USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=29 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 33 CYS SG : rot 30:sc= -2.16! USER MOD Set 1.2: A 49 LYS NZ :NH3+ 151:sc= 1.39 (180deg=-0.251!) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 23 HIS :FLIP no HE2:sc= -5.31! C(o=-11!,f=-5.3!) USER MOD Set 3.1: A 5 CYS SG : rot -141:sc= 1.81 USER MOD Set 3.2: A 10 CYS SG : rot -108:sc= -2.1! USER MOD Set 3.3: A 12 ASN : amide:sc= 0.856 K(o=-2.5,f=-5.2!) USER MOD Set 3.4: A 54 CYS SG : rot 69:sc= -1.25! USER MOD Set 3.5: A 57 HIS : no HD1:sc= -1.78 K(o=-2.5,f=-15!) USER MOD Single : A 6 SER OG : rot -90:sc= -1.73! 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+ -134:sc= 1.28 (180deg=0.669) USER MOD Single : A 18 LYS NZ :NH3+ -120:sc= -0.0952 (180deg=-1.29) USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= -0.127 (180deg=-0.585) USER MOD Single : A 28 THR OG1 : rot -130:sc= -0.279 USER MOD Single : A 31 SER OG : rot 180:sc= 0.127 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00641) USER MOD Single : A 44 ASN : amide:sc= -0.0961 K(o=-0.096,f=-3) USER MOD Single : A 46 LYS NZ :NH3+ -130:sc= -0.0525 (180deg=-0.485) USER MOD Single : A 48 THR OG1 : rot -150:sc= -0.0419 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -140:sc= -0.532 USER MOD Single : A 52 SER OG : rot 180:sc= 0.00401 USER MOD Single : A 55 SER OG : rot 120:sc= -1.45 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 62 SER OG : rot -140:sc= -1.75 USER MOD Single : A 64 LYS NZ :NH3+ 174:sc=-0.00305 (180deg=-0.0792) USER MOD Single : A 67 SER OG : rot -128:sc= -1.82 USER MOD Single : A 68 ASN : amide:sc= -0.413 K(o=-0.41,f=-2!) USER MOD Single : A 69 ASN : amide:sc= -0.506! C(o=-0.51!,f=-7.9!) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.046) USER MOD Single : A 73 LYS NZ :NH3+ 136:sc=-0.00102 (180deg=-1.04) USER MOD Single : A 75 ASN : amide:sc= -0.405 X(o=-0.4,f=-0.047) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N CYS A 5 -8.002 1.459 -3.621 1.00 10.00 N ATOM 65 CA CYS A 5 -7.355 2.291 -2.621 1.00 10.00 C ATOM 66 C CYS A 5 -8.265 2.474 -1.407 1.00 10.00 C ATOM 67 O CYS A 5 -9.461 2.206 -1.475 1.00 10.00 O ATOM 68 CB CYS A 5 -6.993 3.655 -3.235 1.00 10.00 C ATOM 69 SG CYS A 5 -7.663 3.907 -4.892 1.00 10.00 S ATOM 0 HA CYS A 5 -6.441 1.799 -2.289 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.359 4.446 -2.581 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -5.908 3.749 -3.273 1.00 10.00 H new ATOM 0 HG CYS A 5 -6.784 4.521 -5.627 1.00 10.00 H new ATOM 74 N SER A 6 -7.693 2.954 -0.309 1.00 10.00 N ATOM 75 CA SER A 6 -8.422 3.156 0.938 1.00 10.00 C ATOM 76 C SER A 6 -9.383 4.350 0.882 1.00 10.00 C ATOM 77 O SER A 6 -10.004 4.699 1.880 1.00 10.00 O ATOM 78 CB SER A 6 -7.407 3.331 2.063 1.00 10.00 C ATOM 79 OG SER A 6 -6.275 2.503 1.834 1.00 10.00 O ATOM 0 H SER A 6 -6.708 3.215 -0.258 1.00 10.00 H new ATOM 0 HA SER A 6 -9.047 2.281 1.116 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.097 4.374 2.125 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.865 3.077 3.019 1.00 10.00 H new ATOM 0 HG SER A 6 -6.418 1.629 2.254 1.00 10.00 H new ATOM 85 N ALA A 7 -9.505 4.974 -0.282 1.00 10.00 N ATOM 86 CA ALA A 7 -10.395 6.119 -0.441 1.00 10.00 C ATOM 87 C ALA A 7 -11.856 5.681 -0.517 1.00 10.00 C ATOM 88 O ALA A 7 -12.166 4.491 -0.474 1.00 10.00 O ATOM 89 CB ALA A 7 -10.017 6.910 -1.681 1.00 10.00 C ATOM 0 H ALA A 7 -9.001 4.709 -1.128 1.00 10.00 H new ATOM 0 HA ALA A 7 -10.282 6.757 0.436 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.689 7.762 -1.788 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.991 7.267 -1.586 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.099 6.270 -2.560 1.00 10.00 H new ATOM 95 N TYR A 8 -12.748 6.648 -0.665 1.00 10.00 N ATOM 96 CA TYR A 8 -14.175 6.366 -0.732 1.00 10.00 C ATOM 97 C TYR A 8 -14.694 6.487 -2.167 1.00 10.00 C ATOM 98 O TYR A 8 -15.044 7.574 -2.622 1.00 10.00 O ATOM 99 CB TYR A 8 -14.945 7.316 0.211 1.00 10.00 C ATOM 100 CG TYR A 8 -16.460 7.275 0.076 1.00 10.00 C ATOM 101 CD1 TYR A 8 -17.127 6.096 -0.245 1.00 10.00 C ATOM 102 CD2 TYR A 8 -17.222 8.422 0.270 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.502 6.064 -0.372 1.00 10.00 C ATOM 104 CE2 TYR A 8 -18.600 8.396 0.147 1.00 10.00 C ATOM 105 CZ TYR A 8 -19.233 7.215 -0.177 1.00 10.00 C ATOM 106 OH TYR A 8 -20.605 7.179 -0.301 1.00 10.00 O ATOM 0 H TYR A 8 -12.509 7.637 -0.741 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.340 5.339 -0.407 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -14.681 7.073 1.240 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.607 8.336 0.028 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.559 5.190 -0.397 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -16.729 9.350 0.521 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -19.002 5.140 -0.623 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -19.176 9.296 0.304 1.00 10.00 H new ATOM 0 HH TYR A 8 -20.972 8.072 -0.132 1.00 10.00 H new ATOM 116 N GLY A 9 -14.703 5.366 -2.887 1.00 10.00 N ATOM 117 CA GLY A 9 -15.232 5.364 -4.238 1.00 10.00 C ATOM 118 C GLY A 9 -14.174 5.425 -5.324 1.00 10.00 C ATOM 119 O GLY A 9 -14.504 5.451 -6.507 1.00 10.00 O ATOM 0 H GLY A 9 -14.355 4.465 -2.559 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.830 4.464 -4.380 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.904 6.214 -4.354 1.00 10.00 H new ATOM 123 N CYS A 10 -12.905 5.448 -4.945 1.00 10.00 N ATOM 124 CA CYS A 10 -11.835 5.502 -5.930 1.00 10.00 C ATOM 125 C CYS A 10 -11.518 4.113 -6.477 1.00 10.00 C ATOM 126 O CYS A 10 -10.490 3.524 -6.148 1.00 10.00 O ATOM 127 CB CYS A 10 -10.569 6.141 -5.354 1.00 10.00 C ATOM 128 SG CYS A 10 -9.245 6.326 -6.569 1.00 10.00 S ATOM 0 H CYS A 10 -12.593 5.430 -3.974 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.189 6.127 -6.750 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.818 7.121 -4.947 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.209 5.533 -4.524 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.296 5.476 -6.310 1.00 10.00 H new ATOM 133 N LYS A 11 -12.413 3.584 -7.297 1.00 10.00 N ATOM 134 CA LYS A 11 -12.213 2.273 -7.907 1.00 10.00 C ATOM 135 C LYS A 11 -11.317 2.398 -9.142 1.00 10.00 C ATOM 136 O LYS A 11 -11.544 1.755 -10.167 1.00 10.00 O ATOM 137 CB LYS A 11 -13.561 1.658 -8.288 1.00 10.00 C ATOM 138 CG LYS A 11 -14.112 0.698 -7.246 1.00 10.00 C ATOM 139 CD LYS A 11 -14.250 -0.708 -7.809 1.00 10.00 C ATOM 140 CE LYS A 11 -14.821 -1.670 -6.783 1.00 10.00 C ATOM 141 NZ LYS A 11 -15.080 -3.009 -7.373 1.00 10.00 N ATOM 0 H LYS A 11 -13.287 4.041 -7.557 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.723 1.619 -7.185 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -14.283 2.459 -8.449 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.454 1.130 -9.235 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.452 0.682 -6.378 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -15.084 1.051 -6.901 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -14.896 -0.687 -8.687 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -13.275 -1.065 -8.139 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -14.126 -1.768 -5.949 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -15.749 -1.264 -6.379 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -15.469 -3.640 -6.644 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -15.762 -2.919 -8.153 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -14.190 -3.407 -7.736 1.00 10.00 H new ATOM 155 N ASN A 12 -10.280 3.210 -9.009 1.00 10.00 N ATOM 156 CA ASN A 12 -9.330 3.473 -10.089 1.00 10.00 C ATOM 157 C ASN A 12 -8.233 2.428 -10.135 1.00 10.00 C ATOM 158 O ASN A 12 -7.044 2.763 -10.160 1.00 10.00 O ATOM 159 CB ASN A 12 -8.690 4.835 -9.907 1.00 10.00 C ATOM 160 CG ASN A 12 -9.623 5.987 -10.251 1.00 10.00 C ATOM 161 OD1 ASN A 12 -10.617 5.803 -10.952 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.297 7.187 -9.791 1.00 10.00 N ATOM 0 H ASN A 12 -10.069 3.710 -8.145 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.890 3.440 -11.024 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -8.361 4.939 -8.873 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -7.800 4.898 -10.533 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -9.878 7.995 -10.016 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -8.465 7.303 -9.212 1.00 10.00 H new ATOM 169 N ARG A 13 -8.647 1.173 -10.088 1.00 10.00 N ATOM 170 CA ARG A 13 -7.731 0.028 -10.156 1.00 10.00 C ATOM 171 C ARG A 13 -6.660 0.283 -11.217 1.00 10.00 C ATOM 172 O ARG A 13 -6.982 0.733 -12.319 1.00 10.00 O ATOM 173 CB ARG A 13 -8.492 -1.269 -10.492 1.00 10.00 C ATOM 174 CG ARG A 13 -7.959 -2.540 -9.806 1.00 10.00 C ATOM 175 CD ARG A 13 -6.435 -2.556 -9.680 1.00 10.00 C ATOM 176 NE ARG A 13 -5.876 -3.913 -9.588 1.00 10.00 N ATOM 177 CZ ARG A 13 -4.585 -4.183 -9.381 1.00 10.00 C ATOM 178 NH1 ARG A 13 -3.727 -3.206 -9.121 1.00 10.00 N ATOM 179 NH2 ARG A 13 -4.155 -5.438 -9.399 1.00 10.00 N ATOM 0 H ARG A 13 -9.629 0.910 -10.001 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.260 -0.090 -9.180 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.539 -1.139 -10.216 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.463 -1.419 -11.571 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.401 -2.623 -8.813 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -8.281 -3.414 -10.372 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.000 -2.048 -10.541 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.144 -1.989 -8.796 1.00 10.00 H new ATOM 0 HE ARG A 13 -6.517 -4.700 -9.689 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -4.052 -2.240 -9.078 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -2.742 -3.420 -8.964 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -4.811 -6.200 -9.571 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -3.168 -5.641 -9.241 1.00 10.00 H new ATOM 193 N TYR A 14 -5.404 0.020 -10.835 1.00 10.00 N ATOM 194 CA TYR A 14 -4.216 0.196 -11.691 1.00 10.00 C ATOM 195 C TYR A 14 -4.533 0.223 -13.181 1.00 10.00 C ATOM 196 O TYR A 14 -4.860 -0.804 -13.782 1.00 10.00 O ATOM 197 CB TYR A 14 -3.219 -0.939 -11.445 1.00 10.00 C ATOM 198 CG TYR A 14 -1.809 -0.482 -11.129 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.104 0.366 -11.982 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.180 -0.910 -9.968 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.185 0.772 -11.675 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.100 -0.508 -9.658 1.00 10.00 C ATOM 203 CZ TYR A 14 0.780 0.333 -10.508 1.00 10.00 C ATOM 204 OH TYR A 14 2.056 0.737 -10.187 1.00 10.00 O ATOM 0 H TYR A 14 -5.177 -0.328 -9.904 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.799 1.166 -11.419 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.582 -1.551 -10.620 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.191 -1.578 -12.328 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.568 0.711 -12.894 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.705 -1.571 -9.295 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.721 1.428 -12.344 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.570 -0.853 -8.749 1.00 10.00 H new ATOM 0 HH TYR A 14 2.321 0.337 -9.333 1.00 10.00 H new ATOM 214 N ASP A 15 -4.440 1.402 -13.762 1.00 10.00 N ATOM 215 CA ASP A 15 -4.665 1.567 -15.174 1.00 10.00 C ATOM 216 C ASP A 15 -3.516 2.354 -15.741 1.00 10.00 C ATOM 217 O ASP A 15 -3.384 3.547 -15.489 1.00 10.00 O ATOM 218 CB ASP A 15 -5.988 2.271 -15.446 1.00 10.00 C ATOM 219 CG ASP A 15 -6.230 2.490 -16.926 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.643 1.750 -17.747 1.00 10.00 O ATOM 221 OD2 ASP A 15 -7.009 3.400 -17.271 1.00 10.00 O ATOM 0 H ASP A 15 -4.208 2.264 -13.268 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.723 0.589 -15.652 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.804 1.679 -15.030 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.998 3.232 -14.932 1.00 10.00 H new ATOM 226 N LYS A 16 -2.673 1.658 -16.478 1.00 10.00 N ATOM 227 CA LYS A 16 -1.493 2.245 -17.094 1.00 10.00 C ATOM 228 C LYS A 16 -1.854 3.414 -18.012 1.00 10.00 C ATOM 229 O LYS A 16 -1.016 4.270 -18.305 1.00 10.00 O ATOM 230 CB LYS A 16 -0.761 1.162 -17.881 1.00 10.00 C ATOM 231 CG LYS A 16 -0.991 1.246 -19.387 1.00 10.00 C ATOM 232 CD LYS A 16 -1.040 -0.129 -20.021 1.00 10.00 C ATOM 233 CE LYS A 16 -1.713 -0.095 -21.384 1.00 10.00 C ATOM 234 NZ LYS A 16 -3.195 -0.100 -21.276 1.00 10.00 N ATOM 0 H LYS A 16 -2.786 0.662 -16.669 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.849 2.641 -16.308 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.308 1.237 -17.680 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.085 0.184 -17.526 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.925 1.772 -19.584 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.193 1.831 -19.845 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.027 -0.518 -20.125 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -1.579 -0.813 -19.366 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.392 0.796 -21.924 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.390 -0.956 -21.969 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.590 -0.789 -21.948 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.472 -0.362 -20.308 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.562 0.848 -21.496 1.00 10.00 H new ATOM 248 N ASP A 17 -3.101 3.443 -18.457 1.00 10.00 N ATOM 249 CA ASP A 17 -3.566 4.494 -19.338 1.00 10.00 C ATOM 250 C ASP A 17 -3.685 5.804 -18.577 1.00 10.00 C ATOM 251 O ASP A 17 -3.506 6.889 -19.135 1.00 10.00 O ATOM 252 CB ASP A 17 -4.920 4.127 -19.927 1.00 10.00 C ATOM 253 CG ASP A 17 -4.806 3.406 -21.252 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.514 2.192 -21.254 1.00 10.00 O ATOM 255 OD2 ASP A 17 -5.021 4.050 -22.299 1.00 10.00 O ATOM 0 H ASP A 17 -3.808 2.747 -18.220 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.843 4.611 -20.145 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.460 3.496 -19.221 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.511 5.033 -20.061 1.00 10.00 H new ATOM 260 N LYS A 18 -3.985 5.680 -17.294 1.00 10.00 N ATOM 261 CA LYS A 18 -4.142 6.823 -16.418 1.00 10.00 C ATOM 262 C LYS A 18 -2.827 7.093 -15.679 1.00 10.00 C ATOM 263 O LYS A 18 -2.057 6.168 -15.419 1.00 10.00 O ATOM 264 CB LYS A 18 -5.297 6.563 -15.441 1.00 10.00 C ATOM 265 CG LYS A 18 -4.872 6.070 -14.066 1.00 10.00 C ATOM 266 CD LYS A 18 -6.053 5.531 -13.268 1.00 10.00 C ATOM 267 CE LYS A 18 -6.984 6.646 -12.816 1.00 10.00 C ATOM 268 NZ LYS A 18 -8.007 6.979 -13.838 1.00 10.00 N ATOM 0 H LYS A 18 -4.126 4.781 -16.833 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.385 7.711 -17.002 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.867 7.484 -15.321 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.969 5.828 -15.883 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -4.121 5.288 -14.176 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.404 6.886 -13.516 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.608 4.818 -13.877 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.686 4.988 -12.397 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.481 6.349 -11.892 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.397 7.536 -12.590 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -7.906 7.975 -14.118 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.876 6.370 -14.671 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.956 6.825 -13.442 1.00 10.00 H new ATOM 282 N PRO A 19 -2.542 8.356 -15.334 1.00 10.00 N ATOM 283 CA PRO A 19 -1.300 8.712 -14.653 1.00 10.00 C ATOM 284 C PRO A 19 -1.358 8.557 -13.131 1.00 10.00 C ATOM 285 O PRO A 19 -1.481 9.542 -12.399 1.00 10.00 O ATOM 286 CB PRO A 19 -1.133 10.180 -15.036 1.00 10.00 C ATOM 287 CG PRO A 19 -2.517 10.705 -15.212 1.00 10.00 C ATOM 288 CD PRO A 19 -3.386 9.534 -15.597 1.00 10.00 C ATOM 0 HA PRO A 19 -0.477 8.060 -14.946 1.00 10.00 H new ATOM 0 HB2 PRO A 19 -0.600 10.730 -14.260 1.00 10.00 H new ATOM 0 HB3 PRO A 19 -0.554 10.283 -15.954 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -2.875 11.165 -14.291 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -2.543 11.475 -15.984 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -4.302 9.507 -15.007 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.683 9.586 -16.645 1.00 10.00 H new ATOM 296 N VAL A 20 -1.263 7.315 -12.659 1.00 10.00 N ATOM 297 CA VAL A 20 -1.254 7.031 -11.224 1.00 10.00 C ATOM 298 C VAL A 20 -0.383 5.810 -10.936 1.00 10.00 C ATOM 299 O VAL A 20 -0.233 4.926 -11.782 1.00 10.00 O ATOM 300 CB VAL A 20 -2.663 6.795 -10.595 1.00 10.00 C ATOM 301 CG1 VAL A 20 -3.668 7.862 -10.997 1.00 10.00 C ATOM 302 CG2 VAL A 20 -3.192 5.408 -10.912 1.00 10.00 C ATOM 0 H VAL A 20 -1.191 6.487 -13.251 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.851 7.932 -10.760 1.00 10.00 H new ATOM 0 HB VAL A 20 -2.531 6.870 -9.516 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -4.630 7.649 -10.532 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -3.314 8.838 -10.667 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.782 7.865 -12.081 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -4.175 5.281 -10.458 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -3.274 5.288 -11.992 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.508 4.658 -10.514 1.00 10.00 H new ATOM 312 N SER A 21 0.216 5.790 -9.760 1.00 10.00 N ATOM 313 CA SER A 21 1.055 4.679 -9.336 1.00 10.00 C ATOM 314 C SER A 21 0.533 4.136 -8.008 1.00 10.00 C ATOM 315 O SER A 21 -0.169 4.854 -7.292 1.00 10.00 O ATOM 316 CB SER A 21 2.503 5.156 -9.190 1.00 10.00 C ATOM 317 OG SER A 21 2.545 6.498 -8.729 1.00 10.00 O ATOM 0 H SER A 21 0.137 6.539 -9.072 1.00 10.00 H new ATOM 0 HA SER A 21 1.025 3.884 -10.081 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.035 4.510 -8.492 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.015 5.080 -10.149 1.00 10.00 H new ATOM 0 HG SER A 21 3.478 6.784 -8.640 1.00 10.00 H new ATOM 323 N PHE A 22 0.869 2.896 -7.661 1.00 10.00 N ATOM 324 CA PHE A 22 0.395 2.321 -6.409 1.00 10.00 C ATOM 325 C PHE A 22 1.529 2.179 -5.396 1.00 10.00 C ATOM 326 O PHE A 22 2.683 1.946 -5.745 1.00 10.00 O ATOM 327 CB PHE A 22 -0.310 0.982 -6.637 1.00 10.00 C ATOM 328 CG PHE A 22 -1.806 1.110 -6.767 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.379 1.557 -7.947 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.638 0.786 -5.707 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.752 1.677 -8.067 1.00 10.00 C ATOM 332 CE2 PHE A 22 -4.009 0.905 -5.819 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.568 1.350 -7.001 1.00 10.00 C ATOM 0 H PHE A 22 1.459 2.280 -8.220 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.338 3.013 -5.993 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.088 0.519 -7.540 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.080 0.313 -5.808 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -1.746 1.815 -8.783 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -2.208 0.436 -4.780 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.185 2.026 -8.993 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.644 0.650 -4.983 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.640 1.442 -7.092 1.00 10.00 H new ATOM 343 N HIS A 23 1.162 2.375 -4.141 1.00 10.00 N ATOM 344 CA HIS A 23 2.082 2.329 -2.990 1.00 10.00 C ATOM 345 C HIS A 23 1.373 1.723 -1.808 1.00 10.00 C ATOM 346 O HIS A 23 0.219 1.430 -1.903 1.00 10.00 O ATOM 347 CB HIS A 23 2.487 3.723 -2.559 1.00 10.00 C ATOM 348 CG HIS A 23 2.097 4.776 -3.523 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.745 5.321 -4.575 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.853 5.328 -3.504 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.871 6.190 -5.174 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.733 6.161 -4.497 1.00 10.00 N flip ATOM 0 H HIS A 23 0.198 2.576 -3.876 1.00 10.00 H new ATOM 0 HA HIS A 23 2.954 1.750 -3.294 1.00 10.00 H new ATOM 0 HB2 HIS A 23 2.034 3.941 -1.592 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.568 3.752 -2.419 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.702 5.124 -4.868 1.00 10.00 H new ATOM 0 HD2 HIS A 23 0.084 5.109 -2.778 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.075 6.793 -6.046 1.00 10.00 H new ATOM 361 N LYS A 24 2.039 1.558 -0.692 1.00 10.00 N ATOM 362 CA LYS A 24 1.389 1.006 0.478 1.00 10.00 C ATOM 363 C LYS A 24 1.296 2.060 1.581 1.00 10.00 C ATOM 364 O LYS A 24 1.911 3.122 1.474 1.00 10.00 O ATOM 365 CB LYS A 24 2.129 -0.225 0.976 1.00 10.00 C ATOM 366 CG LYS A 24 1.450 -1.509 0.559 1.00 10.00 C ATOM 367 CD LYS A 24 2.209 -2.736 1.021 1.00 10.00 C ATOM 368 CE LYS A 24 1.436 -3.997 0.681 1.00 10.00 C ATOM 369 NZ LYS A 24 0.772 -3.897 -0.648 1.00 10.00 N ATOM 0 H LYS A 24 3.023 1.795 -0.566 1.00 10.00 H new ATOM 0 HA LYS A 24 0.379 0.705 0.200 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.149 -0.214 0.591 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.198 -0.190 2.063 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.440 -1.533 0.969 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.354 -1.531 -0.527 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.190 -2.764 0.547 1.00 10.00 H new ATOM 0 HD3 LYS A 24 2.377 -2.684 2.097 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.113 -4.851 0.686 1.00 10.00 H new ATOM 0 HE3 LYS A 24 0.685 -4.182 1.449 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 0.473 -4.843 -0.959 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 -0.060 -3.278 -0.574 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 1.439 -3.500 -1.340 1.00 10.00 H new ATOM 383 N PHE A 25 0.495 1.782 2.611 1.00 10.00 N ATOM 384 CA PHE A 25 0.333 2.705 3.743 1.00 10.00 C ATOM 385 C PHE A 25 1.677 2.985 4.412 1.00 10.00 C ATOM 386 O PHE A 25 2.606 2.182 4.316 1.00 10.00 O ATOM 387 CB PHE A 25 -0.578 2.096 4.813 1.00 10.00 C ATOM 388 CG PHE A 25 -1.986 2.641 4.875 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.890 2.383 3.868 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.407 3.387 5.963 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.183 2.866 3.932 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.700 3.868 6.039 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.587 3.610 5.019 1.00 10.00 C ATOM 0 H PHE A 25 -0.053 0.925 2.688 1.00 10.00 H new ATOM 0 HA PHE A 25 -0.098 3.623 3.344 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.633 1.020 4.645 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -0.110 2.243 5.786 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.584 1.794 3.016 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.714 3.596 6.765 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.877 2.660 3.130 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.014 4.445 6.896 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.597 3.990 5.070 1.00 10.00 H new ATOM 403 N PRO A 26 1.791 4.122 5.109 1.00 10.00 N ATOM 404 CA PRO A 26 3.007 4.482 5.843 1.00 10.00 C ATOM 405 C PRO A 26 3.160 3.588 7.066 1.00 10.00 C ATOM 406 O PRO A 26 2.918 4.010 8.197 1.00 10.00 O ATOM 407 CB PRO A 26 2.733 5.921 6.272 1.00 10.00 C ATOM 408 CG PRO A 26 1.256 5.980 6.378 1.00 10.00 C ATOM 409 CD PRO A 26 0.753 5.159 5.235 1.00 10.00 C ATOM 0 HA PRO A 26 3.920 4.372 5.257 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.212 6.154 7.223 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.111 6.636 5.541 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.913 5.580 7.332 1.00 10.00 H new ATOM 0 HG3 PRO A 26 0.896 7.007 6.315 1.00 10.00 H new ATOM 0 HD2 PRO A 26 -0.227 4.730 5.444 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.655 5.749 4.323 1.00 10.00 H new ATOM 417 N LEU A 27 3.551 2.349 6.829 1.00 10.00 N ATOM 418 CA LEU A 27 3.690 1.377 7.892 1.00 10.00 C ATOM 419 C LEU A 27 4.831 1.740 8.811 1.00 10.00 C ATOM 420 O LEU A 27 4.857 1.364 9.982 1.00 10.00 O ATOM 421 CB LEU A 27 3.881 -0.010 7.294 1.00 10.00 C ATOM 422 CG LEU A 27 2.584 -0.664 6.814 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.848 -2.050 6.250 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.588 -0.726 7.957 1.00 10.00 C ATOM 0 H LEU A 27 3.779 1.993 5.901 1.00 10.00 H new ATOM 0 HA LEU A 27 2.780 1.376 8.493 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.573 0.059 6.455 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.347 -0.655 8.039 1.00 10.00 H new ATOM 0 HG LEU A 27 2.163 -0.058 6.012 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.909 -2.492 5.916 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.534 -1.975 5.406 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.291 -2.679 7.022 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.666 -1.192 7.611 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.008 -1.313 8.774 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.374 0.283 8.309 1.00 10.00 H new ATOM 436 N THR A 28 5.764 2.492 8.277 1.00 10.00 N ATOM 437 CA THR A 28 6.905 2.932 9.033 1.00 10.00 C ATOM 438 C THR A 28 6.641 4.321 9.625 1.00 10.00 C ATOM 439 O THR A 28 7.547 4.990 10.127 1.00 10.00 O ATOM 440 CB THR A 28 8.152 2.920 8.134 1.00 10.00 C ATOM 441 OG1 THR A 28 8.033 3.909 7.104 1.00 10.00 O ATOM 442 CG2 THR A 28 8.294 1.550 7.494 1.00 10.00 C ATOM 0 H THR A 28 5.751 2.814 7.309 1.00 10.00 H new ATOM 0 HA THR A 28 7.083 2.251 9.866 1.00 10.00 H new ATOM 0 HB THR A 28 9.029 3.143 8.742 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.231 3.502 6.235 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.177 1.537 6.855 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.397 0.794 8.272 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.409 1.335 6.894 1.00 10.00 H new ATOM 450 N ARG A 29 5.373 4.731 9.564 1.00 10.00 N ATOM 451 CA ARG A 29 4.916 6.009 10.094 1.00 10.00 C ATOM 452 C ARG A 29 3.510 5.816 10.659 1.00 10.00 C ATOM 453 O ARG A 29 2.572 6.457 10.209 1.00 10.00 O ATOM 454 CB ARG A 29 4.875 7.059 8.972 1.00 10.00 C ATOM 455 CG ARG A 29 5.938 8.134 9.056 1.00 10.00 C ATOM 456 CD ARG A 29 5.498 9.291 9.934 1.00 10.00 C ATOM 457 NE ARG A 29 6.471 9.588 10.978 1.00 10.00 N ATOM 458 CZ ARG A 29 7.647 10.189 10.771 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.011 10.569 9.549 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.462 10.408 11.794 1.00 10.00 N ATOM 0 H ARG A 29 4.629 4.176 9.140 1.00 10.00 H new ATOM 0 HA ARG A 29 5.597 6.353 10.872 1.00 10.00 H new ATOM 0 HB2 ARG A 29 4.973 6.548 8.014 1.00 10.00 H new ATOM 0 HB3 ARG A 29 3.896 7.537 8.980 1.00 10.00 H new ATOM 0 HG2 ARG A 29 6.858 7.706 9.453 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.163 8.502 8.055 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.347 10.177 9.317 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.537 9.054 10.391 1.00 10.00 H new ATOM 0 HE ARG A 29 6.238 9.318 11.934 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.390 10.403 8.757 1.00 10.00 H new ATOM 0 HH12 ARG A 29 8.911 11.027 9.404 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.190 10.118 12.734 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.360 10.866 11.641 1.00 10.00 H new ATOM 474 N PRO A 30 3.357 4.936 11.666 1.00 10.00 N ATOM 475 CA PRO A 30 2.057 4.587 12.260 1.00 10.00 C ATOM 476 C PRO A 30 1.142 5.758 12.616 1.00 10.00 C ATOM 477 O PRO A 30 0.011 5.796 12.159 1.00 10.00 O ATOM 478 CB PRO A 30 2.418 3.834 13.528 1.00 10.00 C ATOM 479 CG PRO A 30 3.898 3.963 13.691 1.00 10.00 C ATOM 480 CD PRO A 30 4.447 4.206 12.326 1.00 10.00 C ATOM 0 HA PRO A 30 1.479 4.026 11.526 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.895 4.251 14.389 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.126 2.787 13.454 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.146 4.785 14.362 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.322 3.058 14.126 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.366 4.791 12.357 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.680 3.274 11.811 1.00 10.00 H new ATOM 488 N SER A 31 1.599 6.685 13.456 1.00 10.00 N ATOM 489 CA SER A 31 0.772 7.830 13.839 1.00 10.00 C ATOM 490 C SER A 31 0.210 8.486 12.587 1.00 10.00 C ATOM 491 O SER A 31 -0.998 8.697 12.458 1.00 10.00 O ATOM 492 CB SER A 31 1.612 8.820 14.641 1.00 10.00 C ATOM 493 OG SER A 31 2.798 8.199 15.118 1.00 10.00 O ATOM 0 H SER A 31 2.526 6.668 13.881 1.00 10.00 H new ATOM 0 HA SER A 31 -0.059 7.499 14.462 1.00 10.00 H new ATOM 0 HB2 SER A 31 1.869 9.676 14.017 1.00 10.00 H new ATOM 0 HB3 SER A 31 1.031 9.201 15.481 1.00 10.00 H new ATOM 0 HG SER A 31 3.325 8.849 15.628 1.00 10.00 H new ATOM 499 N LEU A 32 1.097 8.722 11.642 1.00 10.00 N ATOM 500 CA LEU A 32 0.736 9.317 10.375 1.00 10.00 C ATOM 501 C LEU A 32 -0.191 8.361 9.621 1.00 10.00 C ATOM 502 O LEU A 32 -1.155 8.775 8.991 1.00 10.00 O ATOM 503 CB LEU A 32 2.031 9.608 9.592 1.00 10.00 C ATOM 504 CG LEU A 32 1.902 10.305 8.232 1.00 10.00 C ATOM 505 CD1 LEU A 32 1.884 9.293 7.109 1.00 10.00 C ATOM 506 CD2 LEU A 32 0.669 11.173 8.178 1.00 10.00 C ATOM 0 H LEU A 32 2.090 8.506 11.733 1.00 10.00 H new ATOM 0 HA LEU A 32 0.200 10.256 10.513 1.00 10.00 H new ATOM 0 HB2 LEU A 32 2.674 10.222 10.223 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.548 8.661 9.436 1.00 10.00 H new ATOM 0 HG LEU A 32 2.774 10.947 8.105 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.792 9.811 6.154 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.810 8.718 7.122 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.037 8.619 7.240 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.605 11.654 7.202 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.216 10.558 8.338 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.726 11.935 8.955 1.00 10.00 H new ATOM 518 N CYS A 33 0.064 7.070 9.775 1.00 10.00 N ATOM 519 CA CYS A 33 -0.723 6.037 9.121 1.00 10.00 C ATOM 520 C CYS A 33 -2.152 6.129 9.600 1.00 10.00 C ATOM 521 O CYS A 33 -3.116 5.997 8.847 1.00 10.00 O ATOM 522 CB CYS A 33 -0.150 4.674 9.508 1.00 10.00 C ATOM 523 SG CYS A 33 -0.874 3.258 8.656 1.00 10.00 S ATOM 0 H CYS A 33 0.821 6.710 10.356 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.691 6.165 8.039 1.00 10.00 H new ATOM 0 HB2 CYS A 33 0.923 4.682 9.316 1.00 10.00 H new ATOM 0 HB3 CYS A 33 -0.280 4.536 10.581 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.275 3.621 7.474 1.00 10.00 H new ATOM 529 N LYS A 34 -2.242 6.451 10.861 1.00 10.00 N ATOM 530 CA LYS A 34 -3.486 6.538 11.556 1.00 10.00 C ATOM 531 C LYS A 34 -4.341 7.714 11.089 1.00 10.00 C ATOM 532 O LYS A 34 -5.571 7.608 11.089 1.00 10.00 O ATOM 533 CB LYS A 34 -3.173 6.616 13.043 1.00 10.00 C ATOM 534 CG LYS A 34 -4.219 7.327 13.870 1.00 10.00 C ATOM 535 CD LYS A 34 -3.554 8.304 14.825 1.00 10.00 C ATOM 536 CE LYS A 34 -4.373 8.502 16.091 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.741 9.480 17.016 1.00 10.00 N ATOM 0 H LYS A 34 -1.431 6.664 11.442 1.00 10.00 H new ATOM 0 HA LYS A 34 -4.087 5.654 11.341 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -3.050 5.604 13.429 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -2.218 7.125 13.174 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.911 7.859 13.217 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.806 6.600 14.431 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -2.562 7.937 15.088 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -3.417 9.264 14.327 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -5.372 8.847 15.826 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.491 7.545 16.600 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -4.331 9.586 17.866 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -2.797 9.139 17.290 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.652 10.400 16.540 1.00 10.00 H new ATOM 551 N GLU A 35 -3.741 8.818 10.638 1.00 10.00 N ATOM 552 CA GLU A 35 -4.588 9.922 10.217 1.00 10.00 C ATOM 553 C GLU A 35 -5.226 9.590 8.893 1.00 10.00 C ATOM 554 O GLU A 35 -6.235 10.185 8.519 1.00 10.00 O ATOM 555 CB GLU A 35 -3.887 11.270 10.132 1.00 10.00 C ATOM 556 CG GLU A 35 -2.410 11.209 9.836 1.00 10.00 C ATOM 557 CD GLU A 35 -1.682 12.451 10.308 1.00 10.00 C ATOM 558 OE1 GLU A 35 -2.009 13.555 9.829 1.00 10.00 O ATOM 559 OE2 GLU A 35 -0.789 12.330 11.178 1.00 10.00 O ATOM 0 H GLU A 35 -2.735 8.964 10.559 1.00 10.00 H new ATOM 0 HA GLU A 35 -5.339 10.036 10.999 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -4.372 11.865 9.358 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -4.031 11.796 11.076 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.980 10.332 10.319 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -2.260 11.087 8.763 1.00 10.00 H new ATOM 566 N TRP A 36 -4.652 8.626 8.180 1.00 10.00 N ATOM 567 CA TRP A 36 -5.227 8.221 6.921 1.00 10.00 C ATOM 568 C TRP A 36 -6.604 7.660 7.205 1.00 10.00 C ATOM 569 O TRP A 36 -7.532 7.852 6.425 1.00 10.00 O ATOM 570 CB TRP A 36 -4.335 7.210 6.196 1.00 10.00 C ATOM 571 CG TRP A 36 -3.029 7.792 5.736 1.00 10.00 C ATOM 572 CD1 TRP A 36 -2.324 8.790 6.343 1.00 10.00 C ATOM 573 CD2 TRP A 36 -2.276 7.423 4.571 1.00 10.00 C ATOM 574 NE1 TRP A 36 -1.188 9.074 5.630 1.00 10.00 N ATOM 575 CE2 TRP A 36 -1.130 8.244 4.541 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.455 6.481 3.550 1.00 10.00 C ATOM 577 CZ2 TRP A 36 -0.174 8.152 3.535 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.502 6.394 2.549 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.375 7.226 2.549 1.00 10.00 C ATOM 0 H TRP A 36 -3.806 8.125 8.453 1.00 10.00 H new ATOM 0 HA TRP A 36 -5.309 9.077 6.251 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -4.136 6.369 6.861 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.872 6.815 5.334 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -2.619 9.286 7.256 1.00 10.00 H new ATOM 0 HE1 TRP A 36 -0.499 9.786 5.871 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.320 5.835 3.544 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 0.697 8.790 3.533 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.630 5.673 1.755 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.350 7.134 1.754 1.00 10.00 H new ATOM 590 N GLU A 37 -6.755 7.059 8.390 1.00 10.00 N ATOM 591 CA GLU A 37 -8.037 6.505 8.791 1.00 10.00 C ATOM 592 C GLU A 37 -9.034 7.648 8.946 1.00 10.00 C ATOM 593 O GLU A 37 -10.210 7.523 8.603 1.00 10.00 O ATOM 594 CB GLU A 37 -7.927 5.754 10.121 1.00 10.00 C ATOM 595 CG GLU A 37 -6.695 4.872 10.254 1.00 10.00 C ATOM 596 CD GLU A 37 -6.795 3.572 9.490 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.632 2.729 9.862 1.00 10.00 O ATOM 598 OE2 GLU A 37 -6.002 3.371 8.549 1.00 10.00 O ATOM 0 H GLU A 37 -6.009 6.948 9.077 1.00 10.00 H new ATOM 0 HA GLU A 37 -8.367 5.801 8.028 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.926 6.480 10.934 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.815 5.135 10.248 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.824 5.424 9.902 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.528 4.652 11.308 1.00 10.00 H new ATOM 605 N ALA A 38 -8.516 8.785 9.415 1.00 10.00 N ATOM 606 CA ALA A 38 -9.313 9.978 9.644 1.00 10.00 C ATOM 607 C ALA A 38 -9.870 10.510 8.335 1.00 10.00 C ATOM 608 O ALA A 38 -10.871 11.229 8.319 1.00 10.00 O ATOM 609 CB ALA A 38 -8.477 11.043 10.340 1.00 10.00 C ATOM 0 H ALA A 38 -7.529 8.898 9.645 1.00 10.00 H new ATOM 0 HA ALA A 38 -10.152 9.716 10.289 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -9.085 11.932 10.506 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.124 10.660 11.298 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.622 11.300 9.715 1.00 10.00 H new ATOM 615 N ALA A 39 -9.216 10.156 7.236 1.00 10.00 N ATOM 616 CA ALA A 39 -9.655 10.586 5.925 1.00 10.00 C ATOM 617 C ALA A 39 -10.680 9.599 5.381 1.00 10.00 C ATOM 618 O ALA A 39 -11.539 9.948 4.570 1.00 10.00 O ATOM 619 CB ALA A 39 -8.469 10.721 4.991 1.00 10.00 C ATOM 0 H ALA A 39 -8.380 9.572 7.232 1.00 10.00 H new ATOM 0 HA ALA A 39 -10.127 11.565 6.003 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.814 11.045 4.009 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.772 11.457 5.392 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.966 9.758 4.899 1.00 10.00 H new ATOM 625 N VAL A 40 -10.599 8.362 5.866 1.00 10.00 N ATOM 626 CA VAL A 40 -11.522 7.310 5.461 1.00 10.00 C ATOM 627 C VAL A 40 -12.738 7.343 6.382 1.00 10.00 C ATOM 628 O VAL A 40 -13.143 6.344 6.974 1.00 10.00 O ATOM 629 CB VAL A 40 -10.883 5.917 5.509 1.00 10.00 C ATOM 630 CG1 VAL A 40 -11.623 4.979 4.575 1.00 10.00 C ATOM 631 CG2 VAL A 40 -9.400 5.964 5.152 1.00 10.00 C ATOM 0 H VAL A 40 -9.898 8.065 6.544 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.809 7.497 4.426 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.961 5.545 6.531 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -11.164 3.991 4.613 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -12.666 4.907 4.883 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.571 5.364 3.557 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.983 4.958 5.197 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -9.281 6.361 4.144 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.876 6.606 5.860 1.00 10.00 H new ATOM 641 N ARG A 41 -13.277 8.535 6.502 1.00 10.00 N ATOM 642 CA ARG A 41 -14.437 8.846 7.345 1.00 10.00 C ATOM 643 C ARG A 41 -15.737 8.154 6.903 1.00 10.00 C ATOM 644 O ARG A 41 -16.819 8.541 7.347 1.00 10.00 O ATOM 645 CB ARG A 41 -14.652 10.366 7.362 1.00 10.00 C ATOM 646 CG ARG A 41 -14.773 10.989 5.973 1.00 10.00 C ATOM 647 CD ARG A 41 -16.220 11.296 5.612 1.00 10.00 C ATOM 648 NE ARG A 41 -16.736 12.461 6.332 1.00 10.00 N ATOM 649 CZ ARG A 41 -17.601 12.399 7.344 1.00 10.00 C ATOM 650 NH1 ARG A 41 -18.021 11.224 7.797 1.00 10.00 N ATOM 651 NH2 ARG A 41 -18.038 13.517 7.912 1.00 10.00 N ATOM 0 H ARG A 41 -12.917 9.349 6.004 1.00 10.00 H new ATOM 0 HA ARG A 41 -14.209 8.463 8.340 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -15.555 10.589 7.930 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.821 10.835 7.889 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -14.187 11.907 5.935 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -14.350 10.310 5.233 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -16.295 11.472 4.539 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -16.840 10.428 5.837 1.00 10.00 H new ATOM 0 HE ARG A 41 -16.412 13.383 6.039 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -17.682 10.362 7.370 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -18.683 11.183 8.572 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -17.712 14.422 7.574 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -18.700 13.470 8.687 1.00 10.00 H new ATOM 665 N ARG A 42 -15.653 7.157 6.039 1.00 10.00 N ATOM 666 CA ARG A 42 -16.854 6.475 5.573 1.00 10.00 C ATOM 667 C ARG A 42 -16.999 5.095 6.217 1.00 10.00 C ATOM 668 O ARG A 42 -16.016 4.498 6.653 1.00 10.00 O ATOM 669 CB ARG A 42 -16.846 6.346 4.050 1.00 10.00 C ATOM 670 CG ARG A 42 -18.238 6.346 3.437 1.00 10.00 C ATOM 671 CD ARG A 42 -18.924 7.697 3.580 1.00 10.00 C ATOM 672 NE ARG A 42 -20.335 7.635 3.201 1.00 10.00 N ATOM 673 CZ ARG A 42 -21.224 8.597 3.461 1.00 10.00 C ATOM 674 NH1 ARG A 42 -20.848 9.699 4.099 1.00 10.00 N ATOM 675 NH2 ARG A 42 -22.489 8.451 3.087 1.00 10.00 N ATOM 0 H ARG A 42 -14.780 6.803 5.649 1.00 10.00 H new ATOM 0 HA ARG A 42 -17.710 7.080 5.871 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -16.270 7.169 3.626 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -16.335 5.424 3.773 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -18.169 6.084 2.381 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.845 5.578 3.917 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -18.840 8.039 4.611 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -18.413 8.431 2.958 1.00 10.00 H new ATOM 0 HE ARG A 42 -20.661 6.804 2.707 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -19.878 9.813 4.392 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -21.529 10.432 4.296 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -22.783 7.604 2.601 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -23.168 9.186 3.286 1.00 10.00 H new ATOM 689 N LYS A 43 -18.235 4.602 6.264 1.00 10.00 N ATOM 690 CA LYS A 43 -18.535 3.297 6.848 1.00 10.00 C ATOM 691 C LYS A 43 -17.893 2.171 6.045 1.00 10.00 C ATOM 692 O LYS A 43 -17.485 1.151 6.596 1.00 10.00 O ATOM 693 CB LYS A 43 -20.057 3.079 6.921 1.00 10.00 C ATOM 694 CG LYS A 43 -20.636 2.280 5.758 1.00 10.00 C ATOM 695 CD LYS A 43 -21.846 2.966 5.144 1.00 10.00 C ATOM 696 CE LYS A 43 -22.517 2.084 4.097 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.304 0.981 4.713 1.00 10.00 N ATOM 0 H LYS A 43 -19.052 5.093 5.901 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.120 3.282 7.856 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.294 2.565 7.853 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.549 4.051 6.959 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.870 2.144 4.995 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.920 1.287 6.106 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.563 3.212 5.928 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -21.539 3.906 4.686 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -23.174 2.694 3.477 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -21.758 1.663 3.438 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -23.783 0.438 3.967 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -22.666 0.353 5.243 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.013 1.380 5.361 1.00 10.00 H new ATOM 711 N ASN A 44 -17.792 2.369 4.739 1.00 10.00 N ATOM 712 CA ASN A 44 -17.229 1.361 3.860 1.00 10.00 C ATOM 713 C ASN A 44 -15.717 1.502 3.751 1.00 10.00 C ATOM 714 O ASN A 44 -15.165 1.569 2.650 1.00 10.00 O ATOM 715 CB ASN A 44 -17.889 1.416 2.475 1.00 10.00 C ATOM 716 CG ASN A 44 -18.041 2.825 1.934 1.00 10.00 C ATOM 717 OD1 ASN A 44 -17.196 3.688 2.153 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.135 3.068 1.226 1.00 10.00 N ATOM 0 H ASN A 44 -18.094 3.221 4.266 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.437 0.384 4.297 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.296 0.828 1.775 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.872 0.948 2.531 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -19.297 3.999 0.842 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -19.814 2.324 1.066 1.00 10.00 H new ATOM 725 N PHE A 45 -15.067 1.562 4.912 1.00 10.00 N ATOM 726 CA PHE A 45 -13.613 1.661 5.002 1.00 10.00 C ATOM 727 C PHE A 45 -12.983 0.545 4.175 1.00 10.00 C ATOM 728 O PHE A 45 -13.192 -0.637 4.450 1.00 10.00 O ATOM 729 CB PHE A 45 -13.182 1.567 6.482 1.00 10.00 C ATOM 730 CG PHE A 45 -11.736 1.910 6.757 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.727 1.036 6.402 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.386 3.103 7.375 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.403 1.337 6.645 1.00 10.00 C ATOM 734 CE2 PHE A 45 -10.065 3.410 7.622 1.00 10.00 C ATOM 735 CZ PHE A 45 -9.071 2.527 7.253 1.00 10.00 C ATOM 0 H PHE A 45 -15.535 1.543 5.818 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.275 2.619 4.607 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.814 2.232 7.070 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.371 0.553 6.835 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.979 0.100 5.926 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -12.159 3.799 7.666 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.628 0.641 6.359 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.808 4.342 8.104 1.00 10.00 H new ATOM 0 HZ PHE A 45 -8.035 2.769 7.441 1.00 10.00 H new ATOM 745 N LYS A 46 -12.251 0.940 3.146 1.00 10.00 N ATOM 746 CA LYS A 46 -11.592 0.001 2.247 1.00 10.00 C ATOM 747 C LYS A 46 -10.441 -0.707 2.962 1.00 10.00 C ATOM 748 O LYS A 46 -10.179 -0.410 4.117 1.00 10.00 O ATOM 749 CB LYS A 46 -11.113 0.759 1.017 1.00 10.00 C ATOM 750 CG LYS A 46 -11.731 0.250 -0.278 1.00 10.00 C ATOM 751 CD LYS A 46 -12.478 1.345 -1.017 1.00 10.00 C ATOM 752 CE LYS A 46 -13.767 1.702 -0.298 1.00 10.00 C ATOM 753 NZ LYS A 46 -14.713 0.558 -0.270 1.00 10.00 N ATOM 0 H LYS A 46 -12.096 1.920 2.909 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.293 -0.772 1.932 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.350 1.816 1.134 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.028 0.681 0.950 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.948 -0.152 -0.920 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.414 -0.570 -0.057 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -11.846 2.229 -1.100 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.702 1.017 -2.032 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.541 2.013 0.722 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -14.237 2.551 -0.793 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -15.649 0.873 -0.597 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -14.364 -0.196 -0.895 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.790 0.195 0.701 1.00 10.00 H new ATOM 767 N PRO A 47 -9.721 -1.637 2.296 1.00 10.00 N ATOM 768 CA PRO A 47 -8.634 -2.383 2.936 1.00 10.00 C ATOM 769 C PRO A 47 -7.648 -1.502 3.698 1.00 10.00 C ATOM 770 O PRO A 47 -7.461 -0.319 3.404 1.00 10.00 O ATOM 771 CB PRO A 47 -7.963 -3.113 1.790 1.00 10.00 C ATOM 772 CG PRO A 47 -9.020 -3.245 0.750 1.00 10.00 C ATOM 773 CD PRO A 47 -9.881 -2.022 0.883 1.00 10.00 C ATOM 0 HA PRO A 47 -9.019 -3.053 3.705 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.106 -2.555 1.414 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.594 -4.089 2.105 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.582 -3.308 -0.246 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.605 -4.153 0.900 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.555 -1.227 0.212 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.922 -2.236 0.641 1.00 10.00 H new ATOM 781 N THR A 48 -6.976 -2.136 4.635 1.00 10.00 N ATOM 782 CA THR A 48 -6.064 -1.476 5.542 1.00 10.00 C ATOM 783 C THR A 48 -4.699 -1.193 4.945 1.00 10.00 C ATOM 784 O THR A 48 -4.482 -1.312 3.739 1.00 10.00 O ATOM 785 CB THR A 48 -5.884 -2.362 6.774 1.00 10.00 C ATOM 786 OG1 THR A 48 -5.072 -3.503 6.446 1.00 10.00 O ATOM 787 CG2 THR A 48 -7.229 -2.845 7.247 1.00 10.00 C ATOM 0 H THR A 48 -7.050 -3.141 4.790 1.00 10.00 H new ATOM 0 HA THR A 48 -6.504 -0.509 5.786 1.00 10.00 H new ATOM 0 HB THR A 48 -5.398 -1.781 7.557 1.00 10.00 H new ATOM 0 HG1 THR A 48 -5.330 -4.261 7.011 1.00 10.00 H new ATOM 0 HG21 THR A 48 -7.100 -3.477 8.126 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.853 -1.989 7.504 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.709 -3.419 6.454 1.00 10.00 H new ATOM 795 N LYS A 49 -3.779 -0.858 5.840 1.00 10.00 N ATOM 796 CA LYS A 49 -2.408 -0.536 5.496 1.00 10.00 C ATOM 797 C LYS A 49 -1.693 -1.669 4.789 1.00 10.00 C ATOM 798 O LYS A 49 -0.613 -1.464 4.241 1.00 10.00 O ATOM 799 CB LYS A 49 -1.624 -0.136 6.748 1.00 10.00 C ATOM 800 CG LYS A 49 -2.049 -0.856 8.018 1.00 10.00 C ATOM 801 CD LYS A 49 -2.464 0.139 9.087 1.00 10.00 C ATOM 802 CE LYS A 49 -3.765 0.838 8.730 1.00 10.00 C ATOM 803 NZ LYS A 49 -3.978 2.064 9.539 1.00 10.00 N ATOM 0 H LYS A 49 -3.971 -0.803 6.840 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.454 0.302 4.800 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.565 -0.328 6.574 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.733 0.938 6.901 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.878 -1.529 7.800 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.227 -1.470 8.386 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.578 -0.377 10.040 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.677 0.881 9.219 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -3.758 1.099 7.672 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.599 0.153 8.884 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -4.542 2.746 8.993 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -4.483 1.819 10.414 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -3.058 2.487 9.777 1.00 10.00 H new ATOM 817 N TYR A 50 -2.263 -2.868 4.793 1.00 10.00 N ATOM 818 CA TYR A 50 -1.610 -3.952 4.107 1.00 10.00 C ATOM 819 C TYR A 50 -1.927 -3.862 2.632 1.00 10.00 C ATOM 820 O TYR A 50 -1.283 -4.498 1.803 1.00 10.00 O ATOM 821 CB TYR A 50 -2.044 -5.289 4.652 1.00 10.00 C ATOM 822 CG TYR A 50 -1.613 -5.552 6.073 1.00 10.00 C ATOM 823 CD1 TYR A 50 -0.317 -5.949 6.354 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.514 -5.457 7.121 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.075 -6.257 7.636 1.00 10.00 C ATOM 826 CE2 TYR A 50 -2.127 -5.749 8.420 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.828 -6.157 8.666 1.00 10.00 C ATOM 828 OH TYR A 50 -0.438 -6.510 9.937 1.00 10.00 O ATOM 0 H TYR A 50 -3.145 -3.101 5.249 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.534 -3.868 4.263 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -3.131 -5.355 4.597 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.644 -6.076 4.012 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.401 -6.018 5.550 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.531 -5.152 6.924 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.088 -6.576 7.832 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.833 -5.659 9.232 1.00 10.00 H new ATOM 0 HH TYR A 50 -1.187 -6.383 10.556 1.00 10.00 H new ATOM 838 N SER A 51 -2.952 -3.097 2.314 1.00 10.00 N ATOM 839 CA SER A 51 -3.321 -2.890 0.942 1.00 10.00 C ATOM 840 C SER A 51 -2.537 -1.705 0.392 1.00 10.00 C ATOM 841 O SER A 51 -1.845 -1.018 1.147 1.00 10.00 O ATOM 842 CB SER A 51 -4.814 -2.699 0.808 1.00 10.00 C ATOM 843 OG SER A 51 -5.437 -3.959 0.599 1.00 10.00 O ATOM 0 H SER A 51 -3.540 -2.612 2.992 1.00 10.00 H new ATOM 0 HA SER A 51 -3.070 -3.773 0.354 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.213 -2.229 1.707 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.032 -2.031 -0.025 1.00 10.00 H new ATOM 0 HG SER A 51 -6.152 -3.864 -0.064 1.00 10.00 H new ATOM 849 N SER A 52 -2.618 -1.474 -0.902 1.00 10.00 N ATOM 850 CA SER A 52 -1.870 -0.398 -1.513 1.00 10.00 C ATOM 851 C SER A 52 -2.780 0.755 -1.970 1.00 10.00 C ATOM 852 O SER A 52 -3.947 0.559 -2.304 1.00 10.00 O ATOM 853 CB SER A 52 -1.021 -0.973 -2.650 1.00 10.00 C ATOM 854 OG SER A 52 -1.445 -2.289 -2.999 1.00 10.00 O ATOM 0 H SER A 52 -3.192 -2.015 -1.548 1.00 10.00 H new ATOM 0 HA SER A 52 -1.205 0.046 -0.773 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.090 -0.323 -3.522 1.00 10.00 H new ATOM 0 HB3 SER A 52 0.027 -0.994 -2.350 1.00 10.00 H new ATOM 0 HG SER A 52 -0.886 -2.630 -3.728 1.00 10.00 H new ATOM 860 N ILE A 53 -2.215 1.964 -1.960 1.00 10.00 N ATOM 861 CA ILE A 53 -2.922 3.183 -2.309 1.00 10.00 C ATOM 862 C ILE A 53 -2.316 3.769 -3.587 1.00 10.00 C ATOM 863 O ILE A 53 -1.224 3.380 -3.978 1.00 10.00 O ATOM 864 CB ILE A 53 -2.845 4.208 -1.139 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.413 3.605 0.150 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.585 5.493 -1.473 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.450 2.691 0.876 1.00 10.00 C ATOM 0 H ILE A 53 -1.240 2.119 -1.705 1.00 10.00 H new ATOM 0 HA ILE A 53 -3.973 2.956 -2.486 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.792 4.447 -0.988 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.706 4.414 0.820 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.318 3.047 -0.090 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.510 6.185 -0.634 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.142 5.948 -2.359 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.634 5.269 -1.666 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -2.925 2.304 1.778 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.176 1.861 0.225 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.554 3.249 1.149 1.00 10.00 H new ATOM 879 N CYS A 54 -2.990 4.712 -4.227 1.00 10.00 N ATOM 880 CA CYS A 54 -2.495 5.277 -5.466 1.00 10.00 C ATOM 881 C CYS A 54 -2.186 6.784 -5.340 1.00 10.00 C ATOM 882 O CYS A 54 -2.728 7.476 -4.477 1.00 10.00 O ATOM 883 CB CYS A 54 -3.485 4.954 -6.577 1.00 10.00 C ATOM 884 SG CYS A 54 -5.196 5.307 -6.157 1.00 10.00 S ATOM 0 H CYS A 54 -3.878 5.099 -3.908 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.536 4.824 -5.717 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -3.215 5.523 -7.467 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.395 3.899 -6.834 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.367 6.593 -6.080 1.00 10.00 H new ATOM 889 N SER A 55 -1.288 7.246 -6.219 1.00 10.00 N ATOM 890 CA SER A 55 -0.750 8.625 -6.250 1.00 10.00 C ATOM 891 C SER A 55 -1.762 9.735 -5.973 1.00 10.00 C ATOM 892 O SER A 55 -1.609 10.479 -5.009 1.00 10.00 O ATOM 893 CB SER A 55 -0.090 8.861 -7.607 1.00 10.00 C ATOM 894 OG SER A 55 -0.961 8.506 -8.665 1.00 10.00 O ATOM 0 H SER A 55 -0.899 6.656 -6.955 1.00 10.00 H new ATOM 0 HA SER A 55 -0.038 8.685 -5.427 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.192 9.910 -7.700 1.00 10.00 H new ATOM 0 HB3 SER A 55 0.828 8.277 -7.675 1.00 10.00 H new ATOM 0 HG SER A 55 -1.130 9.291 -9.227 1.00 10.00 H new ATOM 900 N GLU A 56 -2.734 9.854 -6.869 1.00 10.00 N ATOM 901 CA GLU A 56 -3.826 10.841 -6.828 1.00 10.00 C ATOM 902 C GLU A 56 -4.319 11.236 -5.435 1.00 10.00 C ATOM 903 O GLU A 56 -4.880 12.312 -5.265 1.00 10.00 O ATOM 904 CB GLU A 56 -5.010 10.265 -7.607 1.00 10.00 C ATOM 905 CG GLU A 56 -5.017 8.737 -7.613 1.00 10.00 C ATOM 906 CD GLU A 56 -6.403 8.129 -7.690 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.122 8.400 -8.666 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.770 7.344 -6.775 1.00 10.00 O ATOM 0 H GLU A 56 -2.793 9.242 -7.683 1.00 10.00 H new ATOM 0 HA GLU A 56 -3.416 11.754 -7.260 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.940 10.628 -7.169 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.977 10.629 -8.634 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.429 8.384 -8.460 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.523 8.378 -6.710 1.00 10.00 H new ATOM 915 N HIS A 57 -4.121 10.387 -4.451 1.00 10.00 N ATOM 916 CA HIS A 57 -4.607 10.669 -3.108 1.00 10.00 C ATOM 917 C HIS A 57 -3.668 11.543 -2.276 1.00 10.00 C ATOM 918 O HIS A 57 -4.099 12.110 -1.271 1.00 10.00 O ATOM 919 CB HIS A 57 -4.909 9.363 -2.388 1.00 10.00 C ATOM 920 CG HIS A 57 -5.992 8.582 -3.061 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.226 9.107 -3.385 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.999 7.302 -3.509 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.927 8.154 -4.006 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.226 7.033 -4.111 1.00 10.00 N ATOM 0 H HIS A 57 -3.630 9.498 -4.549 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.520 11.254 -3.223 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -4.003 8.758 -2.341 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -5.203 9.577 -1.360 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.182 6.602 -3.414 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.934 8.280 -4.375 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.523 6.158 -4.542 1.00 10.00 H new ATOM 932 N PHE A 58 -2.408 11.684 -2.672 1.00 10.00 N ATOM 933 CA PHE A 58 -1.483 12.508 -1.897 1.00 10.00 C ATOM 934 C PHE A 58 -0.757 13.486 -2.783 1.00 10.00 C ATOM 935 O PHE A 58 -0.847 13.432 -4.011 1.00 10.00 O ATOM 936 CB PHE A 58 -0.434 11.683 -1.130 1.00 10.00 C ATOM 937 CG PHE A 58 -0.589 10.205 -1.244 1.00 10.00 C ATOM 938 CD1 PHE A 58 -1.403 9.501 -0.374 1.00 10.00 C ATOM 939 CD2 PHE A 58 0.098 9.518 -2.218 1.00 10.00 C ATOM 940 CE1 PHE A 58 -1.528 8.133 -0.484 1.00 10.00 C ATOM 941 CE2 PHE A 58 -0.021 8.159 -2.332 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.834 7.460 -1.466 1.00 10.00 C ATOM 0 H PHE A 58 -2.009 11.251 -3.505 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.103 13.035 -1.172 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.557 11.958 -1.490 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.477 11.958 -0.076 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -1.945 10.028 0.397 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.738 10.057 -2.900 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.167 7.591 0.197 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.524 7.633 -3.102 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.927 6.388 -1.557 1.00 10.00 H new ATOM 952 N THR A 59 -0.047 14.386 -2.143 1.00 10.00 N ATOM 953 CA THR A 59 0.735 15.369 -2.837 1.00 10.00 C ATOM 954 C THR A 59 2.054 14.760 -3.242 1.00 10.00 C ATOM 955 O THR A 59 2.589 13.910 -2.536 1.00 10.00 O ATOM 956 CB THR A 59 0.988 16.590 -1.948 1.00 10.00 C ATOM 957 OG1 THR A 59 1.133 16.173 -0.584 1.00 10.00 O ATOM 958 CG2 THR A 59 -0.155 17.577 -2.073 1.00 10.00 C ATOM 0 H THR A 59 0.001 14.453 -1.126 1.00 10.00 H new ATOM 0 HA THR A 59 0.185 15.693 -3.721 1.00 10.00 H new ATOM 0 HB THR A 59 1.906 17.080 -2.272 1.00 10.00 H new ATOM 0 HG1 THR A 59 1.296 16.956 -0.018 1.00 10.00 H new ATOM 0 HG21 THR A 59 0.038 18.440 -1.436 1.00 10.00 H new ATOM 0 HG22 THR A 59 -0.242 17.903 -3.109 1.00 10.00 H new ATOM 0 HG23 THR A 59 -1.084 17.099 -1.764 1.00 10.00 H new ATOM 966 N PRO A 60 2.568 15.157 -4.401 1.00 10.00 N ATOM 967 CA PRO A 60 3.852 14.685 -4.912 1.00 10.00 C ATOM 968 C PRO A 60 4.930 14.754 -3.846 1.00 10.00 C ATOM 969 O PRO A 60 5.777 13.870 -3.732 1.00 10.00 O ATOM 970 CB PRO A 60 4.158 15.672 -6.053 1.00 10.00 C ATOM 971 CG PRO A 60 3.120 16.745 -5.939 1.00 10.00 C ATOM 972 CD PRO A 60 1.934 16.085 -5.334 1.00 10.00 C ATOM 0 HA PRO A 60 3.821 13.644 -5.233 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.162 16.085 -5.957 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.108 15.178 -7.024 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.472 17.567 -5.316 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.880 17.165 -6.916 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.282 16.796 -4.827 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.326 15.569 -6.078 1.00 10.00 H new ATOM 980 N ASP A 61 4.854 15.794 -3.040 1.00 10.00 N ATOM 981 CA ASP A 61 5.813 16.009 -1.964 1.00 10.00 C ATOM 982 C ASP A 61 5.785 14.859 -0.972 1.00 10.00 C ATOM 983 O ASP A 61 6.825 14.388 -0.515 1.00 10.00 O ATOM 984 CB ASP A 61 5.492 17.291 -1.202 1.00 10.00 C ATOM 985 CG ASP A 61 5.323 18.489 -2.109 1.00 10.00 C ATOM 986 OD1 ASP A 61 4.217 18.683 -2.652 1.00 10.00 O ATOM 987 OD2 ASP A 61 6.304 19.241 -2.293 1.00 10.00 O ATOM 0 H ASP A 61 4.133 16.512 -3.108 1.00 10.00 H new ATOM 0 HA ASP A 61 6.798 16.080 -2.424 1.00 10.00 H new ATOM 0 HB2 ASP A 61 4.578 17.146 -0.626 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.290 17.492 -0.488 1.00 10.00 H new ATOM 992 N SER A 62 4.583 14.406 -0.661 1.00 10.00 N ATOM 993 CA SER A 62 4.384 13.344 0.308 1.00 10.00 C ATOM 994 C SER A 62 4.371 11.970 -0.336 1.00 10.00 C ATOM 995 O SER A 62 4.197 10.983 0.353 1.00 10.00 O ATOM 996 CB SER A 62 3.050 13.538 1.016 1.00 10.00 C ATOM 997 OG SER A 62 3.119 13.065 2.350 1.00 10.00 O ATOM 0 H SER A 62 3.720 14.763 -1.072 1.00 10.00 H new ATOM 0 HA SER A 62 5.218 13.396 1.008 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.781 14.594 1.013 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.265 13.007 0.477 1.00 10.00 H new ATOM 0 HG SER A 62 2.284 12.605 2.577 1.00 10.00 H new ATOM 1003 N PHE A 63 4.553 11.934 -1.642 1.00 10.00 N ATOM 1004 CA PHE A 63 4.495 10.690 -2.425 1.00 10.00 C ATOM 1005 C PHE A 63 4.961 9.415 -1.691 1.00 10.00 C ATOM 1006 O PHE A 63 4.121 8.620 -1.269 1.00 10.00 O ATOM 1007 CB PHE A 63 5.264 10.820 -3.732 1.00 10.00 C ATOM 1008 CG PHE A 63 4.383 11.029 -4.934 1.00 10.00 C ATOM 1009 CD1 PHE A 63 3.104 10.490 -4.982 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.838 11.761 -6.019 1.00 10.00 C ATOM 1011 CE1 PHE A 63 2.301 10.677 -6.085 1.00 10.00 C ATOM 1012 CE2 PHE A 63 4.034 11.951 -7.128 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.765 11.409 -7.161 1.00 10.00 C ATOM 0 H PHE A 63 4.747 12.764 -2.203 1.00 10.00 H new ATOM 0 HA PHE A 63 3.429 10.558 -2.613 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.959 11.656 -3.653 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.862 9.921 -3.883 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.735 9.917 -4.144 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.830 12.187 -5.998 1.00 10.00 H new ATOM 0 HE1 PHE A 63 1.309 10.252 -6.109 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.399 12.523 -7.968 1.00 10.00 H new ATOM 0 HZ PHE A 63 2.136 11.557 -8.026 1.00 10.00 H new ATOM 1023 N LYS A 64 6.284 9.214 -1.536 1.00 10.00 N ATOM 1024 CA LYS A 64 6.817 7.975 -0.888 1.00 10.00 C ATOM 1025 C LYS A 64 8.243 8.171 -0.342 1.00 10.00 C ATOM 1026 O LYS A 64 8.476 9.047 0.477 1.00 10.00 O ATOM 1027 CB LYS A 64 6.826 6.749 -1.835 1.00 10.00 C ATOM 1028 CG LYS A 64 5.535 6.473 -2.593 1.00 10.00 C ATOM 1029 CD LYS A 64 5.571 7.024 -4.013 1.00 10.00 C ATOM 1030 CE LYS A 64 6.710 6.448 -4.841 1.00 10.00 C ATOM 1031 NZ LYS A 64 6.706 4.962 -4.878 1.00 10.00 N ATOM 0 H LYS A 64 7.001 9.873 -1.840 1.00 10.00 H new ATOM 0 HA LYS A 64 6.130 7.779 -0.065 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.627 6.884 -2.562 1.00 10.00 H new ATOM 0 HB3 LYS A 64 7.074 5.865 -1.248 1.00 10.00 H new ATOM 0 HG2 LYS A 64 5.359 5.398 -2.627 1.00 10.00 H new ATOM 0 HG3 LYS A 64 4.698 6.917 -2.054 1.00 10.00 H new ATOM 0 HD2 LYS A 64 4.624 6.807 -4.506 1.00 10.00 H new ATOM 0 HD3 LYS A 64 5.669 8.109 -3.974 1.00 10.00 H new ATOM 0 HE2 LYS A 64 6.642 6.832 -5.859 1.00 10.00 H new ATOM 0 HE3 LYS A 64 7.660 6.793 -4.433 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 7.439 4.629 -5.536 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 6.900 4.591 -3.926 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 5.775 4.625 -5.198 1.00 10.00 H new ATOM 1045 N ARG A 65 9.202 7.349 -0.806 1.00 10.00 N ATOM 1046 CA ARG A 65 10.584 7.427 -0.333 1.00 10.00 C ATOM 1047 C ARG A 65 11.326 8.612 -0.939 1.00 10.00 C ATOM 1048 O ARG A 65 12.329 9.069 -0.394 1.00 10.00 O ATOM 1049 CB ARG A 65 11.335 6.114 -0.616 1.00 10.00 C ATOM 1050 CG ARG A 65 11.018 5.473 -1.966 1.00 10.00 C ATOM 1051 CD ARG A 65 11.135 3.952 -1.907 1.00 10.00 C ATOM 1052 NE ARG A 65 12.390 3.454 -2.487 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.878 2.223 -2.276 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.234 1.372 -1.475 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.010 1.843 -2.867 1.00 10.00 N ATOM 0 H ARG A 65 9.039 6.626 -1.507 1.00 10.00 H new ATOM 0 HA ARG A 65 10.548 7.581 0.746 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.407 6.306 -0.564 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.100 5.400 0.173 1.00 10.00 H new ATOM 0 HG2 ARG A 65 10.009 5.749 -2.273 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.699 5.862 -2.723 1.00 10.00 H new ATOM 0 HD2 ARG A 65 11.066 3.627 -0.869 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.293 3.507 -2.437 1.00 10.00 H new ATOM 0 HE ARG A 65 12.923 4.084 -3.087 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.367 1.657 -1.020 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.609 0.437 -1.318 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.507 2.489 -3.481 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.380 0.906 -2.706 1.00 10.00 H new ATOM 1069 N GLU A 66 10.823 9.112 -2.060 1.00 10.00 N ATOM 1070 CA GLU A 66 11.416 10.261 -2.731 1.00 10.00 C ATOM 1071 C GLU A 66 10.908 11.541 -2.078 1.00 10.00 C ATOM 1072 O GLU A 66 11.152 12.642 -2.565 1.00 10.00 O ATOM 1073 CB GLU A 66 11.110 10.260 -4.246 1.00 10.00 C ATOM 1074 CG GLU A 66 11.011 8.870 -4.859 1.00 10.00 C ATOM 1075 CD GLU A 66 9.616 8.285 -4.764 1.00 10.00 C ATOM 1076 OE1 GLU A 66 9.282 7.692 -3.713 1.00 10.00 O ATOM 1077 OE2 GLU A 66 8.851 8.413 -5.741 1.00 10.00 O ATOM 0 H GLU A 66 9.998 8.736 -2.527 1.00 10.00 H new ATOM 0 HA GLU A 66 12.499 10.203 -2.626 1.00 10.00 H new ATOM 0 HB2 GLU A 66 10.172 10.788 -4.417 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.890 10.819 -4.764 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.310 8.917 -5.906 1.00 10.00 H new ATOM 0 HG3 GLU A 66 11.714 8.205 -4.357 1.00 10.00 H new ATOM 1084 N SER A 67 10.173 11.367 -0.982 1.00 10.00 N ATOM 1085 CA SER A 67 9.591 12.467 -0.232 1.00 10.00 C ATOM 1086 C SER A 67 10.675 13.339 0.424 1.00 10.00 C ATOM 1087 O SER A 67 11.292 14.176 -0.239 1.00 10.00 O ATOM 1088 CB SER A 67 8.625 11.869 0.803 1.00 10.00 C ATOM 1089 OG SER A 67 8.354 12.728 1.889 1.00 10.00 O ATOM 0 H SER A 67 9.965 10.449 -0.590 1.00 10.00 H new ATOM 0 HA SER A 67 9.044 13.131 -0.901 1.00 10.00 H new ATOM 0 HB2 SER A 67 7.687 11.617 0.308 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.045 10.938 1.184 1.00 10.00 H new ATOM 0 HG SER A 67 8.514 12.252 2.731 1.00 10.00 H new ATOM 1095 N ASN A 68 10.894 13.151 1.717 1.00 10.00 N ATOM 1096 CA ASN A 68 11.884 13.936 2.449 1.00 10.00 C ATOM 1097 C ASN A 68 13.175 13.161 2.658 1.00 10.00 C ATOM 1098 O ASN A 68 14.209 13.487 2.078 1.00 10.00 O ATOM 1099 CB ASN A 68 11.320 14.381 3.802 1.00 10.00 C ATOM 1100 CG ASN A 68 11.241 15.890 3.920 1.00 10.00 C ATOM 1101 OD1 ASN A 68 11.200 16.601 2.917 1.00 10.00 O ATOM 1102 ND2 ASN A 68 11.208 16.391 5.145 1.00 10.00 N ATOM 0 H ASN A 68 10.400 12.462 2.284 1.00 10.00 H new ATOM 0 HA ASN A 68 12.113 14.815 1.846 1.00 10.00 H new ATOM 0 HB2 ASN A 68 10.326 13.955 3.937 1.00 10.00 H new ATOM 0 HB3 ASN A 68 11.947 13.988 4.602 1.00 10.00 H new ATOM 0 HD21 ASN A 68 11.146 17.400 5.282 1.00 10.00 H new ATOM 0 HD22 ASN A 68 11.244 15.768 5.952 1.00 10.00 H new ATOM 1109 N ASN A 69 13.115 12.138 3.496 1.00 10.00 N ATOM 1110 CA ASN A 69 14.294 11.331 3.782 1.00 10.00 C ATOM 1111 C ASN A 69 14.162 9.934 3.181 1.00 10.00 C ATOM 1112 O ASN A 69 14.941 9.548 2.314 1.00 10.00 O ATOM 1113 CB ASN A 69 14.563 11.261 5.298 1.00 10.00 C ATOM 1114 CG ASN A 69 13.424 10.651 6.104 1.00 10.00 C ATOM 1115 OD1 ASN A 69 12.245 10.791 5.760 1.00 10.00 O ATOM 1116 ND2 ASN A 69 13.768 9.961 7.177 1.00 10.00 N ATOM 0 H ASN A 69 12.270 11.847 3.988 1.00 10.00 H new ATOM 0 HA ASN A 69 15.151 11.815 3.314 1.00 10.00 H new ATOM 0 HB2 ASN A 69 15.468 10.678 5.469 1.00 10.00 H new ATOM 0 HB3 ASN A 69 14.758 12.267 5.668 1.00 10.00 H new ATOM 0 HD21 ASN A 69 13.050 9.522 7.753 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.752 9.867 7.429 1.00 10.00 H new ATOM 1123 N LYS A 70 13.177 9.180 3.643 1.00 10.00 N ATOM 1124 CA LYS A 70 12.954 7.835 3.141 1.00 10.00 C ATOM 1125 C LYS A 70 11.463 7.501 3.134 1.00 10.00 C ATOM 1126 O LYS A 70 11.060 6.449 2.647 1.00 10.00 O ATOM 1127 CB LYS A 70 13.737 6.817 3.988 1.00 10.00 C ATOM 1128 CG LYS A 70 13.833 5.424 3.374 1.00 10.00 C ATOM 1129 CD LYS A 70 14.594 5.432 2.053 1.00 10.00 C ATOM 1130 CE LYS A 70 16.102 5.439 2.263 1.00 10.00 C ATOM 1131 NZ LYS A 70 16.611 4.115 2.703 1.00 10.00 N ATOM 0 H LYS A 70 12.520 9.477 4.364 1.00 10.00 H new ATOM 0 HA LYS A 70 13.315 7.783 2.114 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.745 7.198 4.152 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.264 6.737 4.967 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.330 4.753 4.074 1.00 10.00 H new ATOM 0 HG3 LYS A 70 12.830 5.030 3.212 1.00 10.00 H new ATOM 0 HD2 LYS A 70 14.314 4.556 1.468 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.305 6.309 1.473 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.596 5.726 1.335 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.360 6.192 3.008 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 17.651 4.120 2.687 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 16.280 3.920 3.670 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 16.259 3.377 2.061 1.00 10.00 H new ATOM 1145 N LEU A 71 10.642 8.411 3.653 1.00 10.00 N ATOM 1146 CA LEU A 71 9.205 8.182 3.702 1.00 10.00 C ATOM 1147 C LEU A 71 8.429 9.479 3.495 1.00 10.00 C ATOM 1148 O LEU A 71 9.024 10.555 3.415 1.00 10.00 O ATOM 1149 CB LEU A 71 8.817 7.541 5.035 1.00 10.00 C ATOM 1150 CG LEU A 71 7.994 6.247 4.945 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.728 6.382 5.771 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.657 5.888 3.497 1.00 10.00 C ATOM 0 H LEU A 71 10.945 9.304 4.041 1.00 10.00 H new ATOM 0 HA LEU A 71 8.946 7.502 2.890 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.729 7.330 5.593 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.250 8.269 5.614 1.00 10.00 H new ATOM 0 HG LEU A 71 8.599 5.434 5.346 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.149 5.461 5.703 1.00 10.00 H new ATOM 0 HD12 LEU A 71 6.991 6.569 6.812 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.133 7.213 5.392 1.00 10.00 H new ATOM 0 HD21 LEU A 71 7.075 4.967 3.477 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.077 6.694 3.048 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.579 5.747 2.933 1.00 10.00 H new ATOM 1164 N LEU A 72 7.101 9.353 3.441 1.00 10.00 N ATOM 1165 CA LEU A 72 6.193 10.478 3.211 1.00 10.00 C ATOM 1166 C LEU A 72 6.308 11.568 4.265 1.00 10.00 C ATOM 1167 O LEU A 72 7.023 11.441 5.261 1.00 10.00 O ATOM 1168 CB LEU A 72 4.732 10.017 3.207 1.00 10.00 C ATOM 1169 CG LEU A 72 4.446 8.633 2.603 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.372 7.576 3.686 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.147 8.656 1.811 1.00 10.00 C ATOM 0 H LEU A 72 6.622 8.460 3.557 1.00 10.00 H new ATOM 0 HA LEU A 72 6.488 10.881 2.242 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.371 10.020 4.236 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.144 10.755 2.661 1.00 10.00 H new ATOM 0 HG LEU A 72 5.267 8.383 1.930 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.169 6.605 3.234 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.321 7.536 4.221 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.573 7.826 4.384 1.00 10.00 H new ATOM 0 HD21 LEU A 72 2.960 7.668 1.390 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.324 8.932 2.470 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.226 9.385 1.004 1.00 10.00 H new ATOM 1183 N LYS A 73 5.566 12.635 4.027 1.00 10.00 N ATOM 1184 CA LYS A 73 5.522 13.760 4.935 1.00 10.00 C ATOM 1185 C LYS A 73 4.679 13.378 6.146 1.00 10.00 C ATOM 1186 O LYS A 73 3.490 13.107 6.023 1.00 10.00 O ATOM 1187 CB LYS A 73 4.925 14.994 4.241 1.00 10.00 C ATOM 1188 CG LYS A 73 5.922 15.853 3.477 1.00 10.00 C ATOM 1189 CD LYS A 73 6.711 15.063 2.444 1.00 10.00 C ATOM 1190 CE LYS A 73 8.088 15.666 2.220 1.00 10.00 C ATOM 1191 NZ LYS A 73 8.025 16.973 1.517 1.00 10.00 N ATOM 0 H LYS A 73 4.979 12.743 3.200 1.00 10.00 H new ATOM 0 HA LYS A 73 6.535 14.010 5.252 1.00 10.00 H new ATOM 0 HB2 LYS A 73 4.150 14.663 3.550 1.00 10.00 H new ATOM 0 HB3 LYS A 73 4.437 15.614 4.993 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.390 16.663 2.979 1.00 10.00 H new ATOM 0 HG3 LYS A 73 6.614 16.313 4.182 1.00 10.00 H new ATOM 0 HD2 LYS A 73 6.814 14.029 2.775 1.00 10.00 H new ATOM 0 HD3 LYS A 73 6.163 15.043 1.502 1.00 10.00 H new ATOM 0 HE2 LYS A 73 8.585 15.797 3.181 1.00 10.00 H new ATOM 0 HE3 LYS A 73 8.695 14.972 1.639 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 8.671 17.646 1.977 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 8.306 16.847 0.524 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.054 17.342 1.557 1.00 10.00 H new ATOM 1205 N GLU A 74 5.320 13.310 7.296 1.00 10.00 N ATOM 1206 CA GLU A 74 4.657 12.960 8.554 1.00 10.00 C ATOM 1207 C GLU A 74 3.391 13.780 8.806 1.00 10.00 C ATOM 1208 O GLU A 74 2.434 13.291 9.396 1.00 10.00 O ATOM 1209 CB GLU A 74 5.620 13.155 9.720 1.00 10.00 C ATOM 1210 CG GLU A 74 4.947 13.106 11.081 1.00 10.00 C ATOM 1211 CD GLU A 74 5.866 13.496 12.214 1.00 10.00 C ATOM 1212 OE1 GLU A 74 6.481 14.583 12.142 1.00 10.00 O ATOM 1213 OE2 GLU A 74 5.961 12.728 13.190 1.00 10.00 O ATOM 0 H GLU A 74 6.318 13.495 7.393 1.00 10.00 H new ATOM 0 HA GLU A 74 4.360 11.914 8.472 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.390 12.385 9.677 1.00 10.00 H new ATOM 0 HB3 GLU A 74 6.123 14.115 9.608 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.084 13.772 11.076 1.00 10.00 H new ATOM 0 HG3 GLU A 74 4.571 12.098 11.257 1.00 10.00 H new ATOM 1220 N ASN A 75 3.393 15.023 8.381 1.00 10.00 N ATOM 1221 CA ASN A 75 2.237 15.885 8.590 1.00 10.00 C ATOM 1222 C ASN A 75 1.346 15.939 7.360 1.00 10.00 C ATOM 1223 O ASN A 75 0.536 16.854 7.203 1.00 10.00 O ATOM 1224 CB ASN A 75 2.685 17.288 8.943 1.00 10.00 C ATOM 1225 CG ASN A 75 2.542 17.588 10.423 1.00 10.00 C ATOM 1226 OD1 ASN A 75 2.210 18.708 10.815 1.00 10.00 O ATOM 1227 ND2 ASN A 75 2.799 16.591 11.253 1.00 10.00 N ATOM 0 H ASN A 75 4.172 15.463 7.892 1.00 10.00 H new ATOM 0 HA ASN A 75 1.662 15.461 9.413 1.00 10.00 H new ATOM 0 HB2 ASN A 75 3.726 17.419 8.648 1.00 10.00 H new ATOM 0 HB3 ASN A 75 2.099 18.008 8.371 1.00 10.00 H new ATOM 0 HD21 ASN A 75 2.725 16.734 12.260 1.00 10.00 H new ATOM 0 HD22 ASN A 75 3.071 15.679 10.886 1.00 10.00 H new ATOM 1234 N ALA A 76 1.484 14.951 6.509 1.00 10.00 N ATOM 1235 CA ALA A 76 0.697 14.886 5.282 1.00 10.00 C ATOM 1236 C ALA A 76 -0.100 13.598 5.197 1.00 10.00 C ATOM 1237 O ALA A 76 0.433 12.498 5.335 1.00 10.00 O ATOM 1238 CB ALA A 76 1.578 15.051 4.048 1.00 10.00 C ATOM 0 H ALA A 76 2.133 14.175 6.636 1.00 10.00 H new ATOM 0 HA ALA A 76 -0.009 15.716 5.311 1.00 10.00 H new ATOM 0 HB1 ALA A 76 0.961 14.998 3.151 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.080 16.018 4.086 1.00 10.00 H new ATOM 0 HB3 ALA A 76 2.323 14.256 4.024 1.00 10.00 H new ATOM 1244 N VAL A 77 -1.384 13.758 4.957 1.00 10.00 N ATOM 1245 CA VAL A 77 -2.297 12.637 4.841 1.00 10.00 C ATOM 1246 C VAL A 77 -3.209 12.843 3.628 1.00 10.00 C ATOM 1247 O VAL A 77 -3.658 13.961 3.368 1.00 10.00 O ATOM 1248 CB VAL A 77 -3.121 12.441 6.149 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -3.495 13.767 6.789 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -4.368 11.596 5.909 1.00 10.00 C ATOM 0 H VAL A 77 -1.826 14.669 4.836 1.00 10.00 H new ATOM 0 HA VAL A 77 -1.719 11.725 4.692 1.00 10.00 H new ATOM 0 HB VAL A 77 -2.475 11.904 6.844 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -4.068 13.584 7.698 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -2.589 14.320 7.037 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -4.096 14.351 6.092 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -4.916 11.482 6.844 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -5.005 12.088 5.173 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -4.076 10.614 5.538 1.00 10.00 H new ATOM 1260 N PRO A 78 -3.450 11.768 2.852 1.00 10.00 N ATOM 1261 CA PRO A 78 -4.285 11.788 1.642 1.00 10.00 C ATOM 1262 C PRO A 78 -5.656 12.421 1.846 1.00 10.00 C ATOM 1263 O PRO A 78 -6.585 11.788 2.345 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.443 10.304 1.281 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.950 9.548 2.460 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.921 10.427 3.097 1.00 10.00 C ATOM 0 HA PRO A 78 -3.818 12.395 0.866 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.484 10.062 1.068 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.869 10.055 0.388 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.762 9.329 3.153 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.519 8.592 2.161 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -2.816 10.221 4.162 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.937 10.291 2.647 1.00 10.00 H new ATOM 1274 N THR A 79 -5.765 13.676 1.451 1.00 10.00 N ATOM 1275 CA THR A 79 -7.008 14.410 1.561 1.00 10.00 C ATOM 1276 C THR A 79 -7.687 14.481 0.195 1.00 10.00 C ATOM 1277 O THR A 79 -8.868 14.804 0.080 1.00 10.00 O ATOM 1278 CB THR A 79 -6.767 15.829 2.127 1.00 10.00 C ATOM 1279 OG1 THR A 79 -7.980 16.356 2.683 1.00 10.00 O ATOM 1280 CG2 THR A 79 -6.231 16.778 1.060 1.00 10.00 C ATOM 0 H THR A 79 -4.997 14.212 1.047 1.00 10.00 H new ATOM 0 HA THR A 79 -7.663 13.885 2.256 1.00 10.00 H new ATOM 0 HB THR A 79 -6.015 15.746 2.912 1.00 10.00 H new ATOM 0 HG1 THR A 79 -7.814 17.254 3.039 1.00 10.00 H new ATOM 0 HG21 THR A 79 -6.074 17.765 1.496 1.00 10.00 H new ATOM 0 HG22 THR A 79 -5.285 16.397 0.676 1.00 10.00 H new ATOM 0 HG23 THR A 79 -6.950 16.852 0.244 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.911 14.150 -0.836 1.00 10.00 N ATOM 1289 CA ILE A 80 -7.378 14.173 -2.224 1.00 10.00 C ATOM 1290 C ILE A 80 -8.299 12.985 -2.536 1.00 10.00 C ATOM 1291 O ILE A 80 -8.655 12.760 -3.691 1.00 10.00 O ATOM 1292 CB ILE A 80 -6.199 14.155 -3.227 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.960 14.871 -2.657 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.629 14.774 -4.552 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.843 16.332 -3.029 1.00 10.00 C ATOM 0 H ILE A 80 -5.939 13.858 -0.734 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.936 15.103 -2.336 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.917 13.117 -3.402 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.978 14.788 -1.570 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -4.067 14.350 -3.002 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.792 14.756 -5.250 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.460 14.204 -4.967 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.942 15.805 -4.387 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.941 16.750 -2.582 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.789 16.428 -4.113 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.715 16.872 -2.660 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.645 12.204 -1.507 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.510 11.032 -1.672 1.00 10.00 C ATOM 1309 C PHE A 81 -10.716 11.320 -2.554 1.00 10.00 C ATOM 1310 O PHE A 81 -11.020 10.530 -3.447 1.00 10.00 O ATOM 1311 CB PHE A 81 -10.003 10.505 -0.322 1.00 10.00 C ATOM 1312 CG PHE A 81 -9.002 9.656 0.425 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.859 9.175 -0.197 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -9.221 9.319 1.751 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.962 8.382 0.484 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.318 8.526 2.438 1.00 10.00 C ATOM 1317 CZ PHE A 81 -7.189 8.057 1.801 1.00 10.00 C ATOM 0 H PHE A 81 -8.338 12.364 -0.548 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.894 10.276 -2.159 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -10.280 11.353 0.305 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.908 9.919 -0.484 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.670 9.426 -1.230 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -10.106 9.679 2.254 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -6.079 8.015 -0.017 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.498 8.275 3.473 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.485 7.436 2.335 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.390 12.443 -2.316 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.568 12.793 -3.096 1.00 10.00 C ATOM 1329 C LEU A 82 -13.062 14.187 -2.748 1.00 10.00 C ATOM 1330 O LEU A 82 -12.583 14.806 -1.796 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.683 11.784 -2.830 1.00 10.00 C ATOM 1332 CG LEU A 82 -14.592 11.494 -4.024 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -14.023 10.370 -4.880 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -15.991 11.155 -3.546 1.00 10.00 C ATOM 0 H LEU A 82 -11.141 13.120 -1.594 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.292 12.775 -4.150 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.234 10.848 -2.499 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.296 12.152 -2.007 1.00 10.00 H new ATOM 0 HG LEU A 82 -14.645 12.389 -4.644 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -14.688 10.182 -5.723 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -13.039 10.657 -5.251 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -13.934 9.465 -4.280 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -16.630 10.950 -4.405 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -15.953 10.275 -2.904 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -16.397 11.996 -2.984 1.00 10.00 H new