USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=28 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 21 SER OG : rot 180:sc= -0.201 USER MOD Set 1.2: A 23 HIS :FLIP no HE2:sc= -4.25 F(o=-9!,f=-4.5) USER MOD Set 2.1: A 5 CYS SG : rot 115:sc= 2.84 USER MOD Set 2.2: A 10 CYS SG : rot 172:sc= -0.0272! USER MOD Set 2.3: A 12 ASN : amide:sc= 0.478 K(o=-4.5,f=-6.7) USER MOD Set 2.4: A 54 CYS SG : rot -100:sc= -6.23! USER MOD Set 2.5: A 57 HIS : no HD1:sc= -1.56 K(o=-4.5,f=-16!) USER MOD Single : A 6 SER OG : rot 160:sc= 0.0457 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 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+ -152:sc= 1.32 (180deg=1.12) USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= 0.548 (180deg=0.0655) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -140:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.111 USER MOD Single : A 33 CYS SG : rot 6:sc= -4.35! USER MOD Single : A 34 LYS NZ :NH3+ 145:sc= -0.214 (180deg=-1.47!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0409 K(o=-0.041,f=-3.6!) USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.0126 (180deg=-0.351) USER MOD Single : A 48 THR OG1 : rot -170:sc=-0.00166 USER MOD Single : A 49 LYS NZ :NH3+ -117:sc= 0.831 (180deg=0.64) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -8:sc= -2.14! USER MOD Single : A 52 SER OG : rot 180:sc= 0.028 USER MOD Single : A 55 SER OG : rot 100:sc= -1.14 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0651 USER MOD Single : A 62 SER OG : rot -150:sc= -1.4 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -160:sc= -1.75 USER MOD Single : A 68 ASN : amide:sc=-0.00581 K(o=-0.0058,f=-2!) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.2 F(o=-0.83,f=-0.2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= 0.453 (180deg=0.179) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0894 F(o=-1.3,f=-0.089) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N CYS A 5 -8.700 1.654 -4.082 1.00 10.00 N ATOM 65 CA CYS A 5 -7.870 2.352 -3.112 1.00 10.00 C ATOM 66 C CYS A 5 -8.607 2.489 -1.786 1.00 10.00 C ATOM 67 O CYS A 5 -9.788 2.155 -1.692 1.00 10.00 O ATOM 68 CB CYS A 5 -7.497 3.734 -3.650 1.00 10.00 C ATOM 69 SG CYS A 5 -7.113 3.749 -5.412 1.00 10.00 S ATOM 0 HA CYS A 5 -6.960 1.775 -2.946 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -8.321 4.422 -3.461 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.636 4.109 -3.097 1.00 10.00 H new ATOM 0 HG CYS A 5 -7.995 4.467 -6.042 1.00 10.00 H new ATOM 74 N SER A 6 -7.908 2.985 -0.774 1.00 10.00 N ATOM 75 CA SER A 6 -8.476 3.154 0.560 1.00 10.00 C ATOM 76 C SER A 6 -9.429 4.346 0.622 1.00 10.00 C ATOM 77 O SER A 6 -9.949 4.685 1.683 1.00 10.00 O ATOM 78 CB SER A 6 -7.339 3.332 1.564 1.00 10.00 C ATOM 79 OG SER A 6 -6.216 3.939 0.944 1.00 10.00 O ATOM 0 H SER A 6 -6.935 3.281 -0.852 1.00 10.00 H new ATOM 0 HA SER A 6 -9.056 2.265 0.806 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.677 3.946 2.399 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.055 2.363 1.975 1.00 10.00 H new ATOM 0 HG SER A 6 -5.638 4.334 1.629 1.00 10.00 H new ATOM 85 N ALA A 7 -9.649 4.982 -0.522 1.00 10.00 N ATOM 86 CA ALA A 7 -10.537 6.128 -0.599 1.00 10.00 C ATOM 87 C ALA A 7 -11.994 5.682 -0.639 1.00 10.00 C ATOM 88 O ALA A 7 -12.298 4.495 -0.527 1.00 10.00 O ATOM 89 CB ALA A 7 -10.205 6.971 -1.818 1.00 10.00 C ATOM 0 H ALA A 7 -9.222 4.720 -1.410 1.00 10.00 H new ATOM 0 HA ALA A 7 -10.392 6.735 0.295 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.879 7.827 -1.863 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -9.176 7.323 -1.748 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.322 6.369 -2.719 1.00 10.00 H new ATOM 95 N TYR A 8 -12.888 6.633 -0.843 1.00 10.00 N ATOM 96 CA TYR A 8 -14.307 6.343 -0.877 1.00 10.00 C ATOM 97 C TYR A 8 -14.829 6.366 -2.313 1.00 10.00 C ATOM 98 O TYR A 8 -15.292 7.395 -2.805 1.00 10.00 O ATOM 99 CB TYR A 8 -15.049 7.359 0.009 1.00 10.00 C ATOM 100 CG TYR A 8 -16.564 7.258 -0.005 1.00 10.00 C ATOM 101 CD1 TYR A 8 -17.220 6.074 -0.330 1.00 10.00 C ATOM 102 CD2 TYR A 8 -17.338 8.366 0.319 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.600 6.001 -0.338 1.00 10.00 C ATOM 104 CE2 TYR A 8 -18.719 8.300 0.314 1.00 10.00 C ATOM 105 CZ TYR A 8 -19.344 7.115 -0.017 1.00 10.00 C ATOM 106 OH TYR A 8 -20.719 7.043 -0.025 1.00 10.00 O ATOM 0 H TYR A 8 -12.654 7.615 -0.988 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.485 5.341 -0.487 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -14.704 7.239 1.036 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.767 8.363 -0.306 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.641 5.198 -0.580 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -16.852 9.295 0.579 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -19.093 5.075 -0.595 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -19.305 9.171 0.568 1.00 10.00 H new ATOM 0 HH TYR A 8 -21.094 7.913 0.225 1.00 10.00 H new ATOM 116 N GLY A 9 -14.714 5.227 -2.991 1.00 10.00 N ATOM 117 CA GLY A 9 -15.213 5.118 -4.349 1.00 10.00 C ATOM 118 C GLY A 9 -14.125 5.084 -5.409 1.00 10.00 C ATOM 119 O GLY A 9 -14.422 5.017 -6.602 1.00 10.00 O ATOM 0 H GLY A 9 -14.284 4.378 -2.623 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.815 4.213 -4.432 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.875 5.960 -4.550 1.00 10.00 H new ATOM 123 N CYS A 10 -12.866 5.115 -4.992 1.00 10.00 N ATOM 124 CA CYS A 10 -11.762 5.094 -5.943 1.00 10.00 C ATOM 125 C CYS A 10 -11.426 3.671 -6.392 1.00 10.00 C ATOM 126 O CYS A 10 -10.426 3.094 -5.959 1.00 10.00 O ATOM 127 CB CYS A 10 -10.512 5.779 -5.377 1.00 10.00 C ATOM 128 SG CYS A 10 -9.214 6.039 -6.607 1.00 10.00 S ATOM 0 H CYS A 10 -12.585 5.154 -4.012 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.094 5.656 -6.816 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.796 6.741 -4.951 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.114 5.175 -4.562 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.266 6.764 -6.091 1.00 10.00 H new ATOM 133 N LYS A 11 -12.288 3.092 -7.224 1.00 10.00 N ATOM 134 CA LYS A 11 -12.058 1.750 -7.758 1.00 10.00 C ATOM 135 C LYS A 11 -11.208 1.849 -9.023 1.00 10.00 C ATOM 136 O LYS A 11 -11.415 1.130 -10.002 1.00 10.00 O ATOM 137 CB LYS A 11 -13.385 1.040 -8.049 1.00 10.00 C ATOM 138 CG LYS A 11 -13.501 -0.319 -7.374 1.00 10.00 C ATOM 139 CD LYS A 11 -14.764 -1.058 -7.786 1.00 10.00 C ATOM 140 CE LYS A 11 -14.934 -2.344 -6.989 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.290 -2.930 -7.141 1.00 10.00 N ATOM 0 H LYS A 11 -13.152 3.530 -7.544 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.526 1.158 -7.013 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -14.208 1.674 -7.719 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.493 0.913 -9.126 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -12.630 -0.924 -7.626 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -13.496 -0.187 -6.292 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -15.631 -0.415 -7.633 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -14.722 -1.289 -8.850 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -14.189 -3.070 -7.314 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -14.745 -2.142 -5.935 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -16.356 -3.803 -6.580 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -17.002 -2.249 -6.807 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -16.463 -3.149 -8.143 1.00 10.00 H new ATOM 155 N ASN A 12 -10.230 2.745 -8.959 1.00 10.00 N ATOM 156 CA ASN A 12 -9.302 3.019 -10.059 1.00 10.00 C ATOM 157 C ASN A 12 -8.218 1.960 -10.142 1.00 10.00 C ATOM 158 O ASN A 12 -7.028 2.286 -10.161 1.00 10.00 O ATOM 159 CB ASN A 12 -8.636 4.370 -9.858 1.00 10.00 C ATOM 160 CG ASN A 12 -9.597 5.541 -10.009 1.00 10.00 C ATOM 161 OD1 ASN A 12 -10.806 5.358 -10.139 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.074 6.758 -9.992 1.00 10.00 N ATOM 0 H ASN A 12 -10.054 3.312 -8.130 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.881 3.014 -10.983 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -8.187 4.402 -8.865 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -7.825 4.479 -10.578 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -9.678 7.574 -10.088 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -8.067 6.879 -9.883 1.00 10.00 H new ATOM 169 N ARG A 13 -8.650 0.710 -10.111 1.00 10.00 N ATOM 170 CA ARG A 13 -7.764 -0.457 -10.215 1.00 10.00 C ATOM 171 C ARG A 13 -6.632 -0.152 -11.198 1.00 10.00 C ATOM 172 O ARG A 13 -6.901 0.365 -12.284 1.00 10.00 O ATOM 173 CB ARG A 13 -8.555 -1.678 -10.716 1.00 10.00 C ATOM 174 CG ARG A 13 -8.096 -3.036 -10.171 1.00 10.00 C ATOM 175 CD ARG A 13 -6.586 -3.230 -10.275 1.00 10.00 C ATOM 176 NE ARG A 13 -6.171 -4.593 -9.935 1.00 10.00 N ATOM 177 CZ ARG A 13 -4.982 -5.117 -10.250 1.00 10.00 C ATOM 178 NH1 ARG A 13 -4.106 -4.419 -10.970 1.00 10.00 N ATOM 179 NH2 ARG A 13 -4.675 -6.345 -9.852 1.00 10.00 N ATOM 0 H ARG A 13 -9.635 0.465 -10.012 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.350 -0.677 -9.231 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.605 -1.539 -10.457 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.496 -1.705 -11.804 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.399 -3.126 -9.128 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -8.600 -3.832 -10.719 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.262 -2.997 -11.289 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.086 -2.525 -9.611 1.00 10.00 H new ATOM 0 HE ARG A 13 -6.831 -5.180 -9.425 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -4.340 -3.478 -11.285 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -3.201 -4.826 -11.206 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -5.345 -6.887 -9.307 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -3.769 -6.747 -10.091 1.00 10.00 H new ATOM 193 N TYR A 14 -5.390 -0.462 -10.793 1.00 10.00 N ATOM 194 CA TYR A 14 -4.180 -0.209 -11.599 1.00 10.00 C ATOM 195 C TYR A 14 -4.465 -0.202 -13.094 1.00 10.00 C ATOM 196 O TYR A 14 -4.683 -1.245 -13.716 1.00 10.00 O ATOM 197 CB TYR A 14 -3.110 -1.267 -11.317 1.00 10.00 C ATOM 198 CG TYR A 14 -1.708 -0.713 -11.135 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.126 0.131 -12.081 1.00 10.00 C ATOM 200 CD2 TYR A 14 -0.962 -1.042 -10.011 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.154 0.624 -11.903 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.317 -0.552 -9.829 1.00 10.00 C ATOM 203 CZ TYR A 14 0.870 0.280 -10.776 1.00 10.00 C ATOM 204 OH TYR A 14 2.144 0.773 -10.596 1.00 10.00 O ATOM 0 H TYR A 14 -5.194 -0.898 -9.892 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.825 0.780 -11.309 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.389 -1.817 -10.418 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.100 -1.983 -12.139 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.683 0.403 -12.965 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.390 -1.694 -9.264 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.591 1.276 -12.644 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.880 -0.821 -8.948 1.00 10.00 H new ATOM 0 HH TYR A 14 2.509 0.436 -9.751 1.00 10.00 H new ATOM 214 N ASP A 15 -4.450 0.988 -13.652 1.00 10.00 N ATOM 215 CA ASP A 15 -4.684 1.188 -15.062 1.00 10.00 C ATOM 216 C ASP A 15 -3.542 2.007 -15.614 1.00 10.00 C ATOM 217 O ASP A 15 -3.442 3.204 -15.367 1.00 10.00 O ATOM 218 CB ASP A 15 -6.033 1.875 -15.291 1.00 10.00 C ATOM 219 CG ASP A 15 -6.154 2.509 -16.659 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.700 1.900 -17.649 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.736 3.615 -16.746 1.00 10.00 O ATOM 0 H ASP A 15 -4.274 1.849 -13.135 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.726 0.230 -15.581 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.832 1.144 -15.164 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -6.178 2.641 -14.529 1.00 10.00 H new ATOM 226 N LYS A 16 -2.671 1.321 -16.323 1.00 10.00 N ATOM 227 CA LYS A 16 -1.486 1.912 -16.921 1.00 10.00 C ATOM 228 C LYS A 16 -1.824 3.083 -17.847 1.00 10.00 C ATOM 229 O LYS A 16 -1.001 3.981 -18.056 1.00 10.00 O ATOM 230 CB LYS A 16 -0.745 0.815 -17.673 1.00 10.00 C ATOM 231 CG LYS A 16 -1.277 0.560 -19.078 1.00 10.00 C ATOM 232 CD LYS A 16 -2.346 -0.521 -19.080 1.00 10.00 C ATOM 233 CE LYS A 16 -2.740 -0.911 -20.494 1.00 10.00 C ATOM 234 NZ LYS A 16 -4.206 -0.798 -20.712 1.00 10.00 N ATOM 0 H LYS A 16 -2.765 0.322 -16.505 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.856 2.327 -16.134 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.310 1.082 -17.738 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.806 -0.110 -17.099 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.690 1.483 -19.485 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.456 0.263 -19.731 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.978 -1.399 -18.548 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.225 -0.166 -18.541 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -2.217 -0.272 -21.206 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -2.422 -1.935 -20.690 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -4.501 -1.474 -21.445 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -4.706 -1.009 -19.825 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -4.438 0.168 -21.019 1.00 10.00 H new ATOM 248 N ASP A 17 -3.029 3.064 -18.400 1.00 10.00 N ATOM 249 CA ASP A 17 -3.481 4.128 -19.288 1.00 10.00 C ATOM 250 C ASP A 17 -3.642 5.424 -18.506 1.00 10.00 C ATOM 251 O ASP A 17 -3.464 6.516 -19.043 1.00 10.00 O ATOM 252 CB ASP A 17 -4.811 3.764 -19.944 1.00 10.00 C ATOM 253 CG ASP A 17 -4.640 2.911 -21.180 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.162 3.438 -22.206 1.00 10.00 O ATOM 255 OD2 ASP A 17 -4.999 1.715 -21.137 1.00 10.00 O ATOM 0 H ASP A 17 -3.713 2.322 -18.249 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.731 4.259 -20.068 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.433 3.232 -19.224 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.342 4.678 -20.209 1.00 10.00 H new ATOM 260 N LYS A 18 -3.991 5.283 -17.235 1.00 10.00 N ATOM 261 CA LYS A 18 -4.176 6.418 -16.347 1.00 10.00 C ATOM 262 C LYS A 18 -2.866 6.689 -15.599 1.00 10.00 C ATOM 263 O LYS A 18 -2.122 5.757 -15.283 1.00 10.00 O ATOM 264 CB LYS A 18 -5.344 6.141 -15.383 1.00 10.00 C ATOM 265 CG LYS A 18 -4.928 5.768 -13.971 1.00 10.00 C ATOM 266 CD LYS A 18 -6.066 5.130 -13.172 1.00 10.00 C ATOM 267 CE LYS A 18 -7.444 5.636 -13.597 1.00 10.00 C ATOM 268 NZ LYS A 18 -8.135 4.694 -14.522 1.00 10.00 N ATOM 0 H LYS A 18 -4.153 4.379 -16.792 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.430 7.310 -16.919 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.978 7.027 -15.338 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.952 5.334 -15.793 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -4.087 5.076 -14.015 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.580 6.660 -13.451 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.028 4.048 -13.295 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.919 5.336 -12.112 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.061 5.789 -12.711 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.338 6.606 -14.083 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.857 5.208 -15.066 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.441 4.277 -15.175 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.590 3.938 -13.972 1.00 10.00 H new ATOM 282 N PRO A 19 -2.545 7.956 -15.318 1.00 10.00 N ATOM 283 CA PRO A 19 -1.296 8.306 -14.643 1.00 10.00 C ATOM 284 C PRO A 19 -1.354 8.200 -13.117 1.00 10.00 C ATOM 285 O PRO A 19 -1.467 9.206 -12.413 1.00 10.00 O ATOM 286 CB PRO A 19 -1.089 9.755 -15.078 1.00 10.00 C ATOM 287 CG PRO A 19 -2.464 10.308 -15.259 1.00 10.00 C ATOM 288 CD PRO A 19 -3.354 9.150 -15.644 1.00 10.00 C ATOM 0 HA PRO A 19 -0.489 7.623 -14.910 1.00 10.00 H new ATOM 0 HB2 PRO A 19 -0.534 10.317 -14.326 1.00 10.00 H new ATOM 0 HB3 PRO A 19 -0.517 9.811 -16.004 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -2.816 10.777 -14.340 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -2.473 11.076 -16.032 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -4.290 9.163 -15.086 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.613 9.180 -16.702 1.00 10.00 H new ATOM 296 N VAL A 20 -1.273 6.976 -12.607 1.00 10.00 N ATOM 297 CA VAL A 20 -1.262 6.743 -11.167 1.00 10.00 C ATOM 298 C VAL A 20 -0.375 5.545 -10.845 1.00 10.00 C ATOM 299 O VAL A 20 -0.274 4.596 -11.629 1.00 10.00 O ATOM 300 CB VAL A 20 -2.671 6.514 -10.533 1.00 10.00 C ATOM 301 CG1 VAL A 20 -3.696 7.525 -11.025 1.00 10.00 C ATOM 302 CG2 VAL A 20 -3.163 5.093 -10.755 1.00 10.00 C ATOM 0 H VAL A 20 -1.214 6.128 -13.171 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.872 7.661 -10.727 1.00 10.00 H new ATOM 0 HB VAL A 20 -2.554 6.666 -9.460 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -4.659 7.324 -10.556 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -3.368 8.531 -10.765 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.796 7.445 -12.107 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -4.146 4.973 -10.300 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -3.232 4.895 -11.825 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.464 4.391 -10.300 1.00 10.00 H new ATOM 312 N SER A 21 0.287 5.615 -9.709 1.00 10.00 N ATOM 313 CA SER A 21 1.149 4.543 -9.252 1.00 10.00 C ATOM 314 C SER A 21 0.600 4.000 -7.942 1.00 10.00 C ATOM 315 O SER A 21 -0.153 4.695 -7.257 1.00 10.00 O ATOM 316 CB SER A 21 2.570 5.068 -9.045 1.00 10.00 C ATOM 317 OG SER A 21 2.553 6.319 -8.372 1.00 10.00 O ATOM 0 H SER A 21 0.244 6.414 -9.077 1.00 10.00 H new ATOM 0 HA SER A 21 1.178 3.749 -9.998 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.148 4.347 -8.467 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.067 5.175 -10.009 1.00 10.00 H new ATOM 0 HG SER A 21 3.472 6.636 -8.248 1.00 10.00 H new ATOM 323 N PHE A 22 0.975 2.787 -7.572 1.00 10.00 N ATOM 324 CA PHE A 22 0.492 2.215 -6.331 1.00 10.00 C ATOM 325 C PHE A 22 1.619 2.154 -5.301 1.00 10.00 C ATOM 326 O PHE A 22 2.799 2.242 -5.636 1.00 10.00 O ATOM 327 CB PHE A 22 -0.148 0.838 -6.557 1.00 10.00 C ATOM 328 CG PHE A 22 -1.656 0.885 -6.690 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.467 0.823 -5.566 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.261 0.986 -7.936 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.847 0.863 -5.682 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.642 1.024 -8.057 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.433 0.963 -6.928 1.00 10.00 C ATOM 0 H PHE A 22 1.604 2.188 -8.106 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.290 2.864 -5.937 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.274 0.394 -7.458 1.00 10.00 H new ATOM 0 HB3 PHE A 22 0.115 0.184 -5.726 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -2.017 0.742 -4.588 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.647 1.036 -8.823 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.465 0.816 -4.797 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.098 1.101 -9.033 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.509 0.993 -7.019 1.00 10.00 H new ATOM 343 N HIS A 23 1.223 2.097 -4.043 1.00 10.00 N ATOM 344 CA HIS A 23 2.144 2.061 -2.898 1.00 10.00 C ATOM 345 C HIS A 23 1.437 1.416 -1.741 1.00 10.00 C ATOM 346 O HIS A 23 0.278 1.116 -1.850 1.00 10.00 O ATOM 347 CB HIS A 23 2.531 3.467 -2.438 1.00 10.00 C ATOM 348 CG HIS A 23 2.145 4.549 -3.376 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.845 5.218 -4.321 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.864 5.008 -3.448 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.960 6.061 -4.949 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.772 5.902 -4.389 1.00 10.00 N flip ATOM 0 H HIS A 23 0.240 2.074 -3.773 1.00 10.00 H new ATOM 0 HA HIS A 23 3.037 1.517 -3.207 1.00 10.00 H new ATOM 0 HB2 HIS A 23 2.067 3.660 -1.471 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.610 3.502 -2.287 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.839 5.116 -4.528 1.00 10.00 H new ATOM 0 HD2 HIS A 23 0.049 4.680 -2.820 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.194 6.736 -5.759 1.00 10.00 H new ATOM 361 N LYS A 24 2.105 1.208 -0.635 1.00 10.00 N ATOM 362 CA LYS A 24 1.438 0.638 0.520 1.00 10.00 C ATOM 363 C LYS A 24 1.316 1.724 1.601 1.00 10.00 C ATOM 364 O LYS A 24 1.940 2.778 1.473 1.00 10.00 O ATOM 365 CB LYS A 24 2.196 -0.579 1.046 1.00 10.00 C ATOM 366 CG LYS A 24 1.537 -1.899 0.678 1.00 10.00 C ATOM 367 CD LYS A 24 2.523 -3.051 0.740 1.00 10.00 C ATOM 368 CE LYS A 24 2.962 -3.343 2.166 1.00 10.00 C ATOM 369 NZ LYS A 24 4.327 -3.923 2.209 1.00 10.00 N ATOM 0 H LYS A 24 3.094 1.419 -0.504 1.00 10.00 H new ATOM 0 HA LYS A 24 0.444 0.295 0.235 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.212 -0.565 0.651 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.274 -0.509 2.131 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.706 -2.093 1.356 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.119 -1.830 -0.326 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.067 -3.943 0.310 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.396 -2.815 0.132 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.938 -2.423 2.750 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.258 -4.034 2.630 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.594 -4.110 3.197 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.343 -4.813 1.672 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.002 -3.253 1.789 1.00 10.00 H new ATOM 383 N PHE A 25 0.500 1.494 2.634 1.00 10.00 N ATOM 384 CA PHE A 25 0.332 2.480 3.722 1.00 10.00 C ATOM 385 C PHE A 25 1.670 2.792 4.381 1.00 10.00 C ATOM 386 O PHE A 25 2.606 1.990 4.312 1.00 10.00 O ATOM 387 CB PHE A 25 -0.586 1.945 4.828 1.00 10.00 C ATOM 388 CG PHE A 25 -2.022 2.444 4.811 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.906 2.022 3.841 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.490 3.309 5.792 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.220 2.454 3.831 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.805 3.739 5.792 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.668 3.314 4.808 1.00 10.00 C ATOM 0 H PHE A 25 -0.053 0.644 2.746 1.00 10.00 H new ATOM 0 HA PHE A 25 -0.099 3.370 3.264 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.601 0.857 4.764 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -0.146 2.201 5.792 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.566 1.341 3.074 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.818 3.651 6.565 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.894 2.117 3.057 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.154 4.408 6.564 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.693 3.654 4.802 1.00 10.00 H new ATOM 403 N PRO A 26 1.781 3.959 5.033 1.00 10.00 N ATOM 404 CA PRO A 26 2.993 4.345 5.757 1.00 10.00 C ATOM 405 C PRO A 26 3.170 3.477 6.998 1.00 10.00 C ATOM 406 O PRO A 26 2.920 3.916 8.120 1.00 10.00 O ATOM 407 CB PRO A 26 2.704 5.787 6.168 1.00 10.00 C ATOM 408 CG PRO A 26 1.225 5.859 6.234 1.00 10.00 C ATOM 409 CD PRO A 26 0.749 5.015 5.102 1.00 10.00 C ATOM 0 HA PRO A 26 3.901 4.233 5.164 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.157 6.025 7.130 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.105 6.495 5.443 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.854 5.486 7.188 1.00 10.00 H new ATOM 0 HG3 PRO A 26 0.875 6.886 6.135 1.00 10.00 H new ATOM 0 HD2 PRO A 26 -0.242 4.602 5.292 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.685 5.581 4.173 1.00 10.00 H new ATOM 417 N LEU A 27 3.594 2.242 6.796 1.00 10.00 N ATOM 418 CA LEU A 27 3.769 1.311 7.893 1.00 10.00 C ATOM 419 C LEU A 27 4.912 1.742 8.786 1.00 10.00 C ATOM 420 O LEU A 27 4.972 1.394 9.965 1.00 10.00 O ATOM 421 CB LEU A 27 3.996 -0.093 7.347 1.00 10.00 C ATOM 422 CG LEU A 27 2.713 -0.807 6.917 1.00 10.00 C ATOM 423 CD1 LEU A 27 3.019 -2.223 6.452 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.712 -0.811 8.063 1.00 10.00 C ATOM 0 H LEU A 27 3.824 1.861 5.878 1.00 10.00 H new ATOM 0 HA LEU A 27 2.864 1.305 8.500 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.671 -0.035 6.493 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.495 -0.692 8.109 1.00 10.00 H new ATOM 0 HG LEU A 27 2.273 -0.269 6.077 1.00 10.00 H new ATOM 0 HD11 LEU A 27 2.094 -2.715 6.150 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.704 -2.188 5.605 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.478 -2.782 7.267 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.801 -1.321 7.749 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.142 -1.330 8.920 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.475 0.216 8.343 1.00 10.00 H new ATOM 436 N THR A 28 5.808 2.513 8.214 1.00 10.00 N ATOM 437 CA THR A 28 6.949 3.019 8.931 1.00 10.00 C ATOM 438 C THR A 28 6.656 4.422 9.480 1.00 10.00 C ATOM 439 O THR A 28 7.545 5.129 9.957 1.00 10.00 O ATOM 440 CB THR A 28 8.168 3.023 7.998 1.00 10.00 C ATOM 441 OG1 THR A 28 7.952 3.944 6.922 1.00 10.00 O ATOM 442 CG2 THR A 28 8.367 1.633 7.422 1.00 10.00 C ATOM 0 H THR A 28 5.764 2.806 7.238 1.00 10.00 H new ATOM 0 HA THR A 28 7.165 2.375 9.784 1.00 10.00 H new ATOM 0 HB THR A 28 9.050 3.322 8.565 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.295 3.559 6.088 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.232 1.634 6.759 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.532 0.923 8.233 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.480 1.342 6.860 1.00 10.00 H new ATOM 450 N ARG A 29 5.380 4.801 9.411 1.00 10.00 N ATOM 451 CA ARG A 29 4.893 6.087 9.895 1.00 10.00 C ATOM 452 C ARG A 29 3.497 5.877 10.478 1.00 10.00 C ATOM 453 O ARG A 29 2.540 6.463 10.005 1.00 10.00 O ATOM 454 CB ARG A 29 4.818 7.091 8.731 1.00 10.00 C ATOM 455 CG ARG A 29 5.991 8.045 8.620 1.00 10.00 C ATOM 456 CD ARG A 29 5.778 9.289 9.458 1.00 10.00 C ATOM 457 NE ARG A 29 6.898 9.535 10.359 1.00 10.00 N ATOM 458 CZ ARG A 29 8.003 10.207 10.027 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.129 10.750 8.815 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.980 10.338 10.918 1.00 10.00 N ATOM 0 H ARG A 29 4.648 4.214 9.012 1.00 10.00 H new ATOM 0 HA ARG A 29 5.568 6.482 10.654 1.00 10.00 H new ATOM 0 HB2 ARG A 29 4.735 6.534 7.798 1.00 10.00 H new ATOM 0 HB3 ARG A 29 3.904 7.676 8.836 1.00 10.00 H new ATOM 0 HG2 ARG A 29 6.903 7.541 8.941 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.133 8.328 7.577 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.643 10.150 8.803 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.861 9.183 10.038 1.00 10.00 H new ATOM 0 HE ARG A 29 6.833 9.168 11.309 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.377 10.654 8.132 1.00 10.00 H new ATOM 0 HH12 ARG A 29 8.977 11.261 8.571 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.882 9.927 11.846 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.828 10.850 10.674 1.00 10.00 H new ATOM 474 N PRO A 30 3.376 5.032 11.516 1.00 10.00 N ATOM 475 CA PRO A 30 2.088 4.675 12.136 1.00 10.00 C ATOM 476 C PRO A 30 1.168 5.837 12.503 1.00 10.00 C ATOM 477 O PRO A 30 0.034 5.863 12.055 1.00 10.00 O ATOM 478 CB PRO A 30 2.472 3.934 13.401 1.00 10.00 C ATOM 479 CG PRO A 30 3.952 4.098 13.553 1.00 10.00 C ATOM 480 CD PRO A 30 4.487 4.338 12.182 1.00 10.00 C ATOM 0 HA PRO A 30 1.506 4.105 11.411 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.945 4.340 14.264 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.203 2.880 13.331 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.185 4.933 14.214 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.399 3.207 13.995 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.391 4.947 12.201 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.742 3.406 11.678 1.00 10.00 H new ATOM 488 N SER A 31 1.619 6.765 13.346 1.00 10.00 N ATOM 489 CA SER A 31 0.783 7.901 13.734 1.00 10.00 C ATOM 490 C SER A 31 0.220 8.561 12.485 1.00 10.00 C ATOM 491 O SER A 31 -0.985 8.775 12.361 1.00 10.00 O ATOM 492 CB SER A 31 1.607 8.893 14.545 1.00 10.00 C ATOM 493 OG SER A 31 2.933 8.409 14.722 1.00 10.00 O ATOM 0 H SER A 31 2.547 6.754 13.769 1.00 10.00 H new ATOM 0 HA SER A 31 -0.046 7.556 14.353 1.00 10.00 H new ATOM 0 HB2 SER A 31 1.630 9.857 14.037 1.00 10.00 H new ATOM 0 HB3 SER A 31 1.140 9.055 15.516 1.00 10.00 H new ATOM 0 HG SER A 31 3.451 9.057 15.243 1.00 10.00 H new ATOM 499 N LEU A 32 1.103 8.799 11.538 1.00 10.00 N ATOM 500 CA LEU A 32 0.735 9.394 10.272 1.00 10.00 C ATOM 501 C LEU A 32 -0.187 8.431 9.515 1.00 10.00 C ATOM 502 O LEU A 32 -1.163 8.838 8.897 1.00 10.00 O ATOM 503 CB LEU A 32 2.028 9.707 9.497 1.00 10.00 C ATOM 504 CG LEU A 32 1.891 10.292 8.092 1.00 10.00 C ATOM 505 CD1 LEU A 32 1.847 9.189 7.060 1.00 10.00 C ATOM 506 CD2 LEU A 32 0.671 11.180 7.993 1.00 10.00 C ATOM 0 H LEU A 32 2.096 8.585 11.625 1.00 10.00 H new ATOM 0 HA LEU A 32 0.186 10.326 10.408 1.00 10.00 H new ATOM 0 HB2 LEU A 32 2.616 10.404 10.094 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.605 8.785 9.422 1.00 10.00 H new ATOM 0 HG LEU A 32 2.767 10.909 7.891 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.749 9.625 6.066 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.766 8.605 7.112 1.00 10.00 H new ATOM 0 HD13 LEU A 32 0.994 8.540 7.257 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.596 11.584 6.983 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.222 10.597 8.218 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.759 12.000 8.706 1.00 10.00 H new ATOM 518 N CYS A 33 0.079 7.143 9.658 1.00 10.00 N ATOM 519 CA CYS A 33 -0.706 6.112 8.999 1.00 10.00 C ATOM 520 C CYS A 33 -2.137 6.208 9.479 1.00 10.00 C ATOM 521 O CYS A 33 -3.099 6.081 8.723 1.00 10.00 O ATOM 522 CB CYS A 33 -0.132 4.746 9.382 1.00 10.00 C ATOM 523 SG CYS A 33 -0.852 3.333 8.523 1.00 10.00 S ATOM 0 H CYS A 33 0.842 6.784 10.232 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.673 6.239 7.917 1.00 10.00 H new ATOM 0 HB2 CYS A 33 0.941 4.756 9.192 1.00 10.00 H new ATOM 0 HB3 CYS A 33 -0.265 4.603 10.454 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.683 3.754 7.617 1.00 10.00 H new ATOM 529 N LYS A 34 -2.233 6.526 10.747 1.00 10.00 N ATOM 530 CA LYS A 34 -3.480 6.621 11.447 1.00 10.00 C ATOM 531 C LYS A 34 -4.337 7.792 10.978 1.00 10.00 C ATOM 532 O LYS A 34 -5.564 7.692 10.979 1.00 10.00 O ATOM 533 CB LYS A 34 -3.155 6.715 12.925 1.00 10.00 C ATOM 534 CG LYS A 34 -4.207 7.396 13.765 1.00 10.00 C ATOM 535 CD LYS A 34 -3.556 8.327 14.772 1.00 10.00 C ATOM 536 CE LYS A 34 -4.269 8.274 16.112 1.00 10.00 C ATOM 537 NZ LYS A 34 -4.358 6.883 16.629 1.00 10.00 N ATOM 0 H LYS A 34 -1.422 6.730 11.331 1.00 10.00 H new ATOM 0 HA LYS A 34 -4.084 5.738 11.240 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.997 5.708 13.312 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -2.214 7.252 13.042 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.885 7.959 13.124 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.807 6.649 14.285 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -2.510 8.051 14.903 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -3.571 9.348 14.390 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -3.739 8.897 16.832 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -5.271 8.689 16.008 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -4.273 6.892 17.666 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -5.274 6.471 16.360 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.589 6.312 16.224 1.00 10.00 H new ATOM 551 N GLU A 35 -3.739 8.892 10.533 1.00 10.00 N ATOM 552 CA GLU A 35 -4.582 9.998 10.105 1.00 10.00 C ATOM 553 C GLU A 35 -5.206 9.675 8.773 1.00 10.00 C ATOM 554 O GLU A 35 -6.195 10.290 8.381 1.00 10.00 O ATOM 555 CB GLU A 35 -3.877 11.342 10.028 1.00 10.00 C ATOM 556 CG GLU A 35 -2.401 11.259 9.759 1.00 10.00 C ATOM 557 CD GLU A 35 -1.658 12.461 10.297 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.614 13.497 9.607 1.00 10.00 O ATOM 559 OE2 GLU A 35 -1.135 12.380 11.431 1.00 10.00 O ATOM 0 H GLU A 35 -2.732 9.039 10.461 1.00 10.00 H new ATOM 0 HA GLU A 35 -5.342 10.107 10.879 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -4.343 11.938 9.243 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -4.033 11.874 10.967 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -2.000 10.352 10.213 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -2.232 11.179 8.685 1.00 10.00 H new ATOM 566 N TRP A 36 -4.645 8.695 8.072 1.00 10.00 N ATOM 567 CA TRP A 36 -5.215 8.298 6.810 1.00 10.00 C ATOM 568 C TRP A 36 -6.602 7.755 7.087 1.00 10.00 C ATOM 569 O TRP A 36 -7.518 7.931 6.287 1.00 10.00 O ATOM 570 CB TRP A 36 -4.332 7.276 6.083 1.00 10.00 C ATOM 571 CG TRP A 36 -3.015 7.851 5.640 1.00 10.00 C ATOM 572 CD1 TRP A 36 -2.319 8.853 6.251 1.00 10.00 C ATOM 573 CD2 TRP A 36 -2.243 7.474 4.490 1.00 10.00 C ATOM 574 NE1 TRP A 36 -1.174 9.135 5.552 1.00 10.00 N ATOM 575 CE2 TRP A 36 -1.097 8.297 4.472 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.406 6.527 3.473 1.00 10.00 C ATOM 577 CZ2 TRP A 36 -0.122 8.200 3.483 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.436 6.434 2.490 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.308 7.267 2.501 1.00 10.00 C ATOM 0 H TRP A 36 -3.814 8.177 8.356 1.00 10.00 H new ATOM 0 HA TRP A 36 -5.279 9.156 6.140 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -4.149 6.427 6.742 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.867 6.894 5.213 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -2.627 9.353 7.157 1.00 10.00 H new ATOM 0 HE1 TRP A 36 -0.491 9.852 5.797 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.272 5.881 3.455 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 0.749 8.838 3.491 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.550 5.706 1.700 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.429 7.170 1.718 1.00 10.00 H new ATOM 590 N GLU A 37 -6.770 7.188 8.289 1.00 10.00 N ATOM 591 CA GLU A 37 -8.055 6.651 8.700 1.00 10.00 C ATOM 592 C GLU A 37 -9.056 7.799 8.788 1.00 10.00 C ATOM 593 O GLU A 37 -10.226 7.652 8.433 1.00 10.00 O ATOM 594 CB GLU A 37 -7.958 5.961 10.067 1.00 10.00 C ATOM 595 CG GLU A 37 -6.735 5.081 10.252 1.00 10.00 C ATOM 596 CD GLU A 37 -6.988 3.622 9.954 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.850 3.022 10.627 1.00 10.00 O ATOM 598 OE2 GLU A 37 -6.297 3.062 9.079 1.00 10.00 O ATOM 0 H GLU A 37 -6.030 7.094 8.985 1.00 10.00 H new ATOM 0 HA GLU A 37 -8.376 5.911 7.967 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.959 6.725 10.844 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.851 5.354 10.216 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.937 5.442 9.604 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.381 5.177 11.278 1.00 10.00 H new ATOM 605 N ALA A 38 -8.547 8.966 9.209 1.00 10.00 N ATOM 606 CA ALA A 38 -9.353 10.170 9.367 1.00 10.00 C ATOM 607 C ALA A 38 -9.937 10.602 8.031 1.00 10.00 C ATOM 608 O ALA A 38 -10.986 11.247 7.973 1.00 10.00 O ATOM 609 CB ALA A 38 -8.517 11.296 9.968 1.00 10.00 C ATOM 0 H ALA A 38 -7.564 9.094 9.448 1.00 10.00 H new ATOM 0 HA ALA A 38 -10.175 9.945 10.047 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -9.134 12.188 10.079 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.142 10.990 10.945 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.676 11.516 9.310 1.00 10.00 H new ATOM 615 N ALA A 39 -9.253 10.232 6.953 1.00 10.00 N ATOM 616 CA ALA A 39 -9.706 10.572 5.620 1.00 10.00 C ATOM 617 C ALA A 39 -10.736 9.552 5.152 1.00 10.00 C ATOM 618 O ALA A 39 -11.621 9.866 4.352 1.00 10.00 O ATOM 619 CB ALA A 39 -8.528 10.650 4.661 1.00 10.00 C ATOM 0 H ALA A 39 -8.385 9.698 6.982 1.00 10.00 H new ATOM 0 HA ALA A 39 -10.179 11.554 5.640 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.887 10.906 3.664 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.830 11.414 5.003 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.022 9.685 4.627 1.00 10.00 H new ATOM 625 N VAL A 40 -10.632 8.334 5.685 1.00 10.00 N ATOM 626 CA VAL A 40 -11.550 7.252 5.348 1.00 10.00 C ATOM 627 C VAL A 40 -12.737 7.297 6.306 1.00 10.00 C ATOM 628 O VAL A 40 -13.121 6.299 6.913 1.00 10.00 O ATOM 629 CB VAL A 40 -10.878 5.876 5.452 1.00 10.00 C ATOM 630 CG1 VAL A 40 -11.549 4.898 4.508 1.00 10.00 C ATOM 631 CG2 VAL A 40 -9.386 5.947 5.156 1.00 10.00 C ATOM 0 H VAL A 40 -9.912 8.073 6.359 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.872 7.391 4.316 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.993 5.530 6.479 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -11.065 3.924 4.589 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -12.602 4.803 4.771 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.462 5.262 3.484 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.950 4.951 5.241 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -9.233 6.325 4.145 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.905 6.616 5.870 1.00 10.00 H new ATOM 641 N ARG A 41 -13.284 8.488 6.432 1.00 10.00 N ATOM 642 CA ARG A 41 -14.419 8.794 7.315 1.00 10.00 C ATOM 643 C ARG A 41 -15.729 8.083 6.927 1.00 10.00 C ATOM 644 O ARG A 41 -16.799 8.450 7.414 1.00 10.00 O ATOM 645 CB ARG A 41 -14.654 10.312 7.326 1.00 10.00 C ATOM 646 CG ARG A 41 -15.376 10.848 6.088 1.00 10.00 C ATOM 647 CD ARG A 41 -14.512 10.779 4.838 1.00 10.00 C ATOM 648 NE ARG A 41 -15.035 11.613 3.763 1.00 10.00 N ATOM 649 CZ ARG A 41 -14.276 12.337 2.942 1.00 10.00 C ATOM 650 NH1 ARG A 41 -12.952 12.313 3.053 1.00 10.00 N ATOM 651 NH2 ARG A 41 -14.843 13.075 1.998 1.00 10.00 N ATOM 0 H ARG A 41 -12.951 9.301 5.914 1.00 10.00 H new ATOM 0 HA ARG A 41 -14.148 8.422 8.303 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -15.235 10.571 8.211 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.692 10.816 7.417 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -16.289 10.275 5.927 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -15.674 11.882 6.264 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -13.498 11.096 5.081 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -14.450 9.746 4.497 1.00 10.00 H new ATOM 0 HE ARG A 41 -16.046 11.644 3.631 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -12.511 11.738 3.770 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -12.377 12.870 2.421 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -15.858 13.088 1.902 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -14.264 13.630 1.368 1.00 10.00 H new ATOM 665 N ARG A 42 -15.666 7.084 6.069 1.00 10.00 N ATOM 666 CA ARG A 42 -16.875 6.403 5.643 1.00 10.00 C ATOM 667 C ARG A 42 -17.022 5.028 6.284 1.00 10.00 C ATOM 668 O ARG A 42 -16.038 4.417 6.699 1.00 10.00 O ATOM 669 CB ARG A 42 -16.907 6.295 4.122 1.00 10.00 C ATOM 670 CG ARG A 42 -18.052 7.080 3.514 1.00 10.00 C ATOM 671 CD ARG A 42 -17.966 8.549 3.893 1.00 10.00 C ATOM 672 NE ARG A 42 -19.279 9.190 3.955 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.798 9.731 5.062 1.00 10.00 C ATOM 674 NH1 ARG A 42 -19.159 9.642 6.226 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.971 10.347 5.006 1.00 10.00 N ATOM 0 H ARG A 42 -14.803 6.728 5.657 1.00 10.00 H new ATOM 0 HA ARG A 42 -17.723 7.000 5.979 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.964 6.658 3.714 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -16.996 5.247 3.836 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -18.031 6.979 2.429 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -19.002 6.668 3.855 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -17.474 8.643 4.861 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.344 9.072 3.167 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.834 9.227 3.100 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -18.263 9.157 6.280 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -19.565 10.059 7.064 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.474 10.407 4.121 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -21.370 10.761 5.848 1.00 10.00 H new ATOM 689 N LYS A 43 -18.271 4.564 6.371 1.00 10.00 N ATOM 690 CA LYS A 43 -18.592 3.260 6.950 1.00 10.00 C ATOM 691 C LYS A 43 -17.828 2.149 6.241 1.00 10.00 C ATOM 692 O LYS A 43 -17.283 1.242 6.877 1.00 10.00 O ATOM 693 CB LYS A 43 -20.105 2.989 6.851 1.00 10.00 C ATOM 694 CG LYS A 43 -20.451 1.542 6.502 1.00 10.00 C ATOM 695 CD LYS A 43 -21.932 1.348 6.208 1.00 10.00 C ATOM 696 CE LYS A 43 -22.207 -0.070 5.731 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.592 -0.232 5.224 1.00 10.00 N ATOM 0 H LYS A 43 -19.086 5.082 6.042 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.296 3.275 7.999 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.574 3.246 7.801 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.534 3.648 6.096 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.869 1.232 5.634 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.161 0.894 7.329 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.515 1.554 7.105 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.253 2.061 5.448 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -21.501 -0.330 4.943 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.039 -0.767 6.552 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -23.734 -1.213 4.910 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.268 -0.010 5.983 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -23.746 0.413 4.423 1.00 10.00 H new ATOM 711 N ASN A 44 -17.794 2.225 4.921 1.00 10.00 N ATOM 712 CA ASN A 44 -17.112 1.223 4.127 1.00 10.00 C ATOM 713 C ASN A 44 -15.618 1.497 4.070 1.00 10.00 C ATOM 714 O ASN A 44 -15.068 1.812 3.014 1.00 10.00 O ATOM 715 CB ASN A 44 -17.696 1.111 2.707 1.00 10.00 C ATOM 716 CG ASN A 44 -18.380 2.374 2.210 1.00 10.00 C ATOM 717 OD1 ASN A 44 -17.962 3.495 2.505 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.454 2.195 1.452 1.00 10.00 N ATOM 0 H ASN A 44 -18.231 2.971 4.379 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.271 0.265 4.621 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -16.894 0.851 2.016 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.414 0.291 2.686 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -19.964 3.001 1.092 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -19.769 1.251 1.229 1.00 10.00 H new ATOM 725 N PHE A 45 -14.982 1.411 5.232 1.00 10.00 N ATOM 726 CA PHE A 45 -13.548 1.597 5.339 1.00 10.00 C ATOM 727 C PHE A 45 -12.877 0.464 4.580 1.00 10.00 C ATOM 728 O PHE A 45 -13.016 -0.704 4.941 1.00 10.00 O ATOM 729 CB PHE A 45 -13.121 1.612 6.822 1.00 10.00 C ATOM 730 CG PHE A 45 -11.675 1.984 7.058 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.663 1.102 6.737 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.329 3.211 7.605 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.340 1.425 6.943 1.00 10.00 C ATOM 734 CE2 PHE A 45 -10.005 3.543 7.816 1.00 10.00 C ATOM 735 CZ PHE A 45 -9.009 2.650 7.481 1.00 10.00 C ATOM 0 H PHE A 45 -15.446 1.212 6.118 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.248 2.553 4.910 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.756 2.315 7.362 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.303 0.626 7.249 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.913 0.140 6.316 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -12.104 3.915 7.869 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.564 0.720 6.684 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.750 4.502 8.243 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.973 2.910 7.640 1.00 10.00 H new ATOM 745 N LYS A 46 -12.198 0.820 3.508 1.00 10.00 N ATOM 746 CA LYS A 46 -11.520 -0.146 2.661 1.00 10.00 C ATOM 747 C LYS A 46 -10.354 -0.805 3.397 1.00 10.00 C ATOM 748 O LYS A 46 -10.071 -0.439 4.526 1.00 10.00 O ATOM 749 CB LYS A 46 -11.081 0.554 1.386 1.00 10.00 C ATOM 750 CG LYS A 46 -11.820 0.031 0.169 1.00 10.00 C ATOM 751 CD LYS A 46 -12.587 1.130 -0.548 1.00 10.00 C ATOM 752 CE LYS A 46 -13.897 0.604 -1.117 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.710 -0.674 -1.860 1.00 10.00 N ATOM 0 H LYS A 46 -12.100 1.787 3.198 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.202 -0.955 2.398 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.254 1.626 1.483 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.009 0.415 1.247 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -11.108 -0.423 -0.520 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.512 -0.754 0.475 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.790 1.947 0.144 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.976 1.539 -1.353 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.609 0.451 -0.306 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -14.329 1.351 -1.783 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.506 -0.815 -2.514 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.822 -0.635 -2.399 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.671 -1.465 -1.186 1.00 10.00 H new ATOM 767 N PRO A 47 -9.646 -1.775 2.770 1.00 10.00 N ATOM 768 CA PRO A 47 -8.550 -2.494 3.426 1.00 10.00 C ATOM 769 C PRO A 47 -7.563 -1.591 4.159 1.00 10.00 C ATOM 770 O PRO A 47 -7.382 -0.417 3.833 1.00 10.00 O ATOM 771 CB PRO A 47 -7.885 -3.259 2.292 1.00 10.00 C ATOM 772 CG PRO A 47 -8.969 -3.455 1.293 1.00 10.00 C ATOM 773 CD PRO A 47 -9.829 -2.225 1.380 1.00 10.00 C ATOM 0 HA PRO A 47 -8.925 -3.140 4.220 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.052 -2.698 1.869 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.485 -4.213 2.637 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.560 -3.577 0.290 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.546 -4.353 1.513 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.514 -1.463 0.667 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.874 -2.450 1.165 1.00 10.00 H new ATOM 781 N THR A 48 -6.873 -2.205 5.102 1.00 10.00 N ATOM 782 CA THR A 48 -5.951 -1.523 5.987 1.00 10.00 C ATOM 783 C THR A 48 -4.609 -1.227 5.362 1.00 10.00 C ATOM 784 O THR A 48 -4.391 -1.445 4.177 1.00 10.00 O ATOM 785 CB THR A 48 -5.713 -2.397 7.219 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.890 -3.526 6.872 1.00 10.00 O ATOM 787 CG2 THR A 48 -7.028 -2.898 7.741 1.00 10.00 C ATOM 0 H THR A 48 -6.939 -3.208 5.276 1.00 10.00 H new ATOM 0 HA THR A 48 -6.412 -0.567 6.235 1.00 10.00 H new ATOM 0 HB THR A 48 -5.211 -1.801 7.981 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.872 -4.160 7.619 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.857 -3.521 8.619 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.658 -2.051 8.014 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.525 -3.486 6.970 1.00 10.00 H new ATOM 795 N LYS A 49 -3.700 -0.798 6.226 1.00 10.00 N ATOM 796 CA LYS A 49 -2.349 -0.427 5.861 1.00 10.00 C ATOM 797 C LYS A 49 -1.587 -1.514 5.120 1.00 10.00 C ATOM 798 O LYS A 49 -0.502 -1.262 4.602 1.00 10.00 O ATOM 799 CB LYS A 49 -1.566 0.001 7.107 1.00 10.00 C ATOM 800 CG LYS A 49 -1.978 -0.706 8.389 1.00 10.00 C ATOM 801 CD LYS A 49 -2.543 0.280 9.402 1.00 10.00 C ATOM 802 CE LYS A 49 -3.974 0.675 9.064 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.655 1.357 10.191 1.00 10.00 N ATOM 0 H LYS A 49 -3.891 -0.697 7.223 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.444 0.407 5.165 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.505 -0.180 6.933 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.688 1.075 7.245 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.724 -1.468 8.164 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.117 -1.219 8.818 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.513 -0.163 10.397 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.916 1.171 9.431 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -3.971 1.332 8.194 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.538 -0.216 8.788 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.465 0.785 10.504 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.988 1.473 10.980 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.990 2.291 9.880 1.00 10.00 H new ATOM 817 N TYR A 50 -2.124 -2.719 5.067 1.00 10.00 N ATOM 818 CA TYR A 50 -1.440 -3.766 4.352 1.00 10.00 C ATOM 819 C TYR A 50 -1.723 -3.654 2.869 1.00 10.00 C ATOM 820 O TYR A 50 -0.898 -4.035 2.048 1.00 10.00 O ATOM 821 CB TYR A 50 -1.874 -5.124 4.838 1.00 10.00 C ATOM 822 CG TYR A 50 -1.320 -5.511 6.180 1.00 10.00 C ATOM 823 CD1 TYR A 50 -0.028 -5.995 6.297 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.105 -5.439 7.319 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.469 -6.410 7.508 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.611 -5.840 8.548 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.321 -6.331 8.632 1.00 10.00 C ATOM 828 OH TYR A 50 0.171 -6.788 9.830 1.00 10.00 O ATOM 0 H TYR A 50 -3.008 -2.987 5.500 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.371 -3.653 4.533 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.963 -5.147 4.888 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.572 -5.872 4.105 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.600 -6.047 5.420 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.116 -5.065 7.247 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.475 -6.797 7.578 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.227 -5.770 9.433 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.504 -6.663 10.530 1.00 10.00 H new ATOM 838 N SER A 51 -2.900 -3.145 2.525 1.00 10.00 N ATOM 839 CA SER A 51 -3.251 -2.998 1.128 1.00 10.00 C ATOM 840 C SER A 51 -2.477 -1.837 0.521 1.00 10.00 C ATOM 841 O SER A 51 -1.802 -1.091 1.233 1.00 10.00 O ATOM 842 CB SER A 51 -4.752 -2.828 0.929 1.00 10.00 C ATOM 843 OG SER A 51 -5.296 -1.874 1.803 1.00 10.00 O ATOM 0 H SER A 51 -3.613 -2.834 3.185 1.00 10.00 H new ATOM 0 HA SER A 51 -2.973 -3.916 0.611 1.00 10.00 H new ATOM 0 HB2 SER A 51 -4.949 -2.530 -0.101 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.249 -3.786 1.084 1.00 10.00 H new ATOM 0 HG SER A 51 -4.617 -1.603 2.456 1.00 10.00 H new ATOM 849 N SER A 52 -2.586 -1.673 -0.780 1.00 10.00 N ATOM 850 CA SER A 52 -1.846 -0.646 -1.467 1.00 10.00 C ATOM 851 C SER A 52 -2.745 0.523 -1.901 1.00 10.00 C ATOM 852 O SER A 52 -3.930 0.347 -2.191 1.00 10.00 O ATOM 853 CB SER A 52 -1.119 -1.302 -2.640 1.00 10.00 C ATOM 854 OG SER A 52 -1.796 -2.500 -3.058 1.00 10.00 O ATOM 0 H SER A 52 -3.183 -2.241 -1.381 1.00 10.00 H new ATOM 0 HA SER A 52 -1.115 -0.198 -0.794 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.061 -0.603 -3.474 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.095 -1.540 -2.351 1.00 10.00 H new ATOM 0 HG SER A 52 -1.314 -2.902 -3.811 1.00 10.00 H new ATOM 860 N ILE A 53 -2.160 1.722 -1.907 1.00 10.00 N ATOM 861 CA ILE A 53 -2.856 2.956 -2.238 1.00 10.00 C ATOM 862 C ILE A 53 -2.262 3.553 -3.518 1.00 10.00 C ATOM 863 O ILE A 53 -1.163 3.182 -3.902 1.00 10.00 O ATOM 864 CB ILE A 53 -2.741 3.964 -1.052 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.293 3.345 0.238 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.469 5.266 -1.351 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.331 2.415 0.957 1.00 10.00 C ATOM 0 H ILE A 53 -1.176 1.860 -1.678 1.00 10.00 H new ATOM 0 HA ILE A 53 -3.912 2.746 -2.409 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.683 4.189 -0.918 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.577 4.148 0.918 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.202 2.792 -0.000 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.367 5.943 -0.503 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.037 5.729 -2.238 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.525 5.060 -1.526 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -2.806 2.025 1.857 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.065 1.588 0.299 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.430 2.964 1.231 1.00 10.00 H new ATOM 879 N CYS A 54 -2.954 4.488 -4.165 1.00 10.00 N ATOM 880 CA CYS A 54 -2.452 5.058 -5.405 1.00 10.00 C ATOM 881 C CYS A 54 -2.106 6.560 -5.269 1.00 10.00 C ATOM 882 O CYS A 54 -2.591 7.252 -4.373 1.00 10.00 O ATOM 883 CB CYS A 54 -3.431 4.777 -6.547 1.00 10.00 C ATOM 884 SG CYS A 54 -4.971 5.696 -6.464 1.00 10.00 S ATOM 0 H CYS A 54 -3.851 4.861 -3.854 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.508 4.568 -5.646 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.939 5.005 -7.493 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.660 3.711 -6.556 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.907 4.932 -5.984 1.00 10.00 H new ATOM 889 N SER A 55 -1.244 7.019 -6.183 1.00 10.00 N ATOM 890 CA SER A 55 -0.681 8.384 -6.217 1.00 10.00 C ATOM 891 C SER A 55 -1.680 9.532 -6.044 1.00 10.00 C ATOM 892 O SER A 55 -1.515 10.358 -5.151 1.00 10.00 O ATOM 893 CB SER A 55 0.071 8.557 -7.537 1.00 10.00 C ATOM 894 OG SER A 55 -0.742 8.186 -8.631 1.00 10.00 O ATOM 0 H SER A 55 -0.904 6.435 -6.947 1.00 10.00 H new ATOM 0 HA SER A 55 -0.031 8.458 -5.345 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.386 9.595 -7.648 1.00 10.00 H new ATOM 0 HB3 SER A 55 0.975 7.949 -7.528 1.00 10.00 H new ATOM 0 HG SER A 55 -1.118 8.990 -9.047 1.00 10.00 H new ATOM 900 N GLU A 56 -2.670 9.586 -6.929 1.00 10.00 N ATOM 901 CA GLU A 56 -3.718 10.627 -6.966 1.00 10.00 C ATOM 902 C GLU A 56 -4.283 11.040 -5.604 1.00 10.00 C ATOM 903 O GLU A 56 -4.933 12.079 -5.500 1.00 10.00 O ATOM 904 CB GLU A 56 -4.866 10.114 -7.831 1.00 10.00 C ATOM 905 CG GLU A 56 -4.978 8.599 -7.794 1.00 10.00 C ATOM 906 CD GLU A 56 -6.367 8.076 -8.077 1.00 10.00 C ATOM 907 OE1 GLU A 56 -6.888 8.334 -9.177 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.926 7.358 -7.194 1.00 10.00 O ATOM 0 H GLU A 56 -2.778 8.890 -7.667 1.00 10.00 H new ATOM 0 HA GLU A 56 -3.241 11.520 -7.369 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.802 10.555 -7.488 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.718 10.441 -8.860 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.287 8.176 -8.523 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.661 8.246 -6.813 1.00 10.00 H new ATOM 915 N HIS A 57 -4.062 10.237 -4.581 1.00 10.00 N ATOM 916 CA HIS A 57 -4.595 10.539 -3.258 1.00 10.00 C ATOM 917 C HIS A 57 -3.690 11.448 -2.423 1.00 10.00 C ATOM 918 O HIS A 57 -4.157 12.042 -1.451 1.00 10.00 O ATOM 919 CB HIS A 57 -4.894 9.240 -2.518 1.00 10.00 C ATOM 920 CG HIS A 57 -5.947 8.431 -3.205 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.231 8.880 -3.423 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.876 7.204 -3.776 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.887 7.937 -4.106 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.107 6.895 -4.353 1.00 10.00 N ATOM 0 H HIS A 57 -3.521 9.374 -4.635 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.516 11.102 -3.408 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.980 8.651 -2.437 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -5.218 9.468 -1.502 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.004 6.567 -3.783 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.919 8.014 -4.416 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.355 6.045 -4.859 1.00 10.00 H new ATOM 932 N PHE A 58 -2.418 11.580 -2.783 1.00 10.00 N ATOM 933 CA PHE A 58 -1.521 12.445 -2.022 1.00 10.00 C ATOM 934 C PHE A 58 -0.758 13.359 -2.946 1.00 10.00 C ATOM 935 O PHE A 58 -0.699 13.138 -4.156 1.00 10.00 O ATOM 936 CB PHE A 58 -0.510 11.662 -1.167 1.00 10.00 C ATOM 937 CG PHE A 58 -0.560 10.183 -1.332 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.155 9.576 -2.340 1.00 10.00 C ATOM 939 CD2 PHE A 58 -1.305 9.402 -0.471 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.131 8.213 -2.493 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.338 8.035 -0.619 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.618 7.436 -1.632 1.00 10.00 C ATOM 0 H PHE A 58 -1.990 11.110 -3.581 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.159 13.020 -1.350 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.495 12.006 -1.413 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.682 11.902 -0.118 1.00 10.00 H new ATOM 0 HD1 PHE A 58 0.741 10.179 -3.017 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.866 9.868 0.325 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.698 7.748 -3.286 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.926 7.432 0.056 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.640 6.363 -1.751 1.00 10.00 H new ATOM 952 N THR A 59 -0.177 14.386 -2.365 1.00 10.00 N ATOM 953 CA THR A 59 0.612 15.334 -3.104 1.00 10.00 C ATOM 954 C THR A 59 1.956 14.722 -3.428 1.00 10.00 C ATOM 955 O THR A 59 2.488 13.944 -2.640 1.00 10.00 O ATOM 956 CB THR A 59 0.811 16.620 -2.292 1.00 10.00 C ATOM 957 OG1 THR A 59 0.891 16.310 -0.892 1.00 10.00 O ATOM 958 CG2 THR A 59 -0.334 17.576 -2.546 1.00 10.00 C ATOM 0 H THR A 59 -0.241 14.583 -1.366 1.00 10.00 H new ATOM 0 HA THR A 59 0.089 15.585 -4.027 1.00 10.00 H new ATOM 0 HB THR A 59 1.742 17.094 -2.603 1.00 10.00 H new ATOM 0 HG1 THR A 59 1.020 17.136 -0.381 1.00 10.00 H new ATOM 0 HG21 THR A 59 -0.184 18.486 -1.965 1.00 10.00 H new ATOM 0 HG22 THR A 59 -0.372 17.825 -3.607 1.00 10.00 H new ATOM 0 HG23 THR A 59 -1.272 17.107 -2.249 1.00 10.00 H new ATOM 966 N PRO A 60 2.497 15.036 -4.604 1.00 10.00 N ATOM 967 CA PRO A 60 3.802 14.544 -5.056 1.00 10.00 C ATOM 968 C PRO A 60 4.857 14.685 -3.975 1.00 10.00 C ATOM 969 O PRO A 60 5.735 13.838 -3.820 1.00 10.00 O ATOM 970 CB PRO A 60 4.128 15.461 -6.245 1.00 10.00 C ATOM 971 CG PRO A 60 3.074 16.525 -6.234 1.00 10.00 C ATOM 972 CD PRO A 60 1.879 15.894 -5.611 1.00 10.00 C ATOM 0 HA PRO A 60 3.784 13.484 -5.311 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.123 15.894 -6.145 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.115 14.906 -7.183 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.400 17.395 -5.664 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.854 16.870 -7.244 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.210 16.631 -5.167 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.293 15.324 -6.332 1.00 10.00 H new ATOM 980 N ASP A 61 4.735 15.759 -3.220 1.00 10.00 N ATOM 981 CA ASP A 61 5.652 16.053 -2.124 1.00 10.00 C ATOM 982 C ASP A 61 5.668 14.913 -1.110 1.00 10.00 C ATOM 983 O ASP A 61 6.719 14.534 -0.594 1.00 10.00 O ATOM 984 CB ASP A 61 5.222 17.334 -1.406 1.00 10.00 C ATOM 985 CG ASP A 61 4.548 18.329 -2.330 1.00 10.00 C ATOM 986 OD1 ASP A 61 3.390 18.081 -2.726 1.00 10.00 O ATOM 987 OD2 ASP A 61 5.172 19.357 -2.674 1.00 10.00 O ATOM 0 H ASP A 61 4.000 16.455 -3.345 1.00 10.00 H new ATOM 0 HA ASP A 61 6.649 16.177 -2.548 1.00 10.00 H new ATOM 0 HB2 ASP A 61 4.540 17.079 -0.595 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.096 17.801 -0.952 1.00 10.00 H new ATOM 992 N SER A 62 4.489 14.388 -0.821 1.00 10.00 N ATOM 993 CA SER A 62 4.333 13.308 0.146 1.00 10.00 C ATOM 994 C SER A 62 4.357 11.936 -0.512 1.00 10.00 C ATOM 995 O SER A 62 4.324 10.933 0.179 1.00 10.00 O ATOM 996 CB SER A 62 3.007 13.468 0.882 1.00 10.00 C ATOM 997 OG SER A 62 3.112 12.999 2.216 1.00 10.00 O ATOM 0 H SER A 62 3.615 14.695 -1.247 1.00 10.00 H new ATOM 0 HA SER A 62 5.174 13.371 0.836 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.711 14.517 0.883 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.226 12.916 0.358 1.00 10.00 H new ATOM 0 HG SER A 62 2.242 12.661 2.513 1.00 10.00 H new ATOM 1003 N PHE A 63 4.435 11.912 -1.832 1.00 10.00 N ATOM 1004 CA PHE A 63 4.389 10.656 -2.613 1.00 10.00 C ATOM 1005 C PHE A 63 5.002 9.410 -1.942 1.00 10.00 C ATOM 1006 O PHE A 63 4.316 8.391 -1.834 1.00 10.00 O ATOM 1007 CB PHE A 63 5.028 10.796 -3.994 1.00 10.00 C ATOM 1008 CG PHE A 63 4.069 11.096 -5.119 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.719 10.777 -5.026 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.527 11.692 -6.282 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.855 11.053 -6.061 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.659 11.969 -7.324 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.322 11.650 -7.211 1.00 10.00 C ATOM 0 H PHE A 63 4.532 12.751 -2.404 1.00 10.00 H new ATOM 0 HA PHE A 63 3.315 10.488 -2.688 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.774 11.590 -3.953 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.558 9.872 -4.227 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.343 10.306 -4.130 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.573 11.943 -6.377 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.809 10.801 -5.971 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.029 12.435 -8.225 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.643 11.868 -8.022 1.00 10.00 H new ATOM 1023 N LYS A 64 6.265 9.468 -1.491 1.00 10.00 N ATOM 1024 CA LYS A 64 6.901 8.270 -0.914 1.00 10.00 C ATOM 1025 C LYS A 64 8.301 8.546 -0.351 1.00 10.00 C ATOM 1026 O LYS A 64 8.546 9.599 0.223 1.00 10.00 O ATOM 1027 CB LYS A 64 7.005 7.198 -1.998 1.00 10.00 C ATOM 1028 CG LYS A 64 7.709 7.692 -3.259 1.00 10.00 C ATOM 1029 CD LYS A 64 8.025 6.557 -4.206 1.00 10.00 C ATOM 1030 CE LYS A 64 6.785 6.079 -4.936 1.00 10.00 C ATOM 1031 NZ LYS A 64 6.948 4.685 -5.422 1.00 10.00 N ATOM 0 H LYS A 64 6.852 10.302 -1.512 1.00 10.00 H new ATOM 0 HA LYS A 64 6.279 7.940 -0.082 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.544 6.338 -1.601 1.00 10.00 H new ATOM 0 HB3 LYS A 64 6.004 6.854 -2.258 1.00 10.00 H new ATOM 0 HG2 LYS A 64 7.078 8.423 -3.765 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.631 8.203 -2.984 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.771 6.883 -4.930 1.00 10.00 H new ATOM 0 HD3 LYS A 64 8.462 5.728 -3.649 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.924 6.136 -4.270 1.00 10.00 H new ATOM 0 HE3 LYS A 64 6.580 6.739 -5.779 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 6.083 4.387 -5.917 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 7.755 4.637 -6.076 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 7.120 4.053 -4.614 1.00 10.00 H new ATOM 1045 N ARG A 65 9.222 7.582 -0.539 1.00 10.00 N ATOM 1046 CA ARG A 65 10.602 7.704 -0.054 1.00 10.00 C ATOM 1047 C ARG A 65 11.347 8.842 -0.740 1.00 10.00 C ATOM 1048 O ARG A 65 12.438 9.223 -0.323 1.00 10.00 O ATOM 1049 CB ARG A 65 11.380 6.381 -0.213 1.00 10.00 C ATOM 1050 CG ARG A 65 11.162 5.643 -1.528 1.00 10.00 C ATOM 1051 CD ARG A 65 11.417 4.144 -1.374 1.00 10.00 C ATOM 1052 NE ARG A 65 12.776 3.750 -1.772 1.00 10.00 N ATOM 1053 CZ ARG A 65 13.282 2.514 -1.626 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.567 1.563 -1.022 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.512 2.241 -2.069 1.00 10.00 N ATOM 0 H ARG A 65 9.030 6.707 -1.027 1.00 10.00 H new ATOM 0 HA ARG A 65 10.538 7.937 1.009 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.444 6.591 -0.107 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.103 5.717 0.606 1.00 10.00 H new ATOM 0 HG2 ARG A 65 10.141 5.806 -1.874 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.826 6.050 -2.290 1.00 10.00 H new ATOM 0 HD2 ARG A 65 11.251 3.857 -0.336 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.694 3.594 -1.976 1.00 10.00 H new ATOM 0 HE ARG A 65 13.375 4.463 -2.187 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.633 1.773 -0.669 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.954 0.626 -0.913 1.00 10.00 H new ATOM 0 HH21 ARG A 65 15.066 2.970 -2.518 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.897 1.303 -1.959 1.00 10.00 H new ATOM 1069 N GLU A 66 10.742 9.389 -1.782 1.00 10.00 N ATOM 1070 CA GLU A 66 11.323 10.504 -2.517 1.00 10.00 C ATOM 1071 C GLU A 66 10.966 11.817 -1.818 1.00 10.00 C ATOM 1072 O GLU A 66 11.242 12.900 -2.329 1.00 10.00 O ATOM 1073 CB GLU A 66 10.841 10.512 -3.978 1.00 10.00 C ATOM 1074 CG GLU A 66 11.133 9.219 -4.726 1.00 10.00 C ATOM 1075 CD GLU A 66 10.552 9.217 -6.125 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.464 10.302 -6.738 1.00 10.00 O ATOM 1077 OE2 GLU A 66 10.188 8.131 -6.623 1.00 10.00 O ATOM 0 H GLU A 66 9.840 9.076 -2.141 1.00 10.00 H new ATOM 0 HA GLU A 66 12.407 10.392 -2.531 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.767 10.697 -3.996 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.316 11.340 -4.503 1.00 10.00 H new ATOM 0 HG2 GLU A 66 12.211 9.071 -4.783 1.00 10.00 H new ATOM 0 HG3 GLU A 66 10.725 8.378 -4.165 1.00 10.00 H new ATOM 1084 N SER A 67 10.333 11.697 -0.647 1.00 10.00 N ATOM 1085 CA SER A 67 9.910 12.845 0.138 1.00 10.00 C ATOM 1086 C SER A 67 11.113 13.519 0.824 1.00 10.00 C ATOM 1087 O SER A 67 12.011 14.029 0.152 1.00 10.00 O ATOM 1088 CB SER A 67 8.858 12.366 1.154 1.00 10.00 C ATOM 1089 OG SER A 67 8.528 13.348 2.118 1.00 10.00 O ATOM 0 H SER A 67 10.103 10.799 -0.223 1.00 10.00 H new ATOM 0 HA SER A 67 9.466 13.603 -0.508 1.00 10.00 H new ATOM 0 HB2 SER A 67 7.954 12.072 0.620 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.232 11.477 1.663 1.00 10.00 H new ATOM 0 HG SER A 67 8.122 12.917 2.899 1.00 10.00 H new ATOM 1095 N ASN A 68 11.138 13.505 2.150 1.00 10.00 N ATOM 1096 CA ASN A 68 12.217 14.126 2.908 1.00 10.00 C ATOM 1097 C ASN A 68 13.409 13.189 3.052 1.00 10.00 C ATOM 1098 O ASN A 68 14.409 13.344 2.356 1.00 10.00 O ATOM 1099 CB ASN A 68 11.717 14.568 4.288 1.00 10.00 C ATOM 1100 CG ASN A 68 11.304 16.027 4.313 1.00 10.00 C ATOM 1101 OD1 ASN A 68 10.156 16.364 4.024 1.00 10.00 O ATOM 1102 ND2 ASN A 68 12.232 16.901 4.663 1.00 10.00 N ATOM 0 H ASN A 68 10.419 13.068 2.726 1.00 10.00 H new ATOM 0 HA ASN A 68 12.548 15.004 2.354 1.00 10.00 H new ATOM 0 HB2 ASN A 68 10.869 13.948 4.580 1.00 10.00 H new ATOM 0 HB3 ASN A 68 12.502 14.403 5.026 1.00 10.00 H new ATOM 0 HD21 ASN A 68 12.008 17.895 4.701 1.00 10.00 H new ATOM 0 HD22 ASN A 68 13.172 16.581 4.895 1.00 10.00 H new ATOM 1109 N ASN A 69 13.298 12.208 3.939 1.00 10.00 N ATOM 1110 CA ASN A 69 14.395 11.273 4.162 1.00 10.00 C ATOM 1111 C ASN A 69 14.178 9.959 3.429 1.00 10.00 C ATOM 1112 O ASN A 69 14.861 9.670 2.448 1.00 10.00 O ATOM 1113 CB ASN A 69 14.589 11.000 5.658 1.00 10.00 C ATOM 1114 CG ASN A 69 15.662 9.957 5.925 1.00 10.00 C ATOM 1115 OD1 ASN A 69 15.253 8.791 6.399 1.00 10.00 O flip ATOM 1116 ND2 ASN A 69 16.850 10.205 5.714 1.00 10.00 N flip ATOM 0 H ASN A 69 12.470 12.039 4.510 1.00 10.00 H new ATOM 0 HA ASN A 69 15.294 11.743 3.763 1.00 10.00 H new ATOM 0 HB2 ASN A 69 14.856 11.929 6.162 1.00 10.00 H new ATOM 0 HB3 ASN A 69 13.645 10.664 6.088 1.00 10.00 H new ATOM 0 HD21 ASN A 69 17.123 11.117 5.348 1.00 10.00 H new ATOM 0 HD22 ASN A 69 17.560 9.498 5.905 1.00 10.00 H new ATOM 1123 N LYS A 70 13.216 9.168 3.891 1.00 10.00 N ATOM 1124 CA LYS A 70 12.958 7.876 3.278 1.00 10.00 C ATOM 1125 C LYS A 70 11.468 7.568 3.198 1.00 10.00 C ATOM 1126 O LYS A 70 11.080 6.498 2.740 1.00 10.00 O ATOM 1127 CB LYS A 70 13.691 6.778 4.054 1.00 10.00 C ATOM 1128 CG LYS A 70 14.463 5.812 3.164 1.00 10.00 C ATOM 1129 CD LYS A 70 15.603 6.515 2.432 1.00 10.00 C ATOM 1130 CE LYS A 70 16.476 5.537 1.659 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.553 6.232 0.900 1.00 10.00 N ATOM 0 H LYS A 70 12.610 9.397 4.679 1.00 10.00 H new ATOM 0 HA LYS A 70 13.334 7.911 2.255 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.382 7.242 4.757 1.00 10.00 H new ATOM 0 HB3 LYS A 70 12.966 6.216 4.643 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.864 4.999 3.770 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.785 5.363 2.438 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.191 7.254 1.745 1.00 10.00 H new ATOM 0 HD3 LYS A 70 16.216 7.057 3.152 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.923 4.824 2.352 1.00 10.00 H new ATOM 0 HE3 LYS A 70 15.856 4.965 0.968 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.125 5.530 0.388 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.127 6.894 0.221 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 18.160 6.757 1.561 1.00 10.00 H new ATOM 1145 N LEU A 71 10.628 8.488 3.652 1.00 10.00 N ATOM 1146 CA LEU A 71 9.188 8.270 3.599 1.00 10.00 C ATOM 1147 C LEU A 71 8.431 9.591 3.521 1.00 10.00 C ATOM 1148 O LEU A 71 9.041 10.662 3.562 1.00 10.00 O ATOM 1149 CB LEU A 71 8.716 7.459 4.809 1.00 10.00 C ATOM 1150 CG LEU A 71 7.901 6.195 4.486 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.598 6.202 5.259 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.626 6.066 2.989 1.00 10.00 C ATOM 0 H LEU A 71 10.912 9.380 4.056 1.00 10.00 H new ATOM 0 HA LEU A 71 8.974 7.702 2.694 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.590 7.167 5.391 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.112 8.107 5.444 1.00 10.00 H new ATOM 0 HG LEU A 71 8.494 5.332 4.788 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.030 5.303 5.022 1.00 10.00 H new ATOM 0 HD12 LEU A 71 6.809 6.227 6.328 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.016 7.082 4.984 1.00 10.00 H new ATOM 0 HD21 LEU A 71 7.048 5.161 2.802 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.062 6.934 2.647 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.571 6.011 2.449 1.00 10.00 H new ATOM 1164 N LEU A 72 7.099 9.503 3.422 1.00 10.00 N ATOM 1165 CA LEU A 72 6.240 10.684 3.314 1.00 10.00 C ATOM 1166 C LEU A 72 6.377 11.597 4.519 1.00 10.00 C ATOM 1167 O LEU A 72 6.911 11.212 5.564 1.00 10.00 O ATOM 1168 CB LEU A 72 4.760 10.303 3.190 1.00 10.00 C ATOM 1169 CG LEU A 72 4.451 8.839 2.844 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.081 8.072 4.092 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.317 8.746 1.835 1.00 10.00 C ATOM 0 H LEU A 72 6.592 8.618 3.415 1.00 10.00 H new ATOM 0 HA LEU A 72 6.570 11.203 2.414 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.267 10.541 4.133 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.309 10.936 2.426 1.00 10.00 H new ATOM 0 HG LEU A 72 5.347 8.402 2.404 1.00 10.00 H new ATOM 0 HD11 LEU A 72 3.865 7.036 3.832 1.00 10.00 H new ATOM 0 HD12 LEU A 72 4.911 8.103 4.798 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.200 8.523 4.548 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.118 7.699 1.607 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.420 9.203 2.253 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.599 9.269 0.921 1.00 10.00 H new ATOM 1183 N LYS A 73 5.855 12.805 4.377 1.00 10.00 N ATOM 1184 CA LYS A 73 5.896 13.769 5.452 1.00 10.00 C ATOM 1185 C LYS A 73 4.850 13.402 6.487 1.00 10.00 C ATOM 1186 O LYS A 73 3.669 13.295 6.177 1.00 10.00 O ATOM 1187 CB LYS A 73 5.697 15.212 4.960 1.00 10.00 C ATOM 1188 CG LYS A 73 5.037 15.356 3.590 1.00 10.00 C ATOM 1189 CD LYS A 73 6.018 15.154 2.439 1.00 10.00 C ATOM 1190 CE LYS A 73 7.277 15.991 2.593 1.00 10.00 C ATOM 1191 NZ LYS A 73 7.650 16.686 1.334 1.00 10.00 N ATOM 0 H LYS A 73 5.399 13.136 3.527 1.00 10.00 H new ATOM 0 HA LYS A 73 6.889 13.735 5.899 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.093 15.747 5.693 1.00 10.00 H new ATOM 0 HB3 LYS A 73 6.669 15.704 4.929 1.00 10.00 H new ATOM 0 HG2 LYS A 73 4.228 14.631 3.503 1.00 10.00 H new ATOM 0 HG3 LYS A 73 4.588 16.346 3.510 1.00 10.00 H new ATOM 0 HD2 LYS A 73 6.291 14.100 2.379 1.00 10.00 H new ATOM 0 HD3 LYS A 73 5.528 15.410 1.499 1.00 10.00 H new ATOM 0 HE2 LYS A 73 7.126 16.728 3.381 1.00 10.00 H new ATOM 0 HE3 LYS A 73 8.100 15.350 2.909 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 8.669 16.896 1.342 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 7.429 16.075 0.522 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.114 17.574 1.256 1.00 10.00 H new ATOM 1205 N GLU A 74 5.318 13.175 7.698 1.00 10.00 N ATOM 1206 CA GLU A 74 4.480 12.788 8.838 1.00 10.00 C ATOM 1207 C GLU A 74 3.244 13.674 9.019 1.00 10.00 C ATOM 1208 O GLU A 74 2.275 13.267 9.644 1.00 10.00 O ATOM 1209 CB GLU A 74 5.305 12.812 10.126 1.00 10.00 C ATOM 1210 CG GLU A 74 5.554 14.208 10.677 1.00 10.00 C ATOM 1211 CD GLU A 74 6.494 15.023 9.814 1.00 10.00 C ATOM 1212 OE1 GLU A 74 7.714 14.778 9.864 1.00 10.00 O ATOM 1213 OE2 GLU A 74 6.016 15.910 9.078 1.00 10.00 O ATOM 0 H GLU A 74 6.308 13.253 7.932 1.00 10.00 H new ATOM 0 HA GLU A 74 4.124 11.781 8.623 1.00 10.00 H new ATOM 0 HB2 GLU A 74 4.793 12.220 10.884 1.00 10.00 H new ATOM 0 HB3 GLU A 74 6.265 12.330 9.939 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.603 14.733 10.766 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.969 14.128 11.682 1.00 10.00 H new ATOM 1220 N ASN A 75 3.293 14.887 8.511 1.00 10.00 N ATOM 1221 CA ASN A 75 2.164 15.801 8.646 1.00 10.00 C ATOM 1222 C ASN A 75 1.303 15.860 7.391 1.00 10.00 C ATOM 1223 O ASN A 75 0.413 16.705 7.279 1.00 10.00 O ATOM 1224 CB ASN A 75 2.656 17.193 9.004 1.00 10.00 C ATOM 1225 CG ASN A 75 2.552 17.465 10.491 1.00 10.00 C ATOM 1226 OD1 ASN A 75 2.643 16.415 11.289 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 2.383 18.605 10.919 1.00 10.00 N flip ATOM 0 H ASN A 75 4.092 15.267 8.004 1.00 10.00 H new ATOM 0 HA ASN A 75 1.536 15.414 9.449 1.00 10.00 H new ATOM 0 HB2 ASN A 75 3.693 17.304 8.686 1.00 10.00 H new ATOM 0 HB3 ASN A 75 2.074 17.935 8.458 1.00 10.00 H new ATOM 0 HD21 ASN A 75 2.318 19.389 10.270 1.00 10.00 H new ATOM 0 HD22 ASN A 75 2.308 18.767 11.923 1.00 10.00 H new ATOM 1234 N ALA A 76 1.567 14.978 6.447 1.00 10.00 N ATOM 1235 CA ALA A 76 0.790 14.942 5.213 1.00 10.00 C ATOM 1236 C ALA A 76 -0.030 13.668 5.116 1.00 10.00 C ATOM 1237 O ALA A 76 0.498 12.560 5.206 1.00 10.00 O ATOM 1238 CB ALA A 76 1.699 15.087 3.997 1.00 10.00 C ATOM 0 H ALA A 76 2.308 14.279 6.505 1.00 10.00 H new ATOM 0 HA ALA A 76 0.100 15.786 5.231 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.098 15.057 3.088 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.229 16.038 4.051 1.00 10.00 H new ATOM 0 HB3 ALA A 76 2.420 14.270 3.982 1.00 10.00 H new ATOM 1244 N VAL A 77 -1.323 13.845 4.906 1.00 10.00 N ATOM 1245 CA VAL A 77 -2.246 12.733 4.788 1.00 10.00 C ATOM 1246 C VAL A 77 -3.159 12.949 3.577 1.00 10.00 C ATOM 1247 O VAL A 77 -3.633 14.065 3.342 1.00 10.00 O ATOM 1248 CB VAL A 77 -3.064 12.536 6.097 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -3.451 13.860 6.732 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -4.303 11.686 5.860 1.00 10.00 C ATOM 0 H VAL A 77 -1.760 14.762 4.813 1.00 10.00 H new ATOM 0 HA VAL A 77 -1.677 11.816 4.633 1.00 10.00 H new ATOM 0 HB VAL A 77 -2.411 12.008 6.792 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -4.020 13.674 7.643 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -2.550 14.424 6.976 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -4.060 14.434 6.034 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -4.849 11.570 6.796 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -4.943 12.173 5.124 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -4.006 10.705 5.489 1.00 10.00 H new ATOM 1260 N PRO A 78 -3.369 11.882 2.779 1.00 10.00 N ATOM 1261 CA PRO A 78 -4.195 11.894 1.561 1.00 10.00 C ATOM 1262 C PRO A 78 -5.582 12.491 1.765 1.00 10.00 C ATOM 1263 O PRO A 78 -6.474 11.850 2.315 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.319 10.405 1.188 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.811 9.656 2.361 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.807 10.555 3.006 1.00 10.00 C ATOM 0 HA PRO A 78 -3.736 12.517 0.793 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.354 10.140 0.972 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.738 10.175 0.295 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.619 9.412 3.051 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.356 8.713 2.057 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -2.695 10.340 4.069 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.821 10.451 2.554 1.00 10.00 H new ATOM 1274 N THR A 79 -5.753 13.717 1.306 1.00 10.00 N ATOM 1275 CA THR A 79 -7.027 14.401 1.416 1.00 10.00 C ATOM 1276 C THR A 79 -7.729 14.398 0.057 1.00 10.00 C ATOM 1277 O THR A 79 -8.933 14.647 -0.039 1.00 10.00 O ATOM 1278 CB THR A 79 -6.851 15.846 1.939 1.00 10.00 C ATOM 1279 OG1 THR A 79 -8.041 16.270 2.616 1.00 10.00 O ATOM 1280 CG2 THR A 79 -6.532 16.819 0.809 1.00 10.00 C ATOM 0 H THR A 79 -5.020 14.262 0.851 1.00 10.00 H new ATOM 0 HA THR A 79 -7.644 13.868 2.140 1.00 10.00 H new ATOM 0 HB THR A 79 -6.010 15.846 2.633 1.00 10.00 H new ATOM 0 HG1 THR A 79 -7.921 17.185 2.946 1.00 10.00 H new ATOM 0 HG21 THR A 79 -6.416 17.824 1.216 1.00 10.00 H new ATOM 0 HG22 THR A 79 -5.607 16.516 0.319 1.00 10.00 H new ATOM 0 HG23 THR A 79 -7.346 16.813 0.084 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.960 14.074 -0.981 1.00 10.00 N ATOM 1289 CA ILE A 80 -7.459 14.036 -2.356 1.00 10.00 C ATOM 1290 C ILE A 80 -8.368 12.820 -2.593 1.00 10.00 C ATOM 1291 O ILE A 80 -8.769 12.551 -3.724 1.00 10.00 O ATOM 1292 CB ILE A 80 -6.305 14.004 -3.391 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -5.038 14.706 -2.855 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.754 14.629 -4.707 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.861 16.147 -3.303 1.00 10.00 C ATOM 0 H ILE A 80 -5.973 13.830 -0.893 1.00 10.00 H new ATOM 0 HA ILE A 80 -8.034 14.952 -2.493 1.00 10.00 H new ATOM 0 HB ILE A 80 -6.047 12.960 -3.570 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -5.061 14.681 -1.766 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -4.165 14.134 -3.169 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.933 14.599 -5.423 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.602 14.071 -5.104 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -7.049 15.664 -4.536 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.944 16.551 -2.875 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.801 16.185 -4.391 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.711 16.740 -2.966 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.658 12.077 -1.524 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.507 10.884 -1.594 1.00 10.00 C ATOM 1309 C PHE A 81 -10.780 11.118 -2.406 1.00 10.00 C ATOM 1310 O PHE A 81 -11.106 10.324 -3.288 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.892 10.420 -0.185 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.892 9.499 0.467 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.700 9.166 -0.160 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -9.155 8.960 1.714 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.796 8.315 0.444 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.254 8.108 2.323 1.00 10.00 C ATOM 1317 CZ PHE A 81 -7.073 7.786 1.686 1.00 10.00 C ATOM 0 H PHE A 81 -8.313 12.283 -0.587 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.922 10.115 -2.098 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -10.026 11.297 0.448 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.855 9.913 -0.234 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.476 9.578 -1.133 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -10.077 9.209 2.218 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.872 8.064 -0.057 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.474 7.695 3.296 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.367 7.120 2.160 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.487 12.205 -2.107 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.730 12.534 -2.795 1.00 10.00 C ATOM 1329 C LEU A 82 -13.188 13.930 -2.393 1.00 10.00 C ATOM 1330 O LEU A 82 -12.691 14.492 -1.417 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.821 11.516 -2.427 1.00 10.00 C ATOM 1332 CG LEU A 82 -14.465 10.723 -3.583 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.928 11.106 -3.741 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.720 10.922 -4.899 1.00 10.00 C ATOM 0 H LEU A 82 -11.217 12.876 -1.388 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.556 12.503 -3.870 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.393 10.801 -1.725 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.613 12.046 -1.899 1.00 10.00 H new ATOM 0 HG LEU A 82 -14.399 9.666 -3.327 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -16.367 10.537 -4.561 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -16.464 10.884 -2.818 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -16.004 12.172 -3.958 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -14.208 10.345 -5.684 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.729 11.979 -5.166 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.690 10.584 -4.788 1.00 10.00 H new