM 315 O SER A 21 -0.180 4.700 -7.180 1.00 10.00 O ATOM 316 CB SER A 21 2.539 4.965 -9.050 1.00 10.00 C ATOM 317 OG SER A 21 2.578 6.370 -8.841 1.00 10.00 O ATOM 0 H SER A 21 0.172 6.327 -9.004 1.00 10.00 H new ATOM 0 HA SER A 21 1.096 3.644 -9.895 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.030 4.457 -8.220 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.096 4.713 -9.952 1.00 10.00 H new ATOM 0 HG SER A 21 3.510 6.663 -8.760 1.00 10.00 H new ATOM 323 N PHE A 22 0.957 2.791 -7.422 1.00 10.00 N ATOM 324 CA PHE A 22 0.476 2.268 -6.161 1.00 10.00 C ATOM 325 C PHE A 22 1.594 2.262 -5.113 1.00 10.00 C ATOM 326 O PHE A 22 2.767 2.476 -5.429 1.00 10.00 O ATOM 327 CB PHE A 22 -0.137 0.875 -6.366 1.00 10.00 C ATOM 328 CG PHE A 22 -1.639 0.894 -6.526 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.221 1.104 -7.769 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.466 0.691 -5.436 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.600 1.108 -7.918 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.840 0.699 -5.576 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.408 0.907 -6.818 1.00 10.00 C ATOM 0 H PHE A 22 1.593 2.176 -7.930 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.310 2.920 -5.780 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.309 0.417 -7.249 1.00 10.00 H new ATOM 0 HB3 PHE A 22 0.122 0.244 -5.515 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -1.591 1.266 -8.631 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -2.031 0.524 -4.462 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.040 1.268 -8.891 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.471 0.542 -4.714 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.482 0.912 -6.928 1.00 10.00 H new ATOM 343 N HIS A 23 1.190 2.129 -3.861 1.00 10.00 N ATOM 344 CA HIS A 23 2.101 2.116 -2.708 1.00 10.00 C ATOM 345 C HIS A 23 1.412 1.425 -1.565 1.00 10.00 C ATOM 346 O HIS A 23 0.260 1.091 -1.677 1.00 10.00 O ATOM 347 CB HIS A 23 2.431 3.524 -2.206 1.00 10.00 C ATOM 348 CG HIS A 23 2.029 4.635 -3.102 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.757 5.560 -3.764 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.723 4.882 -3.408 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.867 6.344 -4.456 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.646 5.899 -4.213 1.00 10.00 N flip ATOM 0 H HIS A 23 0.208 2.025 -3.604 1.00 10.00 H new ATOM 0 HA HIS A 23 3.016 1.619 -3.030 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.948 3.668 -1.239 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.506 3.588 -2.038 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.772 5.657 -3.752 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.120 4.318 -3.037 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.121 7.181 -5.090 1.00 10.00 H new ATOM 361 N LYS A 24 2.095 1.232 -0.466 1.00 10.00 N ATOM 362 CA LYS A 24 1.475 0.622 0.693 1.00 10.00 C ATOM 363 C LYS A 24 1.335 1.695 1.778 1.00 10.00 C ATOM 364 O LYS A 24 1.914 2.777 1.638 1.00 10.00 O ATOM 365 CB LYS A 24 2.310 -0.551 1.200 1.00 10.00 C ATOM 366 CG LYS A 24 1.678 -1.907 0.932 1.00 10.00 C ATOM 367 CD LYS A 24 2.709 -3.019 0.999 1.00 10.00 C ATOM 368 CE LYS A 24 3.314 -3.148 2.387 1.00 10.00 C ATOM 369 NZ LYS A 24 4.746 -3.539 2.320 1.00 10.00 N ATOM 0 H LYS A 24 3.076 1.485 -0.344 1.00 10.00 H new ATOM 0 HA LYS A 24 0.494 0.230 0.426 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.292 -0.518 0.729 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.467 -0.438 2.273 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.890 -2.094 1.662 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.207 -1.903 -0.051 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.243 -3.963 0.717 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.500 -2.825 0.275 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.218 -2.200 2.917 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.759 -3.891 2.960 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 5.130 -3.619 3.283 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.833 -4.455 1.836 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.279 -2.817 1.794 1.00 10.00 H new ATOM 383 N PHE A 25 0.556 1.435 2.829 1.00 10.00 N ATOM 384 CA PHE A 25 0.396 2.411 3.914 1.00 10.00 C ATOM 385 C PHE A 25 1.743 2.724 4.555 1.00 10.00 C ATOM 386 O PHE A 25 2.682 1.927 4.467 1.00 10.00 O ATOM 387 CB PHE A 25 -0.509 1.877 5.027 1.00 10.00 C ATOM 388 CG PHE A 25 -1.923 2.422 5.045 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.828 2.069 4.069 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.349 3.268 6.057 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.127 2.551 4.087 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.647 3.749 6.086 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.534 3.393 5.098 1.00 10.00 C ATOM 0 H PHE A 25 0.031 0.569 2.954 1.00 10.00 H new ATOM 0 HA PHE A 25 -0.046 3.300 3.464 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.559 0.792 4.940 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -0.042 2.098 5.987 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.520 1.405 3.275 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.658 3.556 6.835 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.820 2.267 3.309 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.963 4.404 6.885 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.545 3.772 5.115 1.00 10.00 H new ATOM 403 N PRO A 26 1.858 3.889 5.206 1.00 10.00 N ATOM 404 CA PRO A 26 3.074 4.281 5.917 1.00 10.00 C ATOM 405 C PRO A 26 3.261 3.422 7.162 1.00 10.00 C ATOM 406 O PRO A 26 3.020 3.868 8.283 1.00 10.00 O ATOM 407 CB PRO A 26 2.788 5.725 6.318 1.00 10.00 C ATOM 408 CG PRO A 26 1.310 5.796 6.397 1.00 10.00 C ATOM 409 CD PRO A 26 0.823 4.938 5.280 1.00 10.00 C ATOM 0 HA PRO A 26 3.978 4.165 5.319 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.250 5.971 7.274 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.182 6.427 5.583 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.948 5.434 7.359 1.00 10.00 H new ATOM 0 HG3 PRO A 26 0.958 6.822 6.289 1.00 10.00 H new ATOM 0 HD2 PRO A 26 -0.162 4.521 5.489 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.742 5.495 4.346 1.00 10.00 H new ATOM 417 N LEU A 27 3.673 2.187 6.959 1.00 10.00 N ATOM 418 CA LEU A 27 3.858 1.258 8.054 1.00 10.00 C ATOM 419 C LEU A 27 5.009 1.687 8.936 1.00 10.00 C ATOM 420 O LEU A 27 5.078 1.343 10.113 1.00 10.00 O ATOM 421 CB LEU A 27 4.076 -0.143 7.500 1.00 10.00 C ATOM 422 CG LEU A 27 2.787 -0.851 7.078 1.00 10.00 C ATOM 423 CD1 LEU A 27 3.078 -2.262 6.598 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.805 -0.863 8.236 1.00 10.00 C ATOM 0 H LEU A 27 3.887 1.802 6.039 1.00 10.00 H new ATOM 0 HA LEU A 27 2.961 1.252 8.674 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.744 -0.083 6.641 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.580 -0.747 8.254 1.00 10.00 H new ATOM 0 HG LEU A 27 2.341 -0.305 6.247 1.00 10.00 H new ATOM 0 HD11 LEU A 27 2.147 -2.745 6.303 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.753 -2.224 5.743 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.544 -2.831 7.403 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.889 -1.368 7.931 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.246 -1.391 9.082 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.574 0.161 8.528 1.00 10.00 H new ATOM 436 N THR A 28 5.901 2.455 8.352 1.00 10.00 N ATOM 437 CA THR A 28 7.050 2.962 9.057 1.00 10.00 C ATOM 438 C THR A 28 6.765 4.364 9.604 1.00 10.00 C ATOM 439 O THR A 28 7.661 5.070 10.070 1.00 10.00 O ATOM 440 CB THR A 28 8.259 2.974 8.114 1.00 10.00 C ATOM 441 OG1 THR A 28 8.047 3.924 7.062 1.00 10.00 O ATOM 442 CG2 THR A 28 8.444 1.590 7.512 1.00 10.00 C ATOM 0 H THR A 28 5.848 2.744 7.375 1.00 10.00 H new ATOM 0 HA THR A 28 7.272 2.314 9.905 1.00 10.00 H new ATOM 0 HB THR A 28 9.150 3.253 8.677 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.823 3.928 6.464 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.303 1.597 6.841 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.612 0.866 8.309 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.550 1.314 6.953 1.00 10.00 H new ATOM 450 N ARG A 29 5.490 4.743 9.549 1.00 10.00 N ATOM 451 CA ARG A 29 5.019 6.034 10.033 1.00 10.00 C ATOM 452 C ARG A 29 3.625 5.852 10.625 1.00 10.00 C ATOM 453 O ARG A 29 2.678 6.461 10.158 1.00 10.00 O ATOM 454 CB ARG A 29 4.953 7.034 8.869 1.00 10.00 C ATOM 455 CG ARG A 29 6.091 8.031 8.807 1.00 10.00 C ATOM 456 CD ARG A 29 5.720 9.344 9.470 1.00 10.00 C ATOM 457 NE ARG A 29 6.873 9.976 10.112 1.00 10.00 N ATOM 458 CZ ARG A 29 7.894 10.533 9.455 1.00 10.00 C ATOM 459 NH1 ARG A 29 7.884 10.602 8.127 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.919 11.041 10.129 1.00 10.00 N ATOM 0 H ARG A 29 4.750 4.156 9.164 1.00 10.00 H new ATOM 0 HA ARG A 29 5.703 6.416 10.791 1.00 10.00 H new ATOM 0 HB2 ARG A 29 4.929 6.476 7.933 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.014 7.583 8.936 1.00 10.00 H new ATOM 0 HG2 ARG A 29 6.970 7.611 9.296 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.361 8.212 7.767 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.303 10.022 8.725 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.942 9.168 10.213 1.00 10.00 H new ATOM 0 HE ARG A 29 6.899 9.992 11.132 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.093 10.228 7.603 1.00 10.00 H new ATOM 0 HH12 ARG A 29 8.667 11.029 7.633 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.927 11.006 11.148 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.699 11.466 9.627 1.00 10.00 H new ATOM 474 N PRO A 30 3.497 5.010 11.663 1.00 10.00 N ATOM 475 CA PRO A 30 2.210 4.680 12.297 1.00 10.00 C ATOM 476 C PRO A 30 1.309 5.865 12.647 1.00 10.00 C ATOM 477 O PRO A 30 0.171 5.902 12.205 1.00 10.00 O ATOM 478 CB PRO A 30 2.599 3.958 13.574 1.00 10.00 C ATOM 479 CG PRO A 30 4.081 4.086 13.699 1.00 10.00 C ATOM 480 CD PRO A 30 4.601 4.299 12.317 1.00 10.00 C ATOM 0 HA PRO A 30 1.613 4.103 11.591 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.098 4.398 14.436 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.302 2.910 13.533 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.346 4.921 14.347 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.513 3.189 14.143 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.519 4.887 12.316 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.826 3.356 11.819 1.00 10.00 H new ATOM 488 N SER A 31 1.776 6.805 13.465 1.00 10.00 N ATOM 489 CA SER A 31 0.944 7.954 13.833 1.00 10.00 C ATOM 490 C SER A 31 0.400 8.610 12.574 1.00 10.00 C ATOM 491 O SER A 31 -0.797 8.876 12.459 1.00 10.00 O ATOM 492 CB SER A 31 1.761 8.951 14.649 1.00 10.00 C ATOM 493 OG SER A 31 2.822 8.295 15.317 1.00 10.00 O ATOM 0 H SER A 31 2.708 6.798 13.880 1.00 10.00 H new ATOM 0 HA SER A 31 0.107 7.616 14.444 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.160 9.725 13.994 1.00 10.00 H new ATOM 0 HB3 SER A 31 1.118 9.448 15.376 1.00 10.00 H new ATOM 0 HG SER A 31 3.620 8.302 14.749 1.00 10.00 H new ATOM 499 N LEU A 32 1.285 8.809 11.614 1.00 10.00 N ATOM 500 CA LEU A 32 0.913 9.390 10.342 1.00 10.00 C ATOM 501 C LEU A 32 -0.029 8.424 9.621 1.00 10.00 C ATOM 502 O LEU A 32 -1.003 8.831 8.998 1.00 10.00 O ATOM 503 CB LEU A 32 2.197 9.691 9.539 1.00 10.00 C ATOM 504 CG LEU A 32 2.042 10.173 8.092 1.00 10.00 C ATOM 505 CD1 LEU A 32 1.931 9.006 7.139 1.00 10.00 C ATOM 506 CD2 LEU A 32 0.853 11.097 7.961 1.00 10.00 C ATOM 0 H LEU A 32 2.274 8.574 11.695 1.00 10.00 H new ATOM 0 HA LEU A 32 0.381 10.333 10.468 1.00 10.00 H new ATOM 0 HB2 LEU A 32 2.763 10.446 10.084 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.804 8.785 9.527 1.00 10.00 H new ATOM 0 HG LEU A 32 2.938 10.734 7.825 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.822 9.377 6.120 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.830 8.393 7.208 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.061 8.404 7.401 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.761 11.427 6.926 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.053 10.567 8.255 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.993 11.963 8.607 1.00 10.00 H new ATOM 518 N CYS A 33 0.214 7.137 9.800 1.00 10.00 N ATOM 519 CA CYS A 33 -0.596 6.101 9.182 1.00 10.00 C ATOM 520 C CYS A 33 -2.014 6.229 9.681 1.00 10.00 C ATOM 521 O CYS A 33 -2.988 6.099 8.942 1.00 10.00 O ATOM 522 CB CYS A 33 -0.046 4.734 9.596 1.00 10.00 C ATOM 523 SG CYS A 33 -0.874 3.312 8.856 1.00 10.00 S ATOM 0 H CYS A 33 0.977 6.781 10.376 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.572 6.202 8.097 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.012 4.693 9.337 1.00 10.00 H new ATOM 0 HB3 CYS A 33 -0.112 4.648 10.681 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.853 3.722 8.106 1.00 10.00 H new ATOM 529 N LYS A 34 -2.082 6.574 10.943 1.00 10.00 N ATOM 530 CA LYS A 34 -3.314 6.705 11.660 1.00 10.00 C ATOM 531 C LYS A 34 -4.160 7.871 11.163 1.00 10.00 C ATOM 532 O LYS A 34 -5.387 7.779 11.164 1.00 10.00 O ATOM 533 CB LYS A 34 -2.960 6.837 13.133 1.00 10.00 C ATOM 534 CG LYS A 34 -3.990 7.546 13.980 1.00 10.00 C ATOM 535 CD LYS A 34 -3.304 8.484 14.953 1.00 10.00 C ATOM 536 CE LYS A 34 -4.184 8.768 16.162 1.00 10.00 C ATOM 537 NZ LYS A 34 -4.408 7.557 16.988 1.00 10.00 N ATOM 0 H LYS A 34 -1.258 6.775 11.509 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.937 5.825 11.496 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.800 5.840 13.543 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -2.014 7.372 13.217 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.674 8.106 13.342 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.589 6.817 14.526 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -2.362 8.045 15.281 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -3.061 9.420 14.449 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -3.720 9.542 16.773 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -5.144 9.160 15.826 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -4.640 7.839 17.962 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -5.195 7.006 16.590 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.546 6.975 16.992 1.00 10.00 H new ATOM 551 N GLU A 35 -3.548 8.948 10.670 1.00 10.00 N ATOM 552 CA GLU A 35 -4.377 10.060 10.225 1.00 10.00 C ATOM 553 C GLU A 35 -5.028 9.707 8.916 1.00 10.00 C ATOM 554 O GLU A 35 -6.025 10.311 8.536 1.00 10.00 O ATOM 555 CB GLU A 35 -3.648 11.394 10.098 1.00 10.00 C ATOM 556 CG GLU A 35 -2.169 11.287 9.821 1.00 10.00 C ATOM 557 CD GLU A 35 -1.405 12.529 10.236 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.597 13.590 9.608 1.00 10.00 O ATOM 559 OE2 GLU A 35 -0.621 12.456 11.209 1.00 10.00 O ATOM 0 H GLU A 35 -2.540 9.071 10.573 1.00 10.00 H new ATOM 0 HA GLU A 35 -5.120 10.210 11.009 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -4.112 11.970 9.297 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.790 11.958 11.020 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.766 10.424 10.350 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -2.015 11.109 8.757 1.00 10.00 H new ATOM 566 N TRP A 36 -4.480 8.712 8.223 1.00 10.00 N ATOM 567 CA TRP A 36 -5.072 8.288 6.977 1.00 10.00 C ATOM 568 C TRP A 36 -6.457 7.756 7.285 1.00 10.00 C ATOM 569 O TRP A 36 -7.385 7.937 6.503 1.00 10.00 O ATOM 570 CB TRP A 36 -4.198 7.248 6.265 1.00 10.00 C ATOM 571 CG TRP A 36 -2.895 7.817 5.774 1.00 10.00 C ATOM 572 CD1 TRP A 36 -2.188 8.838 6.343 1.00 10.00 C ATOM 573 CD2 TRP A 36 -2.147 7.411 4.616 1.00 10.00 C ATOM 574 NE1 TRP A 36 -1.062 9.103 5.613 1.00 10.00 N ATOM 575 CE2 TRP A 36 -1.004 8.236 4.553 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.326 6.437 3.623 1.00 10.00 C ATOM 577 CZ2 TRP A 36 -0.052 8.117 3.545 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.379 6.322 2.622 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.255 7.157 2.590 1.00 10.00 C ATOM 0 H TRP A 36 -3.644 8.199 8.503 1.00 10.00 H new ATOM 0 HA TRP A 36 -5.148 9.129 6.288 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.994 6.423 6.948 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.749 6.834 5.421 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -2.477 9.362 7.242 1.00 10.00 H new ATOM 0 HE1 TRP A 36 -0.376 9.828 5.823 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.189 5.788 3.640 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 0.816 8.759 3.517 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.508 5.576 1.852 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.467 7.041 1.795 1.00 10.00 H new ATOM 590 N GLU A 37 -6.607 7.192 8.489 1.00 10.00 N ATOM 591 CA GLU A 37 -7.888 6.668 8.925 1.00 10.00 C ATOM 592 C GLU A 37 -8.876 7.827 9.024 1.00 10.00 C ATOM 593 O GLU A 37 -10.056 7.699 8.693 1.00 10.00 O ATOM 594 CB GLU A 37 -7.773 5.991 10.298 1.00 10.00 C ATOM 595 CG GLU A 37 -6.581 5.061 10.451 1.00 10.00 C ATOM 596 CD GLU A 37 -6.888 3.628 10.076 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.829 3.045 10.654 1.00 10.00 O ATOM 598 OE2 GLU A 37 -6.164 3.062 9.233 1.00 10.00 O ATOM 0 H GLU A 37 -5.855 7.091 9.170 1.00 10.00 H new ATOM 0 HA GLU A 37 -8.228 5.924 8.204 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.714 6.763 11.065 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.685 5.424 10.486 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.763 5.425 9.829 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.234 5.093 11.484 1.00 10.00 H new ATOM 605 N ALA A 38 -8.346 8.981 9.431 1.00 10.00 N ATOM 606 CA ALA A 38 -9.132 10.190 9.597 1.00 10.00 C ATOM 607 C ALA A 38 -9.717 10.647 8.272 1.00 10.00 C ATOM 608 O ALA A 38 -10.736 11.337 8.231 1.00 10.00 O ATOM 609 CB ALA A 38 -8.285 11.289 10.216 1.00 10.00 C ATOM 0 H ALA A 38 -7.357 9.097 9.654 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.961 9.968 10.270 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.887 12.190 10.335 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.923 10.964 11.191 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.436 11.503 9.567 1.00 10.00 H new ATOM 615 N ALA A 39 -9.067 10.259 7.183 1.00 10.00 N ATOM 616 CA ALA A 39 -9.533 10.624 5.864 1.00 10.00 C ATOM 617 C ALA A 39 -10.549 9.597 5.368 1.00 10.00 C ATOM 618 O ALA A 39 -11.416 9.907 4.549 1.00 10.00 O ATOM 619 CB ALA A 39 -8.362 10.751 4.903 1.00 10.00 C ATOM 0 H ALA A 39 -8.218 9.693 7.193 1.00 10.00 H new ATOM 0 HA ALA A 39 -10.026 11.595 5.915 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.731 11.026 3.915 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.678 11.520 5.262 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.837 9.798 4.842 1.00 10.00 H new ATOM 625 N VAL A 40 -10.460 8.379 5.901 1.00 10.00 N ATOM 626 CA VAL A 40 -11.368 7.298 5.522 1.00 10.00 C ATOM 627 C VAL A 40 -12.609 7.340 6.414 1.00 10.00 C ATOM 628 O VAL A 40 -13.004 6.348 7.026 1.00 10.00 O ATOM 629 CB VAL A 40 -10.700 5.921 5.647 1.00 10.00 C ATOM 630 CG1 VAL A 40 -11.409 4.907 4.770 1.00 10.00 C ATOM 631 CG2 VAL A 40 -9.218 5.982 5.294 1.00 10.00 C ATOM 0 H VAL A 40 -9.765 8.116 6.600 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.644 7.445 4.478 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.781 5.608 6.688 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.923 3.936 4.870 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -12.451 4.825 5.079 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.363 5.230 3.730 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.779 4.989 5.394 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -9.103 6.328 4.267 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.711 6.672 5.969 1.00 10.00 H new ATOM 641 N ARG A 41 -13.195 8.516 6.480 1.00 10.00 N ATOM 642 CA ARG A 41 -14.374 8.798 7.306 1.00 10.00 C ATOM 643 C ARG A 41 -15.643 8.043 6.882 1.00 10.00 C ATOM 644 O ARG A 41 -16.724 8.322 7.400 1.00 10.00 O ATOM 645 CB ARG A 41 -14.657 10.307 7.284 1.00 10.00 C ATOM 646 CG ARG A 41 -15.433 10.789 6.057 1.00 10.00 C ATOM 647 CD ARG A 41 -14.584 10.779 4.793 1.00 10.00 C ATOM 648 NE ARG A 41 -15.221 11.514 3.699 1.00 10.00 N ATOM 649 CZ ARG A 41 -14.614 12.460 2.977 1.00 10.00 C ATOM 650 NH1 ARG A 41 -13.362 12.814 3.249 1.00 10.00 N ATOM 651 NH2 ARG A 41 -15.268 13.061 1.985 1.00 10.00 N ATOM 0 H ARG A 41 -12.867 9.326 5.955 1.00 10.00 H new ATOM 0 HA ARG A 41 -14.131 8.447 8.309 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -15.218 10.572 8.180 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.709 10.842 7.332 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -16.306 10.153 5.910 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -15.801 11.799 6.237 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -13.610 11.219 5.007 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -14.407 9.749 4.483 1.00 10.00 H new ATOM 0 HE ARG A 41 -16.190 11.290 3.474 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -12.859 12.363 4.013 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -12.904 13.537 2.694 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -16.232 12.799 1.777 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -14.805 13.783 1.433 1.00 10.00 H new ATOM 665 N ARG A 42 -15.536 7.092 5.969 1.00 10.00 N ATOM 666 CA ARG A 42 -16.717 6.369 5.526 1.00 10.00 C ATOM 667 C ARG A 42 -16.945 5.114 6.352 1.00 10.00 C ATOM 668 O ARG A 42 -16.004 4.541 6.907 1.00 10.00 O ATOM 669 CB ARG A 42 -16.629 6.001 4.045 1.00 10.00 C ATOM 670 CG ARG A 42 -17.991 5.858 3.369 1.00 10.00 C ATOM 671 CD ARG A 42 -18.861 7.100 3.548 1.00 10.00 C ATOM 672 NE ARG A 42 -20.189 6.944 2.943 1.00 10.00 N ATOM 673 CZ ARG A 42 -21.322 7.386 3.494 1.00 10.00 C ATOM 674 NH1 ARG A 42 -21.306 7.977 4.680 1.00 10.00 N ATOM 675 NH2 ARG A 42 -22.474 7.232 2.854 1.00 10.00 N ATOM 0 H ARG A 42 -14.662 6.806 5.527 1.00 10.00 H new ATOM 0 HA ARG A 42 -17.565 7.039 5.668 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -16.052 6.764 3.523 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -16.082 5.063 3.944 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.848 5.668 2.305 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.509 4.992 3.781 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -18.972 7.313 4.611 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -18.360 7.959 3.102 1.00 10.00 H new ATOM 0 HE ARG A 42 -20.250 6.467 2.043 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -20.424 8.097 5.178 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -22.176 8.312 5.095 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -22.494 6.776 1.942 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -23.340 7.569 3.274 1.00 10.00 H new ATOM 689 N LYS A 43 -18.208 4.707 6.438 1.00 10.00 N ATOM 690 CA LYS A 43 -18.589 3.509 7.168 1.00 10.00 C ATOM 691 C LYS A 43 -17.855 2.305 6.603 1.00 10.00 C ATOM 692 O LYS A 43 -17.296 1.497 7.342 1.00 10.00 O ATOM 693 CB LYS A 43 -20.101 3.281 7.065 1.00 10.00 C ATOM 694 CG LYS A 43 -20.497 1.811 6.976 1.00 10.00 C ATOM 695 CD LYS A 43 -21.996 1.638 6.831 1.00 10.00 C ATOM 696 CE LYS A 43 -22.374 0.169 6.735 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.846 -0.023 6.686 1.00 10.00 N ATOM 0 H LYS A 43 -18.990 5.198 6.005 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.320 3.640 8.216 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.586 3.726 7.934 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.479 3.803 6.186 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.994 1.350 6.126 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.156 1.288 7.870 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.501 2.091 7.684 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.341 2.164 5.941 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -21.922 -0.265 5.843 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -21.966 -0.367 7.592 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -24.062 -1.038 6.621 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.276 0.368 7.549 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.233 0.467 5.854 1.00 10.00 H new ATOM 711 N ASN A 44 -17.859 2.202 5.280 1.00 10.00 N ATOM 712 CA ASN A 44 -17.202 1.103 4.604 1.00 10.00 C ATOM 713 C ASN A 44 -15.710 1.372 4.470 1.00 10.00 C ATOM 714 O ASN A 44 -15.201 1.579 3.369 1.00 10.00 O ATOM 715 CB ASN A 44 -17.826 0.831 3.226 1.00 10.00 C ATOM 716 CG ASN A 44 -18.752 1.933 2.742 1.00 10.00 C ATOM 717 OD1 ASN A 44 -18.314 2.942 2.189 1.00 10.00 O ATOM 718 ND2 ASN A 44 -20.049 1.738 2.934 1.00 10.00 N ATOM 0 H ASN A 44 -18.312 2.870 4.657 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.344 0.210 5.213 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.027 0.695 2.497 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.382 -0.105 3.268 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -20.722 2.437 2.619 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -20.374 0.889 3.396 1.00 10.00 H new ATOM 725 N PHE A 45 -15.038 1.448 5.615 1.00 10.00 N ATOM 726 CA PHE A 45 -13.599 1.645 5.652 1.00 10.00 C ATOM 727 C PHE A 45 -12.937 0.486 4.907 1.00 10.00 C ATOM 728 O PHE A 45 -13.140 -0.680 5.246 1.00 10.00 O ATOM 729 CB PHE A 45 -13.114 1.730 7.116 1.00 10.00 C ATOM 730 CG PHE A 45 -11.678 2.165 7.281 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.661 1.413 6.739 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.345 3.320 7.977 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.344 1.782 6.868 1.00 10.00 C ATOM 734 CE2 PHE A 45 -10.024 3.704 8.116 1.00 10.00 C ATOM 735 CZ PHE A 45 -9.020 2.934 7.557 1.00 10.00 C ATOM 0 H PHE A 45 -15.474 1.375 6.534 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.327 2.582 5.166 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.755 2.427 7.657 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.239 0.753 7.583 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.904 0.510 6.199 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -12.126 3.924 8.414 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.565 1.174 6.432 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.777 4.604 8.660 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.987 3.233 7.659 1.00 10.00 H new ATOM 745 N LYS A 46 -12.177 0.829 3.879 1.00 10.00 N ATOM 746 CA LYS A 46 -11.491 -0.145 3.041 1.00 10.00 C ATOM 747 C LYS A 46 -10.379 -0.881 3.805 1.00 10.00 C ATOM 748 O LYS A 46 -10.188 -0.639 4.987 1.00 10.00 O ATOM 749 CB LYS A 46 -10.964 0.578 1.803 1.00 10.00 C ATOM 750 CG LYS A 46 -11.652 0.111 0.534 1.00 10.00 C ATOM 751 CD LYS A 46 -12.394 1.235 -0.169 1.00 10.00 C ATOM 752 CE LYS A 46 -13.711 0.744 -0.755 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.535 -0.486 -1.574 1.00 10.00 N ATOM 0 H LYS A 46 -12.017 1.797 3.600 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.191 -0.922 2.734 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.111 1.652 1.921 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.890 0.411 1.716 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.910 -0.311 -0.144 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.353 -0.688 0.777 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.586 2.044 0.536 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.770 1.645 -0.963 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.414 0.543 0.053 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -14.149 1.530 -1.371 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.339 -0.587 -2.226 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.653 -0.416 -2.120 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.491 -1.316 -0.949 1.00 10.00 H new ATOM 767 N PRO A 47 -9.641 -1.812 3.155 1.00 10.00 N ATOM 768 CA PRO A 47 -8.582 -2.569 3.825 1.00 10.00 C ATOM 769 C PRO A 47 -7.583 -1.708 4.587 1.00 10.00 C ATOM 770 O PRO A 47 -7.448 -0.505 4.363 1.00 10.00 O ATOM 771 CB PRO A 47 -7.914 -3.347 2.697 1.00 10.00 C ATOM 772 CG PRO A 47 -8.967 -3.471 1.653 1.00 10.00 C ATOM 773 CD PRO A 47 -9.779 -2.209 1.745 1.00 10.00 C ATOM 0 HA PRO A 47 -8.996 -3.208 4.604 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.038 -2.821 2.317 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.575 -4.326 3.037 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.526 -3.582 0.663 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.588 -4.350 1.825 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.401 -1.439 1.073 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.821 -2.382 1.477 1.00 10.00 H new ATOM 781 N THR A 48 -6.842 -2.380 5.444 1.00 10.00 N ATOM 782 CA THR A 48 -5.897 -1.744 6.333 1.00 10.00 C ATOM 783 C THR A 48 -4.596 -1.375 5.667 1.00 10.00 C ATOM 784 O THR A 48 -4.421 -1.539 4.463 1.00 10.00 O ATOM 785 CB THR A 48 -5.590 -2.687 7.498 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.763 -3.777 7.047 1.00 10.00 O ATOM 787 CG2 THR A 48 -6.875 -3.246 8.036 1.00 10.00 C ATOM 0 H THR A 48 -6.881 -3.394 5.542 1.00 10.00 H new ATOM 0 HA THR A 48 -6.364 -0.819 6.670 1.00 10.00 H new ATOM 0 HB THR A 48 -5.066 -2.131 8.275 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.949 -4.574 7.586 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.660 -3.918 8.866 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.509 -2.431 8.384 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.391 -3.795 7.248 1.00 10.00 H new ATOM 795 N LYS A 49 -3.667 -0.947 6.502 1.00 10.00 N ATOM 796 CA LYS A 49 -2.349 -0.517 6.079 1.00 10.00 C ATOM 797 C LYS A 49 -1.559 -1.594 5.353 1.00 10.00 C ATOM 798 O LYS A 49 -0.459 -1.333 4.873 1.00 10.00 O ATOM 799 CB LYS A 49 -1.550 -0.018 7.283 1.00 10.00 C ATOM 800 CG LYS A 49 -1.845 -0.741 8.585 1.00 10.00 C ATOM 801 CD LYS A 49 -2.280 0.244 9.655 1.00 10.00 C ATOM 802 CE LYS A 49 -3.774 0.524 9.586 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.143 1.771 10.308 1.00 10.00 N ATOM 0 H LYS A 49 -3.811 -0.888 7.510 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.507 0.290 5.363 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.487 -0.116 7.062 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.751 1.045 7.420 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.627 -1.483 8.426 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -0.958 -1.280 8.918 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.029 -0.152 10.639 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.729 1.177 9.537 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.079 0.606 8.543 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.320 -0.317 10.013 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -4.702 2.383 9.680 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -4.706 1.532 11.149 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -3.279 2.271 10.601 1.00 10.00 H new ATOM 817 N TYR A 50 -2.087 -2.803 5.271 1.00 10.00 N ATOM 818 CA TYR A 50 -1.376 -3.835 4.569 1.00 10.00 C ATOM 819 C TYR A 50 -1.665 -3.729 3.085 1.00 10.00 C ATOM 820 O TYR A 50 -0.828 -4.073 2.261 1.00 10.00 O ATOM 821 CB TYR A 50 -1.761 -5.203 5.079 1.00 10.00 C ATOM 822 CG TYR A 50 -1.184 -5.553 6.424 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.154 -5.892 6.554 1.00 10.00 C ATOM 824 CD2 TYR A 50 -1.991 -5.603 7.549 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.673 -6.286 7.765 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.475 -5.978 8.773 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.142 -6.327 8.872 1.00 10.00 C ATOM 828 OH TYR A 50 0.368 -6.772 10.067 1.00 10.00 O ATOM 0 H TYR A 50 -2.982 -3.081 5.673 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.308 -3.701 4.742 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.848 -5.262 5.137 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.439 -5.951 4.354 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.800 -5.846 5.690 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.037 -5.345 7.467 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.714 -6.562 7.846 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.109 -5.998 9.647 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.331 -6.740 10.753 1.00 10.00 H new ATOM 838 N SER A 51 -2.858 -3.248 2.743 1.00 10.00 N ATOM 839 CA SER A 51 -3.216 -3.100 1.344 1.00 10.00 C ATOM 840 C SER A 51 -2.453 -1.925 0.732 1.00 10.00 C ATOM 841 O SER A 51 -1.779 -1.173 1.438 1.00 10.00 O ATOM 842 CB SER A 51 -4.724 -2.947 1.149 1.00 10.00 C ATOM 843 OG SER A 51 -5.296 -2.087 2.105 1.00 10.00 O ATOM 0 H SER A 51 -3.578 -2.960 3.405 1.00 10.00 H new ATOM 0 HA SER A 51 -2.929 -4.014 0.824 1.00 10.00 H new ATOM 0 HB2 SER A 51 -4.923 -2.561 0.149 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.199 -3.926 1.212 1.00 10.00 H new ATOM 0 HG SER A 51 -4.607 -1.800 2.740 1.00 10.00 H new ATOM 849 N SER A 52 -2.563 -1.766 -0.572 1.00 10.00 N ATOM 850 CA SER A 52 -1.841 -0.725 -1.266 1.00 10.00 C ATOM 851 C SER A 52 -2.764 0.422 -1.723 1.00 10.00 C ATOM 852 O SER A 52 -3.935 0.215 -2.041 1.00 10.00 O ATOM 853 CB SER A 52 -1.097 -1.379 -2.429 1.00 10.00 C ATOM 854 OG SER A 52 -1.761 -2.582 -2.846 1.00 10.00 O ATOM 0 H SER A 52 -3.148 -2.348 -1.172 1.00 10.00 H new ATOM 0 HA SER A 52 -1.127 -0.252 -0.592 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.036 -0.683 -3.266 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.074 -1.608 -2.130 1.00 10.00 H new ATOM 0 HG SER A 52 -1.270 -2.985 -3.593 1.00 10.00 H new ATOM 860 N ILE A 53 -2.209 1.636 -1.730 1.00 10.00 N ATOM 861 CA ILE A 53 -2.941 2.849 -2.081 1.00 10.00 C ATOM 862 C ILE A 53 -2.350 3.446 -3.366 1.00 10.00 C ATOM 863 O ILE A 53 -1.239 3.092 -3.731 1.00 10.00 O ATOM 864 CB ILE A 53 -2.867 3.875 -0.906 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.469 3.287 0.378 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.578 5.172 -1.255 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.581 2.288 1.097 1.00 10.00 C ATOM 0 H ILE A 53 -1.232 1.803 -1.490 1.00 10.00 H new ATOM 0 HA ILE A 53 -3.989 2.608 -2.256 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.812 4.092 -0.737 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.701 4.104 1.061 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.413 2.801 0.131 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.507 5.863 -0.415 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.111 5.618 -2.133 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.627 4.966 -1.468 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.089 1.927 1.991 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.369 1.448 0.436 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.646 2.771 1.381 1.00 10.00 H new ATOM 879 N CYS A 54 -3.056 4.354 -4.042 1.00 10.00 N ATOM 880 CA CYS A 54 -2.550 4.925 -5.288 1.00 10.00 C ATOM 881 C CYS A 54 -2.216 6.430 -5.153 1.00 10.00 C ATOM 882 O CYS A 54 -2.695 7.112 -4.246 1.00 10.00 O ATOM 883 CB CYS A 54 -3.532 4.653 -6.426 1.00 10.00 C ATOM 884 SG CYS A 54 -5.047 5.606 -6.339 1.00 10.00 S ATOM 0 H CYS A 54 -3.968 4.705 -3.751 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.607 4.433 -5.526 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -3.038 4.864 -7.374 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.784 3.592 -6.427 1.00 10.00 H new ATOM 0 HG CYS A 54 -6.007 4.855 -5.886 1.00 10.00 H new ATOM 889 N SER A 55 -1.376 6.904 -6.080 1.00 10.00 N ATOM 890 CA SER A 55 -0.826 8.274 -6.117 1.00 10.00 C ATOM 891 C SER A 55 -1.826 9.426 -5.961 1.00 10.00 C ATOM 892 O SER A 55 -1.647 10.269 -5.087 1.00 10.00 O ATOM 893 CB SER A 55 -0.059 8.443 -7.428 1.00 10.00 C ATOM 894 OG SER A 55 -0.844 8.033 -8.532 1.00 10.00 O ATOM 0 H SER A 55 -1.046 6.328 -6.854 1.00 10.00 H new ATOM 0 HA SER A 55 -0.194 8.354 -5.233 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.232 9.486 -7.551 1.00 10.00 H new ATOM 0 HB3 SER A 55 0.860 7.858 -7.394 1.00 10.00 H new ATOM 0 HG SER A 55 -1.233 8.820 -8.967 1.00 10.00 H new ATOM 900 N GLU A 56 -2.830 9.470 -6.832 1.00 10.00 N ATOM 901 CA GLU A 56 -3.863 10.528 -6.862 1.00 10.00 C ATOM 902 C GLU A 56 -4.404 10.952 -5.492 1.00 10.00 C ATOM 903 O GLU A 56 -5.018 12.007 -5.372 1.00 10.00 O ATOM 904 CB GLU A 56 -5.036 10.044 -7.713 1.00 10.00 C ATOM 905 CG GLU A 56 -5.190 8.535 -7.672 1.00 10.00 C ATOM 906 CD GLU A 56 -6.625 8.057 -7.772 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.329 8.442 -8.721 1.00 10.00 O ATOM 908 OE2 GLU A 56 -7.044 7.253 -6.895 1.00 10.00 O ATOM 0 H GLU A 56 -2.960 8.763 -7.555 1.00 10.00 H new ATOM 0 HA GLU A 56 -3.371 11.408 -7.278 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.956 10.511 -7.360 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.891 10.365 -8.745 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.615 8.099 -8.489 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.758 8.161 -6.744 1.00 10.00 H new ATOM 915 N HIS A 57 -4.191 10.146 -4.472 1.00 10.00 N ATOM 916 CA HIS A 57 -4.705 10.460 -3.145 1.00 10.00 C ATOM 917 C HIS A 57 -3.797 11.386 -2.336 1.00 10.00 C ATOM 918 O HIS A 57 -4.248 11.980 -1.355 1.00 10.00 O ATOM 919 CB HIS A 57 -4.983 9.168 -2.387 1.00 10.00 C ATOM 920 CG HIS A 57 -6.040 8.347 -3.053 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.306 8.816 -3.331 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.986 7.086 -3.549 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.970 7.847 -3.972 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.211 6.772 -4.136 1.00 10.00 N ATOM 0 H HIS A 57 -3.669 9.272 -4.531 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.632 11.015 -3.286 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -4.064 8.586 -2.313 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -5.294 9.404 -1.369 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.130 6.429 -3.497 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.992 7.930 -4.312 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.469 5.899 -4.595 1.00 10.00 H new ATOM 932 N PHE A 58 -2.535 11.524 -2.724 1.00 10.00 N ATOM 933 CA PHE A 58 -1.628 12.408 -2.003 1.00 10.00 C ATOM 934 C PHE A 58 -0.884 13.300 -2.963 1.00 10.00 C ATOM 935 O PHE A 58 -0.952 13.133 -4.180 1.00 10.00 O ATOM 936 CB PHE A 58 -0.602 11.641 -1.157 1.00 10.00 C ATOM 937 CG PHE A 58 -0.705 10.161 -1.263 1.00 10.00 C ATOM 938 CD1 PHE A 58 -0.068 9.516 -2.291 1.00 10.00 C ATOM 939 CD2 PHE A 58 -1.424 9.417 -0.342 1.00 10.00 C ATOM 940 CE1 PHE A 58 -0.136 8.159 -2.416 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.500 8.047 -0.458 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.855 7.414 -1.500 1.00 10.00 C ATOM 0 H PHE A 58 -2.121 11.043 -3.522 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.251 13.001 -1.333 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.400 11.946 -1.458 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.723 11.928 -0.112 1.00 10.00 H new ATOM 0 HD1 PHE A 58 0.495 10.090 -3.012 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.929 9.915 0.473 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.373 7.666 -3.232 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.062 7.471 0.263 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.911 6.340 -1.600 1.00 10.00 H new ATOM 952 N THR A 59 -0.177 14.250 -2.400 1.00 10.00 N ATOM 953 CA THR A 59 0.616 15.163 -3.170 1.00 10.00 C ATOM 954 C THR A 59 1.932 14.516 -3.527 1.00 10.00 C ATOM 955 O THR A 59 2.463 13.717 -2.755 1.00 10.00 O ATOM 956 CB THR A 59 0.862 16.444 -2.370 1.00 10.00 C ATOM 957 OG1 THR A 59 0.935 16.129 -0.968 1.00 10.00 O ATOM 958 CG2 THR A 59 -0.259 17.429 -2.617 1.00 10.00 C ATOM 0 H THR A 59 -0.139 14.408 -1.393 1.00 10.00 H new ATOM 0 HA THR A 59 0.083 15.417 -4.086 1.00 10.00 H new ATOM 0 HB THR A 59 1.803 16.892 -2.689 1.00 10.00 H new ATOM 0 HG1 THR A 59 1.094 16.949 -0.456 1.00 10.00 H new ATOM 0 HG21 THR A 59 -0.077 18.338 -2.044 1.00 10.00 H new ATOM 0 HG22 THR A 59 -0.303 17.672 -3.679 1.00 10.00 H new ATOM 0 HG23 THR A 59 -1.206 16.988 -2.306 1.00 10.00 H new ATOM 966 N PRO A 60 2.452 14.822 -4.717 1.00 10.00 N ATOM 967 CA PRO A 60 3.732 14.301 -5.199 1.00 10.00 C ATOM 968 C PRO A 60 4.816 14.407 -4.141 1.00 10.00 C ATOM 969 O PRO A 60 5.680 13.541 -4.017 1.00 10.00 O ATOM 970 CB PRO A 60 4.057 15.219 -6.388 1.00 10.00 C ATOM 971 CG PRO A 60 3.030 16.306 -6.349 1.00 10.00 C ATOM 972 CD PRO A 60 1.831 15.696 -5.710 1.00 10.00 C ATOM 0 HA PRO A 60 3.680 13.244 -5.460 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.064 15.628 -6.304 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.013 14.672 -7.330 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.387 17.163 -5.777 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.800 16.665 -7.352 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.183 16.444 -5.252 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.222 15.141 -6.423 1.00 10.00 H new ATOM 980 N ASP A 61 4.734 15.477 -3.372 1.00 10.00 N ATOM 981 CA ASP A 61 5.678 15.740 -2.293 1.00 10.00 C ATOM 982 C ASP A 61 5.688 14.581 -1.299 1.00 10.00 C ATOM 983 O ASP A 61 6.743 14.138 -0.845 1.00 10.00 O ATOM 984 CB ASP A 61 5.301 17.019 -1.529 1.00 10.00 C ATOM 985 CG ASP A 61 4.689 18.102 -2.399 1.00 10.00 C ATOM 986 OD1 ASP A 61 3.647 17.845 -3.040 1.00 10.00 O ATOM 987 OD2 ASP A 61 5.230 19.226 -2.423 1.00 10.00 O ATOM 0 H ASP A 61 4.012 16.190 -3.475 1.00 10.00 H new ATOM 0 HA ASP A 61 6.662 15.859 -2.746 1.00 10.00 H new ATOM 0 HB2 ASP A 61 4.597 16.763 -0.737 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.193 17.417 -1.045 1.00 10.00 H new ATOM 992 N SER A 62 4.494 14.109 -0.963 1.00 10.00 N ATOM 993 CA SER A 62 4.315 13.026 -0.006 1.00 10.00 C ATOM 994 C SER A 62 4.232 11.666 -0.682 1.00 10.00 C ATOM 995 O SER A 62 4.061 10.665 -0.009 1.00 10.00 O ATOM 996 CB SER A 62 3.033 13.246 0.785 1.00 10.00 C ATOM 997 OG SER A 62 3.201 12.862 2.139 1.00 10.00 O ATOM 0 H SER A 62 3.620 14.468 -1.348 1.00 10.00 H new ATOM 0 HA SER A 62 5.186 13.033 0.649 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.745 14.296 0.734 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.222 12.671 0.338 1.00 10.00 H new ATOM 0 HG SER A 62 2.392 12.407 2.453 1.00 10.00 H new ATOM 1003 N PHE A 63 4.341 11.648 -1.998 1.00 10.00 N ATOM 1004 CA PHE A 63 4.221 10.408 -2.781 1.00 10.00 C ATOM 1005 C PHE A 63 4.836 9.155 -2.129 1.00 10.00 C ATOM 1006 O PHE A 63 4.148 8.135 -2.025 1.00 10.00 O ATOM 1007 CB PHE A 63 4.804 10.557 -4.183 1.00 10.00 C ATOM 1008 CG PHE A 63 3.804 10.882 -5.266 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.443 10.651 -5.093 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.235 11.415 -6.472 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.545 10.948 -6.092 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.334 11.712 -7.477 1.00 10.00 C ATOM 1013 CZ PHE A 63 1.987 11.479 -7.286 1.00 10.00 C ATOM 0 H PHE A 63 4.514 12.481 -2.561 1.00 10.00 H new ATOM 0 HA PHE A 63 3.144 10.249 -2.826 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.561 11.341 -4.163 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.313 9.630 -4.447 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.087 10.233 -4.163 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.288 11.600 -6.627 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.491 10.765 -5.941 1.00 10.00 H new ATOM 0 HE2 PHE A 63 3.684 12.126 -8.411 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.281 11.712 -8.069 1.00 10.00 H new ATOM 1023 N LYS A 64 6.108 9.208 -1.700 1.00 10.00 N ATOM 1024 CA LYS A 64 6.749 8.017 -1.110 1.00 10.00 C ATOM 1025 C LYS A 64 8.165 8.301 -0.602 1.00 10.00 C ATOM 1026 O LYS A 64 8.447 9.381 -0.100 1.00 10.00 O ATOM 1027 CB LYS A 64 6.786 6.874 -2.138 1.00 10.00 C ATOM 1028 CG LYS A 64 7.522 7.215 -3.430 1.00 10.00 C ATOM 1029 CD LYS A 64 7.634 6.007 -4.349 1.00 10.00 C ATOM 1030 CE LYS A 64 6.400 5.855 -5.225 1.00 10.00 C ATOM 1031 NZ LYS A 64 6.182 4.438 -5.636 1.00 10.00 N ATOM 0 H LYS A 64 6.700 10.037 -1.747 1.00 10.00 H new ATOM 0 HA LYS A 64 6.147 7.726 -0.249 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.261 6.006 -1.681 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.763 6.587 -2.381 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.997 8.018 -3.947 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.519 7.586 -3.194 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.518 6.109 -4.979 1.00 10.00 H new ATOM 0 HD3 LYS A 64 7.770 5.106 -3.751 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.525 6.215 -4.685 1.00 10.00 H new ATOM 0 HE3 LYS A 64 6.506 6.479 -6.113 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 5.332 4.376 -6.232 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 7.006 4.102 -6.173 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 6.056 3.847 -4.790 1.00 10.00 H new ATOM 1045 N ARG A 65 9.047 7.305 -0.744 1.00 10.00 N ATOM 1046 CA ARG A 65 10.445 7.402 -0.309 1.00 10.00 C ATOM 1047 C ARG A 65 11.199 8.502 -1.046 1.00 10.00 C ATOM 1048 O ARG A 65 12.280 8.909 -0.628 1.00 10.00 O ATOM 1049 CB ARG A 65 11.161 6.062 -0.514 1.00 10.00 C ATOM 1050 CG ARG A 65 11.023 5.485 -1.918 1.00 10.00 C ATOM 1051 CD ARG A 65 11.275 3.985 -1.941 1.00 10.00 C ATOM 1052 NE ARG A 65 12.692 3.658 -2.139 1.00 10.00 N ATOM 1053 CZ ARG A 65 13.241 2.481 -1.805 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.501 1.553 -1.203 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.530 2.238 -2.066 1.00 10.00 N ATOM 0 H ARG A 65 8.811 6.407 -1.165 1.00 10.00 H new ATOM 0 HA ARG A 65 10.434 7.655 0.751 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.220 6.191 -0.289 1.00 10.00 H new ATOM 0 HB3 ARG A 65 10.769 5.341 0.203 1.00 10.00 H new ATOM 0 HG2 ARG A 65 10.023 5.691 -2.299 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.727 5.982 -2.586 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.932 3.547 -1.004 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.686 3.533 -2.739 1.00 10.00 H new ATOM 0 HE ARG A 65 13.295 4.368 -2.555 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.519 1.738 -0.997 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.916 0.657 -0.948 1.00 10.00 H new ATOM 0 HH21 ARG A 65 15.101 2.950 -2.521 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.942 1.341 -1.810 1.00 10.00 H new ATOM 1069 N GLU A 66 10.618 8.974 -2.136 1.00 10.00 N ATOM 1070 CA GLU A 66 11.210 10.036 -2.942 1.00 10.00 C ATOM 1071 C GLU A 66 10.862 11.399 -2.338 1.00 10.00 C ATOM 1072 O GLU A 66 11.113 12.443 -2.939 1.00 10.00 O ATOM 1073 CB GLU A 66 10.752 9.924 -4.411 1.00 10.00 C ATOM 1074 CG GLU A 66 10.897 8.515 -4.972 1.00 10.00 C ATOM 1075 CD GLU A 66 10.132 8.301 -6.265 1.00 10.00 C ATOM 1076 OE1 GLU A 66 8.885 8.337 -6.237 1.00 10.00 O ATOM 1077 OE2 GLU A 66 10.774 8.069 -7.310 1.00 10.00 O ATOM 0 H GLU A 66 9.724 8.634 -2.489 1.00 10.00 H new ATOM 0 HA GLU A 66 12.295 9.931 -2.936 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.710 10.234 -4.486 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.334 10.614 -5.021 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.953 8.307 -5.144 1.00 10.00 H new ATOM 0 HG3 GLU A 66 10.548 7.798 -4.229 1.00 10.00 H new ATOM 1084 N SER A 67 10.251 11.362 -1.151 1.00 10.00 N ATOM 1085 CA SER A 67 9.840 12.561 -0.433 1.00 10.00 C ATOM 1086 C SER A 67 11.057 13.351 0.087 1.00 10.00 C ATOM 1087 O SER A 67 11.778 13.979 -0.694 1.00 10.00 O ATOM 1088 CB SER A 67 8.888 12.141 0.705 1.00 10.00 C ATOM 1089 OG SER A 67 8.678 13.160 1.665 1.00 10.00 O ATOM 0 H SER A 67 10.029 10.494 -0.663 1.00 10.00 H new ATOM 0 HA SER A 67 9.314 13.236 -1.108 1.00 10.00 H new ATOM 0 HB2 SER A 67 7.928 11.851 0.278 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.294 11.261 1.203 1.00 10.00 H new ATOM 0 HG SER A 67 8.732 12.777 2.566 1.00 10.00 H new ATOM 1095 N ASN A 68 11.274 13.332 1.397 1.00 10.00 N ATOM 1096 CA ASN A 68 12.385 14.054 2.003 1.00 10.00 C ATOM 1097 C ASN A 68 13.547 13.126 2.340 1.00 10.00 C ATOM 1098 O ASN A 68 14.577 13.151 1.667 1.00 10.00 O ATOM 1099 CB ASN A 68 11.918 14.798 3.258 1.00 10.00 C ATOM 1100 CG ASN A 68 11.489 16.220 2.966 1.00 10.00 C ATOM 1101 OD1 ASN A 68 10.978 16.519 1.886 1.00 10.00 O ATOM 1102 ND2 ASN A 68 11.694 17.107 3.924 1.00 10.00 N ATOM 0 H ASN A 68 10.692 12.822 2.062 1.00 10.00 H new ATOM 0 HA ASN A 68 12.743 14.779 1.272 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.086 14.257 3.708 1.00 10.00 H new ATOM 0 HB3 ASN A 68 12.725 14.809 3.991 1.00 10.00 H new ATOM 0 HD21 ASN A 68 11.426 18.081 3.783 1.00 10.00 H new ATOM 0 HD22 ASN A 68 12.120 16.818 4.804 1.00 10.00 H new ATOM 1109 N ASN A 69 13.378 12.307 3.375 1.00 10.00 N ATOM 1110 CA ASN A 69 14.432 11.386 3.799 1.00 10.00 C ATOM 1111 C ASN A 69 14.267 10.016 3.150 1.00 10.00 C ATOM 1112 O ASN A 69 15.035 9.644 2.264 1.00 10.00 O ATOM 1113 CB ASN A 69 14.435 11.241 5.333 1.00 10.00 C ATOM 1114 CG ASN A 69 15.277 10.070 5.835 1.00 10.00 C ATOM 1115 OD1 ASN A 69 16.341 9.769 5.294 1.00 10.00 O ATOM 1116 ND2 ASN A 69 14.795 9.398 6.873 1.00 10.00 N ATOM 0 H ASN A 69 12.526 12.261 3.934 1.00 10.00 H new ATOM 0 HA ASN A 69 15.385 11.804 3.476 1.00 10.00 H new ATOM 0 HB2 ASN A 69 14.810 12.164 5.776 1.00 10.00 H new ATOM 0 HB3 ASN A 69 13.409 11.115 5.680 1.00 10.00 H new ATOM 0 HD21 ASN A 69 15.310 8.602 7.249 1.00 10.00 H new ATOM 0 HD22 ASN A 69 13.909 9.678 7.295 1.00 10.00 H new ATOM 1123 N LYS A 70 13.262 9.267 3.582 1.00 10.00 N ATOM 1124 CA LYS A 70 13.040 7.938 3.033 1.00 10.00 C ATOM 1125 C LYS A 70 11.557 7.593 2.969 1.00 10.00 C ATOM 1126 O LYS A 70 11.191 6.504 2.537 1.00 10.00 O ATOM 1127 CB LYS A 70 13.793 6.893 3.868 1.00 10.00 C ATOM 1128 CG LYS A 70 14.362 5.742 3.043 1.00 10.00 C ATOM 1129 CD LYS A 70 15.492 6.197 2.126 1.00 10.00 C ATOM 1130 CE LYS A 70 16.745 6.562 2.911 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.781 7.181 2.044 1.00 10.00 N ATOM 0 H LYS A 70 12.596 9.552 4.301 1.00 10.00 H new ATOM 0 HA LYS A 70 13.423 7.931 2.013 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.608 7.384 4.400 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.118 6.489 4.622 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.730 4.964 3.712 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.567 5.298 2.444 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.726 5.404 1.416 1.00 10.00 H new ATOM 0 HD3 LYS A 70 15.164 7.058 1.544 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.483 7.252 3.713 1.00 10.00 H new ATOM 0 HE3 LYS A 70 17.152 5.667 3.381 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.618 7.415 2.616 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 18.050 6.513 1.294 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.401 8.049 1.615 1.00 10.00 H new ATOM 1145 N LEU A 71 10.701 8.516 3.390 1.00 10.00 N ATOM 1146 CA LEU A 71 9.267 8.269 3.369 1.00 10.00 C ATOM 1147 C LEU A 71 8.483 9.572 3.266 1.00 10.00 C ATOM 1148 O LEU A 71 9.072 10.655 3.221 1.00 10.00 O ATOM 1149 CB LEU A 71 8.839 7.491 4.621 1.00 10.00 C ATOM 1150 CG LEU A 71 8.119 6.158 4.369 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.810 6.115 5.131 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.864 5.933 2.885 1.00 10.00 C ATOM 0 H LEU A 71 10.972 9.433 3.746 1.00 10.00 H new ATOM 0 HA LEU A 71 9.045 7.670 2.486 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.726 7.295 5.224 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.184 8.129 5.215 1.00 10.00 H new ATOM 0 HG LEU A 71 8.769 5.359 4.725 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.311 5.165 4.943 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.007 6.217 6.198 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.170 6.933 4.801 1.00 10.00 H new ATOM 0 HD21 LEU A 71 7.353 4.981 2.744 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.242 6.739 2.496 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.814 5.918 2.351 1.00 10.00 H new ATOM 1164 N LEU A 72 7.156 9.449 3.241 1.00 10.00 N ATOM 1165 CA LEU A 72 6.260 10.598 3.127 1.00 10.00 C ATOM 1166 C LEU A 72 6.422 11.550 4.296 1.00 10.00 C ATOM 1167 O LEU A 72 7.034 11.218 5.315 1.00 10.00 O ATOM 1168 CB LEU A 72 4.789 10.166 3.076 1.00 10.00 C ATOM 1169 CG LEU A 72 4.516 8.681 2.803 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.148 7.972 4.090 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.398 8.514 1.788 1.00 10.00 C ATOM 0 H LEU A 72 6.674 8.552 3.299 1.00 10.00 H new ATOM 0 HA LEU A 72 6.532 11.099 2.198 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.324 10.428 4.026 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.289 10.751 2.304 1.00 10.00 H new ATOM 0 HG LEU A 72 5.425 8.239 2.395 1.00 10.00 H new ATOM 0 HD11 LEU A 72 3.957 6.919 3.883 1.00 10.00 H new ATOM 0 HD12 LEU A 72 4.970 8.059 4.801 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.253 8.427 4.513 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.223 7.453 1.611 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.487 8.973 2.171 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.681 8.996 0.852 1.00 10.00 H new ATOM 1183 N LYS A 73 5.838 12.725 4.152 1.00 10.00 N ATOM 1184 CA LYS A 73 5.893 13.726 5.193 1.00 10.00 C ATOM 1185 C LYS A 73 4.836 13.422 6.231 1.00 10.00 C ATOM 1186 O LYS A 73 3.661 13.289 5.909 1.00 10.00 O ATOM 1187 CB LYS A 73 5.708 15.157 4.657 1.00 10.00 C ATOM 1188 CG LYS A 73 5.071 15.272 3.274 1.00 10.00 C ATOM 1189 CD LYS A 73 6.052 14.976 2.142 1.00 10.00 C ATOM 1190 CE LYS A 73 7.356 15.742 2.279 1.00 10.00 C ATOM 1191 NZ LYS A 73 7.906 16.150 0.959 1.00 10.00 N ATOM 0 H LYS A 73 5.319 13.007 3.320 1.00 10.00 H new ATOM 0 HA LYS A 73 6.888 13.684 5.637 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.095 15.714 5.366 1.00 10.00 H new ATOM 0 HB3 LYS A 73 6.683 15.643 4.628 1.00 10.00 H new ATOM 0 HG2 LYS A 73 4.230 14.582 3.209 1.00 10.00 H new ATOM 0 HG3 LYS A 73 4.670 16.277 3.147 1.00 10.00 H new ATOM 0 HD2 LYS A 73 6.264 13.907 2.121 1.00 10.00 H new ATOM 0 HD3 LYS A 73 5.587 15.227 1.189 1.00 10.00 H new ATOM 0 HE2 LYS A 73 7.193 16.628 2.893 1.00 10.00 H new ATOM 0 HE3 LYS A 73 8.086 15.123 2.800 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 8.941 16.225 1.022 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 7.653 15.439 0.243 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.508 17.072 0.687 1.00 10.00 H new ATOM 1205 N GLU A 74 5.275 13.258 7.465 1.00 10.00 N ATOM 1206 CA GLU A 74 4.380 12.974 8.586 1.00 10.00 C ATOM 1207 C GLU A 74 3.267 14.018 8.685 1.00 10.00 C ATOM 1208 O GLU A 74 2.221 13.780 9.283 1.00 10.00 O ATOM 1209 CB GLU A 74 5.157 12.913 9.905 1.00 10.00 C ATOM 1210 CG GLU A 74 5.605 14.267 10.437 1.00 10.00 C ATOM 1211 CD GLU A 74 6.633 14.942 9.555 1.00 10.00 C ATOM 1212 OE1 GLU A 74 7.787 14.472 9.508 1.00 10.00 O ATOM 1213 OE2 GLU A 74 6.290 15.954 8.911 1.00 10.00 O ATOM 0 H GLU A 74 6.260 13.317 7.725 1.00 10.00 H new ATOM 0 HA GLU A 74 3.925 12.001 8.401 1.00 10.00 H new ATOM 0 HB2 GLU A 74 4.534 12.429 10.657 1.00 10.00 H new ATOM 0 HB3 GLU A 74 6.035 12.283 9.766 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.736 14.918 10.535 1.00 10.00 H new ATOM 0 HG3 GLU A 74 6.021 14.138 11.436 1.00 10.00 H new ATOM 1220 N ASN A 75 3.521 15.180 8.108 1.00 10.00 N ATOM 1221 CA ASN A 75 2.562 16.274 8.091 1.00 10.00 C ATOM 1222 C ASN A 75 1.644 16.202 6.877 1.00 10.00 C ATOM 1223 O ASN A 75 0.917 17.151 6.581 1.00 10.00 O ATOM 1224 CB ASN A 75 3.299 17.606 8.077 1.00 10.00 C ATOM 1225 CG ASN A 75 3.216 18.322 9.405 1.00 10.00 C ATOM 1226 OD1 ASN A 75 3.142 17.555 10.479 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 3.226 19.553 9.462 1.00 10.00 N flip ATOM 0 H ASN A 75 4.400 15.393 7.637 1.00 10.00 H new ATOM 0 HA ASN A 75 1.950 16.188 8.989 1.00 10.00 H new ATOM 0 HB2 ASN A 75 4.345 17.437 7.823 1.00 10.00 H new ATOM 0 HB3 ASN A 75 2.880 18.242 7.297 1.00 10.00 H new ATOM 0 HD21 ASN A 75 3.284 20.103 8.605 1.00 10.00 H new ATOM 0 HD22 ASN A 75 3.176 20.022 10.366 1.00 10.00 H new ATOM 1234 N ALA A 76 1.682 15.091 6.165 1.00 10.00 N ATOM 1235 CA ALA A 76 0.849 14.933 4.978 1.00 10.00 C ATOM 1236 C ALA A 76 0.048 13.637 4.985 1.00 10.00 C ATOM 1237 O ALA A 76 0.592 12.547 5.154 1.00 10.00 O ATOM 1238 CB ALA A 76 1.707 15.025 3.723 1.00 10.00 C ATOM 0 H ALA A 76 2.274 14.289 6.382 1.00 10.00 H new ATOM 0 HA ALA A 76 0.123 15.746 4.985 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.077 14.906 2.842 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.199 15.997 3.689 1.00 10.00 H new ATOM 0 HB3 ALA A 76 2.461 14.238 3.739 1.00 10.00 H new ATOM 1244 N VAL A 77 -1.253 13.780 4.784 1.00 10.00 N ATOM 1245 CA VAL A 77 -2.165 12.650 4.742 1.00 10.00 C ATOM 1246 C VAL A 77 -3.119 12.817 3.550 1.00 10.00 C ATOM 1247 O VAL A 77 -3.577 13.927 3.271 1.00 10.00 O ATOM 1248 CB VAL A 77 -2.936 12.495 6.088 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -3.293 13.838 6.699 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -4.188 11.649 5.926 1.00 10.00 C ATOM 0 H VAL A 77 -1.705 14.684 4.645 1.00 10.00 H new ATOM 0 HA VAL A 77 -1.595 11.731 4.606 1.00 10.00 H new ATOM 0 HB VAL A 77 -2.258 11.982 6.770 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -3.829 13.681 7.635 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -2.381 14.403 6.893 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -3.925 14.396 6.008 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -4.697 11.565 6.886 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -4.854 12.119 5.202 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.912 10.655 5.573 1.00 10.00 H new ATOM 1260 N PRO A 78 -3.378 11.721 2.812 1.00 10.00 N ATOM 1261 CA PRO A 78 -4.243 11.702 1.620 1.00 10.00 C ATOM 1262 C PRO A 78 -5.599 12.374 1.828 1.00 10.00 C ATOM 1263 O PRO A 78 -6.523 11.782 2.382 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.434 10.202 1.332 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.904 9.494 2.523 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.844 10.390 3.084 1.00 10.00 C ATOM 0 HA PRO A 78 -3.787 12.263 0.805 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.486 9.965 1.171 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.899 9.905 0.430 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.692 9.313 3.254 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.492 8.522 2.251 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -2.695 10.223 4.151 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.881 10.232 2.599 1.00 10.00 H new ATOM 1274 N THR A 79 -5.705 13.611 1.368 1.00 10.00 N ATOM 1275 CA THR A 79 -6.935 14.376 1.476 1.00 10.00 C ATOM 1276 C THR A 79 -7.671 14.368 0.141 1.00 10.00 C ATOM 1277 O THR A 79 -8.863 14.667 0.060 1.00 10.00 O ATOM 1278 CB THR A 79 -6.640 15.829 1.919 1.00 10.00 C ATOM 1279 OG1 THR A 79 -7.846 16.488 2.338 1.00 10.00 O ATOM 1280 CG2 THR A 79 -5.980 16.629 0.801 1.00 10.00 C ATOM 0 H THR A 79 -4.942 14.111 0.911 1.00 10.00 H new ATOM 0 HA THR A 79 -7.567 13.912 2.233 1.00 10.00 H new ATOM 0 HB THR A 79 -5.949 15.778 2.761 1.00 10.00 H new ATOM 0 HG1 THR A 79 -8.597 16.173 1.793 1.00 10.00 H new ATOM 0 HG21 THR A 79 -5.787 17.645 1.146 1.00 10.00 H new ATOM 0 HG22 THR A 79 -5.039 16.155 0.521 1.00 10.00 H new ATOM 0 HG23 THR A 79 -6.642 16.659 -0.064 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.942 13.977 -0.899 1.00 10.00 N ATOM 1289 CA ILE A 80 -7.473 13.925 -2.258 1.00 10.00 C ATOM 1290 C ILE A 80 -8.371 12.694 -2.466 1.00 10.00 C ATOM 1291 O ILE A 80 -8.796 12.415 -3.585 1.00 10.00 O ATOM 1292 CB ILE A 80 -6.344 13.907 -3.320 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -5.077 14.627 -2.810 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.836 14.522 -4.626 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.925 16.066 -3.271 1.00 10.00 C ATOM 0 H ILE A 80 -5.967 13.687 -0.824 1.00 10.00 H new ATOM 0 HA ILE A 80 -8.066 14.831 -2.387 1.00 10.00 H new ATOM 0 HB ILE A 80 -6.072 12.868 -3.508 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -5.082 14.609 -1.720 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -4.202 14.063 -3.134 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -6.033 14.503 -5.363 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.685 13.950 -5.000 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -7.142 15.553 -4.450 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -4.006 16.484 -2.861 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.883 16.097 -4.360 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.777 16.651 -2.924 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.625 11.944 -1.384 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.460 10.736 -1.434 1.00 10.00 C ATOM 1309 C PHE A 81 -10.740 10.952 -2.228 1.00 10.00 C ATOM 1310 O PHE A 81 -10.988 10.247 -3.205 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.827 10.268 -0.021 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.821 9.351 0.633 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.746 8.827 -0.072 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.961 9.010 1.967 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.839 7.985 0.541 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.054 8.168 2.585 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.993 7.656 1.870 1.00 10.00 C ATOM 0 H PHE A 81 -8.260 12.156 -0.455 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.866 9.973 -1.937 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.961 11.145 0.612 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.788 9.756 -0.063 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.617 9.081 -1.114 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.790 9.407 2.534 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -6.009 7.584 -0.022 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.177 7.912 3.627 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.284 6.998 2.350 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.542 11.919 -1.806 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.808 12.219 -2.463 1.00 10.00 C ATOM 1329 C LEU A 82 -13.302 13.588 -2.025 1.00 10.00 C ATOM 1330 O LEU A 82 -12.820 14.135 -1.035 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.854 11.160 -2.091 1.00 10.00 C ATOM 1332 CG LEU A 82 -14.479 10.357 -3.247 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.962 10.670 -3.374 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.773 10.614 -4.573 1.00 10.00 C ATOM 0 H LEU A 82 -11.336 12.515 -1.004 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.656 12.214 -3.542 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.391 10.455 -1.400 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.659 11.655 -1.549 1.00 10.00 H new ATOM 0 HG LEU A 82 -14.354 9.301 -3.008 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -16.386 10.093 -4.196 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -16.470 10.407 -2.446 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -16.094 11.734 -3.571 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -14.248 10.026 -5.358 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.840 11.673 -4.821 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.725 10.327 -4.489 1.00 10.00 H new