USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -46:sc= -1.69! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -27:sc= 0.118 USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= -1.78! (180deg=-4.41!) USER MOD Single : A 24 LYS NZ :NH3+ 152:sc= -1.49 (180deg=-2.45!) USER MOD Single : A 27 HIS : no HD1:sc= -0.053 X(o=-0.053,f=-0.0033) USER MOD Single : A 31 SER OG : rot 81:sc= 1.19 USER MOD Single : A 37 LYS NZ :NH3+ -116:sc= -1.72 (180deg=-4.17!) USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= -0.123 (180deg=-0.706) USER MOD Single : A 42 MET CE :methyl -142:sc= -0.0347 (180deg=-0.591) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.264 F(o=-2.2!,f=-0.26) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.22 F(o=-0.92,f=-0.22) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -1.14 (180deg=-1.72) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.304 F(o=-2.1,f=-0.3) USER MOD Single : A 54 TYR OH : rot -34:sc= 0.0145 USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.0926 (180deg=-0.607) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= -0.161 (180deg=-0.882) USER MOD Single : A 62 LYS NZ :NH3+ -162:sc= -0.0743 (180deg=-0.476) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 0.312 0.291 -0.938 1.00 0.00 N ATOM 86 CA PRO A 8 0.256 1.390 0.086 1.00 0.00 C ATOM 87 C PRO A 8 -0.218 2.740 -0.535 1.00 0.00 C ATOM 88 O PRO A 8 -0.539 2.764 -1.706 1.00 0.00 O ATOM 89 CB PRO A 8 1.693 1.428 0.643 1.00 0.00 C ATOM 90 CG PRO A 8 2.537 0.962 -0.551 1.00 0.00 C ATOM 91 CD PRO A 8 1.709 -0.192 -1.129 1.00 0.00 C ATOM 0 HA PRO A 8 -0.475 1.215 0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.973 2.430 0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.810 0.768 1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.681 1.760 -1.279 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.528 0.632 -0.240 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.938 -0.370 -2.180 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.891 -1.128 -0.600 1.00 0.00 H new ATOM 99 N PRO A 9 -0.264 3.800 0.256 1.00 0.00 N ATOM 100 CA PRO A 9 -0.312 5.231 -0.196 1.00 0.00 C ATOM 101 C PRO A 9 0.219 5.629 -1.598 1.00 0.00 C ATOM 102 O PRO A 9 0.747 4.824 -2.342 1.00 0.00 O ATOM 103 CB PRO A 9 0.395 5.940 0.952 1.00 0.00 C ATOM 104 CG PRO A 9 -0.233 5.226 2.171 1.00 0.00 C ATOM 105 CD PRO A 9 -0.274 3.734 1.753 1.00 0.00 C ATOM 0 HA PRO A 9 -1.347 5.516 -0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.477 5.813 0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.200 7.012 0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.365 5.372 3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.231 5.608 2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.585 3.184 2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.167 3.235 2.129 1.00 0.00 H new ATOM 113 N SER A 10 0.064 6.897 -1.901 1.00 0.00 N ATOM 114 CA SER A 10 0.512 7.449 -3.223 1.00 0.00 C ATOM 115 C SER A 10 1.721 8.393 -3.143 1.00 0.00 C ATOM 116 O SER A 10 2.715 8.168 -3.806 1.00 0.00 O ATOM 117 CB SER A 10 -0.675 8.202 -3.856 1.00 0.00 C ATOM 118 OG SER A 10 -1.708 7.232 -3.986 1.00 0.00 O ATOM 0 H SER A 10 -0.361 7.584 -1.279 1.00 0.00 H new ATOM 0 HA SER A 10 0.837 6.601 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.993 9.034 -3.228 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.404 8.620 -4.825 1.00 0.00 H new ATOM 0 HG SER A 10 -2.500 7.649 -4.384 1.00 0.00 H new ATOM 124 N ALA A 11 1.571 9.405 -2.325 1.00 0.00 N ATOM 125 CA ALA A 11 2.586 10.481 -2.062 1.00 0.00 C ATOM 126 C ALA A 11 1.743 11.671 -1.621 1.00 0.00 C ATOM 127 O ALA A 11 2.102 12.415 -0.729 1.00 0.00 O ATOM 128 CB ALA A 11 3.355 10.890 -3.324 1.00 0.00 C ATOM 0 H ALA A 11 0.715 9.538 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 11 3.328 10.143 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.074 11.670 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.882 10.025 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.655 11.266 -4.070 1.00 0.00 H new ATOM 134 N PHE A 12 0.618 11.808 -2.276 1.00 0.00 N ATOM 135 CA PHE A 12 -0.289 12.925 -1.933 1.00 0.00 C ATOM 136 C PHE A 12 -1.107 12.485 -0.742 1.00 0.00 C ATOM 137 O PHE A 12 -1.798 13.288 -0.161 1.00 0.00 O ATOM 138 CB PHE A 12 -1.133 13.253 -3.201 1.00 0.00 C ATOM 139 CG PHE A 12 -2.642 13.028 -3.286 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.503 13.627 -2.391 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.161 12.252 -4.297 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.857 13.453 -2.502 1.00 0.00 C ATOM 143 CE2 PHE A 12 -4.523 12.084 -4.408 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.376 12.681 -3.510 1.00 0.00 C ATOM 0 H PHE A 12 0.297 11.196 -3.026 1.00 0.00 H new ATOM 0 HA PHE A 12 0.227 13.843 -1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.967 14.308 -3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.691 12.686 -4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.106 14.239 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.499 11.774 -5.004 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.519 13.926 -1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.925 11.478 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.444 12.544 -3.597 1.00 0.00 H new ATOM 154 N PHE A 13 -1.012 11.232 -0.375 1.00 0.00 N ATOM 155 CA PHE A 13 -1.803 10.776 0.800 1.00 0.00 C ATOM 156 C PHE A 13 -1.278 11.592 2.005 1.00 0.00 C ATOM 157 O PHE A 13 -2.053 12.097 2.789 1.00 0.00 O ATOM 158 CB PHE A 13 -1.581 9.267 1.017 1.00 0.00 C ATOM 159 CG PHE A 13 -2.804 8.733 1.783 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.038 9.084 3.102 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.706 7.899 1.143 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.152 8.615 3.765 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.819 7.429 1.808 1.00 0.00 C ATOM 164 CZ PHE A 13 -5.044 7.787 3.119 1.00 0.00 C ATOM 0 H PHE A 13 -0.435 10.523 -0.827 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.873 10.930 0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.471 8.753 0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.666 9.090 1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.342 9.731 3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.536 7.615 0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.326 8.897 4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.516 6.779 1.300 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.917 7.420 3.639 1.00 0.00 H new ATOM 174 N LEU A 14 0.026 11.711 2.117 1.00 0.00 N ATOM 175 CA LEU A 14 0.630 12.486 3.249 1.00 0.00 C ATOM 176 C LEU A 14 -0.023 13.887 3.250 1.00 0.00 C ATOM 177 O LEU A 14 -0.603 14.338 4.220 1.00 0.00 O ATOM 178 CB LEU A 14 2.179 12.600 3.042 1.00 0.00 C ATOM 179 CG LEU A 14 2.982 11.240 2.953 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.497 10.165 3.943 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.075 10.662 1.521 1.00 0.00 C ATOM 0 H LEU A 14 0.700 11.302 1.470 1.00 0.00 H new ATOM 0 HA LEU A 14 0.454 11.989 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.360 13.163 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.591 13.186 3.864 1.00 0.00 H new ATOM 0 HG LEU A 14 3.992 11.521 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.096 9.262 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.602 10.536 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.450 9.935 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.640 9.730 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.072 10.470 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.579 11.378 0.872 1.00 0.00 H new ATOM 193 N PHE A 15 0.113 14.525 2.119 1.00 0.00 N ATOM 194 CA PHE A 15 -0.445 15.889 1.882 1.00 0.00 C ATOM 195 C PHE A 15 -1.925 15.964 2.319 1.00 0.00 C ATOM 196 O PHE A 15 -2.310 16.732 3.180 1.00 0.00 O ATOM 197 CB PHE A 15 -0.214 16.134 0.376 1.00 0.00 C ATOM 198 CG PHE A 15 -0.998 17.282 -0.288 1.00 0.00 C ATOM 199 CD1 PHE A 15 -0.951 18.587 0.169 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.753 16.990 -1.415 1.00 0.00 C ATOM 201 CE1 PHE A 15 -1.652 19.570 -0.508 1.00 0.00 C ATOM 202 CE2 PHE A 15 -2.445 17.973 -2.081 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.394 19.262 -1.627 1.00 0.00 C ATOM 0 H PHE A 15 0.609 14.139 1.316 1.00 0.00 H new ATOM 0 HA PHE A 15 0.035 16.670 2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.849 16.322 0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.453 15.213 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.372 18.837 1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.798 15.973 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.617 20.590 -0.155 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.026 17.729 -2.958 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.936 20.039 -2.146 1.00 0.00 H new ATOM 213 N CYS A 16 -2.713 15.137 1.690 1.00 0.00 N ATOM 214 CA CYS A 16 -4.177 15.042 1.953 1.00 0.00 C ATOM 215 C CYS A 16 -4.435 15.040 3.442 1.00 0.00 C ATOM 216 O CYS A 16 -5.197 15.848 3.920 1.00 0.00 O ATOM 217 CB CYS A 16 -4.760 13.740 1.337 1.00 0.00 C ATOM 218 SG CYS A 16 -4.630 12.152 2.195 1.00 0.00 S ATOM 0 H CYS A 16 -2.384 14.493 0.970 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.662 15.904 1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.821 13.920 1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.291 13.613 0.361 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.418 11.997 2.639 1.00 0.00 H new ATOM 223 N SER A 17 -3.781 14.132 4.119 1.00 0.00 N ATOM 224 CA SER A 17 -3.929 13.999 5.593 1.00 0.00 C ATOM 225 C SER A 17 -3.795 15.346 6.292 1.00 0.00 C ATOM 226 O SER A 17 -4.683 15.771 7.006 1.00 0.00 O ATOM 227 CB SER A 17 -2.858 13.046 6.095 1.00 0.00 C ATOM 228 OG SER A 17 -3.234 12.744 7.433 1.00 0.00 O ATOM 0 H SER A 17 -3.136 13.463 3.698 1.00 0.00 H new ATOM 0 HA SER A 17 -4.923 13.613 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.814 12.144 5.484 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.871 13.506 6.056 1.00 0.00 H new ATOM 0 HG SER A 17 -2.582 12.126 7.824 1.00 0.00 H new ATOM 234 N GLU A 18 -2.656 15.944 6.033 1.00 0.00 N ATOM 235 CA GLU A 18 -2.273 17.272 6.591 1.00 0.00 C ATOM 236 C GLU A 18 -3.485 18.197 6.696 1.00 0.00 C ATOM 237 O GLU A 18 -3.669 18.852 7.704 1.00 0.00 O ATOM 238 CB GLU A 18 -1.196 17.872 5.674 1.00 0.00 C ATOM 239 CG GLU A 18 -0.586 19.134 6.312 1.00 0.00 C ATOM 240 CD GLU A 18 0.587 19.634 5.444 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.332 19.936 4.288 1.00 0.00 O ATOM 242 OE2 GLU A 18 1.678 19.684 5.988 1.00 0.00 O ATOM 0 H GLU A 18 -1.944 15.539 5.425 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.882 17.155 7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.414 17.135 5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.631 18.121 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.344 19.912 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.237 18.912 7.321 1.00 0.00 H new ATOM 249 N TYR A 19 -4.268 18.213 5.640 1.00 0.00 N ATOM 250 CA TYR A 19 -5.490 19.095 5.648 1.00 0.00 C ATOM 251 C TYR A 19 -6.793 18.400 5.227 1.00 0.00 C ATOM 252 O TYR A 19 -7.746 19.036 4.814 1.00 0.00 O ATOM 253 CB TYR A 19 -5.221 20.321 4.728 1.00 0.00 C ATOM 254 CG TYR A 19 -5.139 20.054 3.216 1.00 0.00 C ATOM 255 CD1 TYR A 19 -4.497 18.969 2.659 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.733 20.975 2.377 1.00 0.00 C ATOM 257 CE1 TYR A 19 -4.452 18.816 1.293 1.00 0.00 C ATOM 258 CE2 TYR A 19 -5.691 20.822 1.012 1.00 0.00 C ATOM 259 CZ TYR A 19 -5.052 19.742 0.457 1.00 0.00 C ATOM 260 OH TYR A 19 -5.025 19.618 -0.916 1.00 0.00 O ATOM 0 H TYR A 19 -4.122 17.668 4.790 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.651 19.393 6.684 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.010 21.053 4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.284 20.781 5.042 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.027 18.236 3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.239 21.830 2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.943 17.964 0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.163 21.554 0.374 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.227 19.117 -1.184 1.00 0.00 H new ATOM 270 N ARG A 20 -6.807 17.100 5.355 1.00 0.00 N ATOM 271 CA ARG A 20 -8.007 16.299 4.983 1.00 0.00 C ATOM 272 C ARG A 20 -9.292 16.835 5.643 1.00 0.00 C ATOM 273 O ARG A 20 -10.247 17.070 4.930 1.00 0.00 O ATOM 274 CB ARG A 20 -7.702 14.817 5.370 1.00 0.00 C ATOM 275 CG ARG A 20 -8.938 13.917 5.216 1.00 0.00 C ATOM 276 CD ARG A 20 -8.454 12.457 5.245 1.00 0.00 C ATOM 277 NE ARG A 20 -9.639 11.550 5.248 1.00 0.00 N ATOM 278 CZ ARG A 20 -9.738 10.621 6.162 1.00 0.00 C ATOM 279 NH1 ARG A 20 -9.051 9.520 6.009 1.00 0.00 N ATOM 280 NH2 ARG A 20 -10.511 10.821 7.194 1.00 0.00 N ATOM 0 H ARG A 20 -6.023 16.551 5.708 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.200 16.372 3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.896 14.437 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.350 14.776 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.649 14.101 6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.454 14.131 4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.826 12.252 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.843 12.281 6.130 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.367 11.654 4.541 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.455 9.401 5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.111 8.780 6.708 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.030 11.695 7.281 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.596 10.103 7.914 1.00 0.00 H new ATOM 294 N PRO A 21 -9.318 17.042 6.944 1.00 0.00 N ATOM 295 CA PRO A 21 -10.565 17.403 7.672 1.00 0.00 C ATOM 296 C PRO A 21 -10.722 18.938 7.685 1.00 0.00 C ATOM 297 O PRO A 21 -11.598 19.476 8.335 1.00 0.00 O ATOM 298 CB PRO A 21 -10.337 16.784 9.031 1.00 0.00 C ATOM 299 CG PRO A 21 -8.839 17.119 9.279 1.00 0.00 C ATOM 300 CD PRO A 21 -8.167 16.954 7.890 1.00 0.00 C ATOM 0 HA PRO A 21 -11.496 17.044 7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.985 17.217 9.793 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.522 15.710 9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.717 18.133 9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.399 16.446 10.015 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.431 17.736 7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.647 16.000 7.805 1.00 0.00 H new ATOM 308 N LYS A 22 -9.862 19.587 6.940 1.00 0.00 N ATOM 309 CA LYS A 22 -9.870 21.073 6.847 1.00 0.00 C ATOM 310 C LYS A 22 -10.673 21.477 5.608 1.00 0.00 C ATOM 311 O LYS A 22 -11.444 22.413 5.667 1.00 0.00 O ATOM 312 CB LYS A 22 -8.411 21.578 6.732 1.00 0.00 C ATOM 313 CG LYS A 22 -8.344 23.118 6.916 1.00 0.00 C ATOM 314 CD LYS A 22 -8.673 23.589 8.370 1.00 0.00 C ATOM 315 CE LYS A 22 -7.555 23.217 9.380 1.00 0.00 C ATOM 316 NZ LYS A 22 -7.522 21.753 9.657 1.00 0.00 N ATOM 0 H LYS A 22 -9.139 19.135 6.381 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.327 21.513 7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.792 21.090 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.003 21.306 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.346 23.465 6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.042 23.589 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.818 24.669 8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.613 23.139 8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.589 23.534 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.712 23.760 10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.275 21.594 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.457 21.342 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.811 21.300 9.048 1.00 0.00 H new ATOM 330 N ILE A 23 -10.495 20.765 4.521 1.00 0.00 N ATOM 331 CA ILE A 23 -11.246 21.116 3.283 1.00 0.00 C ATOM 332 C ILE A 23 -12.597 20.440 3.403 1.00 0.00 C ATOM 333 O ILE A 23 -13.603 20.922 2.929 1.00 0.00 O ATOM 334 CB ILE A 23 -10.490 20.610 2.015 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.942 19.154 2.170 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.337 21.603 1.735 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.453 18.621 0.799 1.00 0.00 C ATOM 0 H ILE A 23 -9.868 19.965 4.441 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.350 22.196 3.178 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.189 20.570 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.122 19.140 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.722 18.503 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.785 21.280 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.748 22.598 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.665 21.632 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.073 17.606 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.283 18.617 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.658 19.264 0.421 1.00 0.00 H new ATOM 349 N LYS A 24 -12.546 19.321 4.063 1.00 0.00 N ATOM 350 CA LYS A 24 -13.736 18.485 4.316 1.00 0.00 C ATOM 351 C LYS A 24 -14.564 19.181 5.407 1.00 0.00 C ATOM 352 O LYS A 24 -15.777 19.070 5.426 1.00 0.00 O ATOM 353 CB LYS A 24 -13.179 17.150 4.727 1.00 0.00 C ATOM 354 CG LYS A 24 -14.313 16.117 4.933 1.00 0.00 C ATOM 355 CD LYS A 24 -13.750 14.676 4.924 1.00 0.00 C ATOM 356 CE LYS A 24 -12.740 14.433 6.062 1.00 0.00 C ATOM 357 NZ LYS A 24 -12.266 13.020 5.995 1.00 0.00 N ATOM 0 H LYS A 24 -11.684 18.940 4.453 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.404 18.347 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.488 16.790 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.608 17.258 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.819 16.309 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.058 16.226 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.573 13.967 5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.267 14.483 3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.897 15.118 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.206 14.629 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.306 12.957 6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.908 12.412 6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.253 12.705 5.004 1.00 0.00 H new ATOM 371 N GLY A 25 -13.875 19.883 6.277 1.00 0.00 N ATOM 372 CA GLY A 25 -14.557 20.612 7.388 1.00 0.00 C ATOM 373 C GLY A 25 -15.379 21.762 6.786 1.00 0.00 C ATOM 374 O GLY A 25 -16.462 22.076 7.241 1.00 0.00 O ATOM 0 H GLY A 25 -12.860 19.981 6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.205 19.934 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.822 21.001 8.093 1.00 0.00 H new ATOM 378 N GLU A 26 -14.807 22.347 5.765 1.00 0.00 N ATOM 379 CA GLU A 26 -15.437 23.486 5.037 1.00 0.00 C ATOM 380 C GLU A 26 -16.539 23.026 4.080 1.00 0.00 C ATOM 381 O GLU A 26 -17.631 23.559 4.084 1.00 0.00 O ATOM 382 CB GLU A 26 -14.350 24.211 4.236 1.00 0.00 C ATOM 383 CG GLU A 26 -13.292 24.788 5.187 1.00 0.00 C ATOM 384 CD GLU A 26 -13.862 25.995 5.956 1.00 0.00 C ATOM 385 OE1 GLU A 26 -14.191 26.963 5.289 1.00 0.00 O ATOM 386 OE2 GLU A 26 -13.937 25.879 7.168 1.00 0.00 O ATOM 0 H GLU A 26 -13.898 22.071 5.395 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.896 24.146 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.882 23.520 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.795 25.012 3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.969 24.020 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.412 25.092 4.620 1.00 0.00 H new ATOM 393 N HIS A 27 -16.201 22.040 3.293 1.00 0.00 N ATOM 394 CA HIS A 27 -17.127 21.456 2.292 1.00 0.00 C ATOM 395 C HIS A 27 -17.286 19.957 2.591 1.00 0.00 C ATOM 396 O HIS A 27 -16.661 19.121 1.965 1.00 0.00 O ATOM 397 CB HIS A 27 -16.513 21.698 0.891 1.00 0.00 C ATOM 398 CG HIS A 27 -15.878 23.093 0.854 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.521 24.214 0.862 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.543 23.464 0.815 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.679 25.198 0.832 1.00 0.00 C ATOM 402 NE2 HIS A 27 -14.437 24.777 0.802 1.00 0.00 N ATOM 0 H HIS A 27 -15.280 21.601 3.308 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.115 21.914 2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.763 20.938 0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.283 21.615 0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.710 22.776 0.798 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.965 26.239 0.832 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.585 25.337 0.775 1.00 0.00 H new ATOM 410 N PRO A 28 -18.117 19.648 3.558 1.00 0.00 N ATOM 411 CA PRO A 28 -18.620 18.267 3.771 1.00 0.00 C ATOM 412 C PRO A 28 -19.781 17.998 2.793 1.00 0.00 C ATOM 413 O PRO A 28 -20.773 17.390 3.151 1.00 0.00 O ATOM 414 CB PRO A 28 -19.017 18.278 5.240 1.00 0.00 C ATOM 415 CG PRO A 28 -19.627 19.702 5.386 1.00 0.00 C ATOM 416 CD PRO A 28 -18.653 20.597 4.573 1.00 0.00 C ATOM 0 HA PRO A 28 -17.909 17.464 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.739 17.496 5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.160 18.129 5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.641 19.747 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.680 20.011 6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.166 21.440 4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.863 21.011 5.200 1.00 0.00 H new ATOM 424 N GLY A 29 -19.604 18.470 1.583 1.00 0.00 N ATOM 425 CA GLY A 29 -20.623 18.301 0.515 1.00 0.00 C ATOM 426 C GLY A 29 -19.999 17.864 -0.811 1.00 0.00 C ATOM 427 O GLY A 29 -20.608 18.060 -1.845 1.00 0.00 O ATOM 0 H GLY A 29 -18.770 18.979 1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.359 17.561 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.157 19.240 0.372 1.00 0.00 H new ATOM 431 N LEU A 30 -18.819 17.290 -0.758 1.00 0.00 N ATOM 432 CA LEU A 30 -18.160 16.836 -2.016 1.00 0.00 C ATOM 433 C LEU A 30 -18.314 15.301 -2.052 1.00 0.00 C ATOM 434 O LEU A 30 -19.088 14.800 -2.844 1.00 0.00 O ATOM 435 CB LEU A 30 -16.655 17.222 -2.007 1.00 0.00 C ATOM 436 CG LEU A 30 -16.321 18.573 -1.371 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.790 18.756 -1.491 1.00 0.00 C ATOM 438 CD2 LEU A 30 -17.013 19.706 -2.143 1.00 0.00 C ATOM 0 H LEU A 30 -18.291 17.119 0.098 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.612 17.304 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.103 16.445 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.293 17.226 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.655 18.601 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.502 19.710 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.284 17.945 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.503 18.742 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.768 20.663 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.670 19.704 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -18.092 19.557 -2.118 1.00 0.00 H new ATOM 450 N SER A 31 -17.562 14.654 -1.187 1.00 0.00 N ATOM 451 CA SER A 31 -17.483 13.160 -0.962 1.00 0.00 C ATOM 452 C SER A 31 -16.021 12.750 -0.864 1.00 0.00 C ATOM 453 O SER A 31 -15.143 13.517 -1.181 1.00 0.00 O ATOM 454 CB SER A 31 -18.091 12.322 -2.121 1.00 0.00 C ATOM 455 OG SER A 31 -19.496 12.461 -1.965 1.00 0.00 O ATOM 0 H SER A 31 -16.933 15.159 -0.562 1.00 0.00 H new ATOM 0 HA SER A 31 -18.050 12.964 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.762 12.691 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.786 11.277 -2.057 1.00 0.00 H new ATOM 0 HG SER A 31 -19.786 13.311 -2.356 1.00 0.00 H new ATOM 461 N ILE A 32 -15.785 11.539 -0.436 1.00 0.00 N ATOM 462 CA ILE A 32 -14.382 11.042 -0.307 1.00 0.00 C ATOM 463 C ILE A 32 -13.748 10.837 -1.692 1.00 0.00 C ATOM 464 O ILE A 32 -12.576 10.551 -1.820 1.00 0.00 O ATOM 465 CB ILE A 32 -14.443 9.728 0.485 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.027 9.219 0.872 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.175 8.625 -0.328 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.264 10.250 1.743 1.00 0.00 C ATOM 0 H ILE A 32 -16.506 10.869 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.757 11.767 0.214 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.998 9.938 1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.115 8.278 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.455 9.013 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.205 7.704 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.192 8.949 -0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.642 8.447 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.278 9.857 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.153 11.183 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.823 10.436 2.660 1.00 0.00 H new ATOM 480 N GLY A 33 -14.583 11.001 -2.678 1.00 0.00 N ATOM 481 CA GLY A 33 -14.175 10.850 -4.104 1.00 0.00 C ATOM 482 C GLY A 33 -14.044 12.232 -4.747 1.00 0.00 C ATOM 483 O GLY A 33 -13.596 12.340 -5.871 1.00 0.00 O ATOM 0 H GLY A 33 -15.566 11.242 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.227 10.316 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.912 10.255 -4.643 1.00 0.00 H new ATOM 487 N ASP A 34 -14.427 13.254 -4.019 1.00 0.00 N ATOM 488 CA ASP A 34 -14.351 14.637 -4.531 1.00 0.00 C ATOM 489 C ASP A 34 -13.249 15.349 -3.774 1.00 0.00 C ATOM 490 O ASP A 34 -12.487 16.093 -4.348 1.00 0.00 O ATOM 491 CB ASP A 34 -15.722 15.244 -4.325 1.00 0.00 C ATOM 492 CG ASP A 34 -16.678 14.745 -5.429 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.403 15.064 -6.576 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.631 14.072 -5.076 1.00 0.00 O ATOM 0 H ASP A 34 -14.796 13.174 -3.071 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.103 14.708 -5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.109 14.970 -3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.657 16.332 -4.350 1.00 0.00 H new ATOM 499 N VAL A 35 -13.195 15.101 -2.497 1.00 0.00 N ATOM 500 CA VAL A 35 -12.160 15.710 -1.617 1.00 0.00 C ATOM 501 C VAL A 35 -10.837 15.161 -2.181 1.00 0.00 C ATOM 502 O VAL A 35 -9.838 15.842 -2.270 1.00 0.00 O ATOM 503 CB VAL A 35 -12.412 15.221 -0.159 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.224 15.559 0.755 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.659 15.890 0.453 1.00 0.00 C ATOM 0 H VAL A 35 -13.845 14.483 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.163 16.800 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.553 14.142 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.430 15.205 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.324 15.074 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.074 16.638 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.805 15.526 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.520 16.971 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.535 15.647 -0.149 1.00 0.00 H new ATOM 515 N ALA A 36 -10.935 13.913 -2.563 1.00 0.00 N ATOM 516 CA ALA A 36 -9.805 13.149 -3.127 1.00 0.00 C ATOM 517 C ALA A 36 -9.487 13.537 -4.558 1.00 0.00 C ATOM 518 O ALA A 36 -8.335 13.781 -4.846 1.00 0.00 O ATOM 519 CB ALA A 36 -10.156 11.671 -3.053 1.00 0.00 C ATOM 0 H ALA A 36 -11.800 13.377 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.912 13.374 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.337 11.081 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.321 11.388 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.062 11.483 -3.628 1.00 0.00 H new ATOM 525 N LYS A 37 -10.466 13.593 -5.429 1.00 0.00 N ATOM 526 CA LYS A 37 -10.103 13.978 -6.823 1.00 0.00 C ATOM 527 C LYS A 37 -9.724 15.468 -6.889 1.00 0.00 C ATOM 528 O LYS A 37 -8.975 15.861 -7.760 1.00 0.00 O ATOM 529 CB LYS A 37 -11.295 13.690 -7.798 1.00 0.00 C ATOM 530 CG LYS A 37 -12.292 14.879 -7.930 1.00 0.00 C ATOM 531 CD LYS A 37 -13.454 14.562 -8.914 1.00 0.00 C ATOM 532 CE LYS A 37 -12.936 14.135 -10.314 1.00 0.00 C ATOM 533 NZ LYS A 37 -12.503 12.705 -10.306 1.00 0.00 N ATOM 0 H LYS A 37 -11.451 13.399 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.244 13.381 -7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.897 13.449 -8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.835 12.810 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.703 15.117 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.757 15.764 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.073 13.766 -8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.091 15.440 -9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.721 14.278 -11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.101 14.771 -10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.482 12.651 -10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.707 12.286 -9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.019 12.182 -11.042 1.00 0.00 H new ATOM 547 N LYS A 38 -10.226 16.265 -5.977 1.00 0.00 N ATOM 548 CA LYS A 38 -9.901 17.713 -5.995 1.00 0.00 C ATOM 549 C LYS A 38 -8.501 17.932 -5.431 1.00 0.00 C ATOM 550 O LYS A 38 -7.653 18.488 -6.100 1.00 0.00 O ATOM 551 CB LYS A 38 -10.939 18.471 -5.143 1.00 0.00 C ATOM 552 CG LYS A 38 -10.726 20.003 -5.265 1.00 0.00 C ATOM 553 CD LYS A 38 -11.194 20.523 -6.654 1.00 0.00 C ATOM 554 CE LYS A 38 -12.733 20.556 -6.712 1.00 0.00 C ATOM 555 NZ LYS A 38 -13.237 21.558 -5.728 1.00 0.00 N ATOM 0 H LYS A 38 -10.846 15.969 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.929 18.086 -7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.946 18.211 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.853 18.168 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.278 20.514 -4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.672 20.240 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.794 21.521 -6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.806 19.879 -7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.066 20.815 -7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.139 19.570 -6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.180 21.887 -6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.298 21.120 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.584 22.367 -5.691 1.00 0.00 H new ATOM 569 N LEU A 39 -8.267 17.486 -4.223 1.00 0.00 N ATOM 570 CA LEU A 39 -6.916 17.687 -3.636 1.00 0.00 C ATOM 571 C LEU A 39 -5.914 16.814 -4.404 1.00 0.00 C ATOM 572 O LEU A 39 -4.766 17.185 -4.519 1.00 0.00 O ATOM 573 CB LEU A 39 -7.121 17.400 -2.112 1.00 0.00 C ATOM 574 CG LEU A 39 -6.603 16.096 -1.580 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.115 16.306 -1.219 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.369 15.737 -0.278 1.00 0.00 C ATOM 0 H LEU A 39 -8.941 17.001 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.482 18.683 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.647 18.205 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.189 17.450 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.730 15.302 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.701 15.377 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.562 16.602 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.031 17.088 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.997 14.790 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.215 16.522 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.433 15.647 -0.495 1.00 0.00 H new ATOM 588 N GLY A 40 -6.333 15.686 -4.920 1.00 0.00 N ATOM 589 CA GLY A 40 -5.372 14.827 -5.689 1.00 0.00 C ATOM 590 C GLY A 40 -4.834 15.664 -6.857 1.00 0.00 C ATOM 591 O GLY A 40 -3.673 15.578 -7.202 1.00 0.00 O ATOM 0 H GLY A 40 -7.284 15.324 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.556 14.496 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.870 13.931 -6.058 1.00 0.00 H new ATOM 595 N GLU A 41 -5.694 16.463 -7.439 1.00 0.00 N ATOM 596 CA GLU A 41 -5.239 17.311 -8.572 1.00 0.00 C ATOM 597 C GLU A 41 -4.280 18.358 -8.008 1.00 0.00 C ATOM 598 O GLU A 41 -3.201 18.534 -8.532 1.00 0.00 O ATOM 599 CB GLU A 41 -6.422 18.025 -9.228 1.00 0.00 C ATOM 600 CG GLU A 41 -7.250 17.041 -10.079 1.00 0.00 C ATOM 601 CD GLU A 41 -6.400 16.492 -11.242 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.017 17.295 -12.075 1.00 0.00 O ATOM 603 OE2 GLU A 41 -6.181 15.292 -11.227 1.00 0.00 O ATOM 0 H GLU A 41 -6.676 16.561 -7.180 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.755 16.688 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.055 18.471 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.059 18.839 -9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.601 16.218 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.134 17.544 -10.471 1.00 0.00 H new ATOM 610 N MET A 42 -4.704 19.013 -6.951 1.00 0.00 N ATOM 611 CA MET A 42 -3.863 20.068 -6.297 1.00 0.00 C ATOM 612 C MET A 42 -2.432 19.582 -6.131 1.00 0.00 C ATOM 613 O MET A 42 -1.489 20.280 -6.431 1.00 0.00 O ATOM 614 CB MET A 42 -4.450 20.378 -4.959 1.00 0.00 C ATOM 615 CG MET A 42 -5.846 21.014 -5.133 1.00 0.00 C ATOM 616 SD MET A 42 -5.917 22.688 -5.824 1.00 0.00 S ATOM 617 CE MET A 42 -6.298 22.281 -7.548 1.00 0.00 C ATOM 0 H MET A 42 -5.610 18.859 -6.508 1.00 0.00 H new ATOM 0 HA MET A 42 -3.849 20.962 -6.920 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.527 19.467 -4.366 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.796 21.059 -4.414 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.437 20.359 -5.773 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.333 21.031 -4.158 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.760 22.960 -8.210 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.994 21.255 -7.755 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.370 22.383 -7.718 1.00 0.00 H new ATOM 627 N TRP A 43 -2.353 18.379 -5.632 1.00 0.00 N ATOM 628 CA TRP A 43 -1.067 17.684 -5.393 1.00 0.00 C ATOM 629 C TRP A 43 -0.241 17.718 -6.659 1.00 0.00 C ATOM 630 O TRP A 43 0.899 18.138 -6.651 1.00 0.00 O ATOM 631 CB TRP A 43 -1.403 16.283 -4.997 1.00 0.00 C ATOM 632 CG TRP A 43 -0.170 15.407 -5.029 1.00 0.00 C ATOM 633 CD1 TRP A 43 0.077 14.465 -5.965 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.817 15.421 -4.124 1.00 0.00 C ATOM 635 NE1 TRP A 43 1.218 13.956 -5.554 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.753 14.459 -4.450 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.978 16.221 -3.000 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.863 14.287 -3.638 1.00 0.00 C ATOM 639 CZ3 TRP A 43 2.082 16.052 -2.188 1.00 0.00 C ATOM 640 CH2 TRP A 43 3.022 15.084 -2.510 1.00 0.00 C ATOM 0 H TRP A 43 -3.171 17.829 -5.370 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.481 18.162 -4.607 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.834 16.276 -3.996 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.159 15.881 -5.672 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.512 14.198 -6.830 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.675 13.201 -6.066 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.241 16.974 -2.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.601 13.537 -3.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.212 16.668 -1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.887 14.948 -1.878 1.00 0.00 H new ATOM 651 N ASN A 44 -0.879 17.271 -7.711 1.00 0.00 N ATOM 652 CA ASN A 44 -0.176 17.242 -9.024 1.00 0.00 C ATOM 653 C ASN A 44 0.357 18.642 -9.371 1.00 0.00 C ATOM 654 O ASN A 44 1.261 18.783 -10.170 1.00 0.00 O ATOM 655 CB ASN A 44 -1.156 16.727 -10.120 1.00 0.00 C ATOM 656 CG ASN A 44 -1.624 15.310 -9.735 1.00 0.00 C ATOM 657 OD1 ASN A 44 -2.895 15.015 -9.771 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -0.831 14.454 -9.396 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.840 16.931 -7.717 1.00 0.00 H new ATOM 0 HA ASN A 44 0.676 16.565 -8.970 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.011 17.397 -10.208 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.662 16.711 -11.092 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.166 14.667 -9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.162 13.522 -9.145 1.00 0.00 H new ATOM 665 N ASN A 45 -0.248 19.627 -8.744 1.00 0.00 N ATOM 666 CA ASN A 45 0.137 21.064 -8.949 1.00 0.00 C ATOM 667 C ASN A 45 0.533 21.784 -7.630 1.00 0.00 C ATOM 668 O ASN A 45 0.270 22.966 -7.500 1.00 0.00 O ATOM 669 CB ASN A 45 -1.058 21.806 -9.586 1.00 0.00 C ATOM 670 CG ASN A 45 -1.776 20.892 -10.577 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.989 20.529 -10.265 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.252 20.509 -11.605 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.012 19.491 -8.082 1.00 0.00 H new ATOM 0 HA ASN A 45 1.014 21.079 -9.597 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.751 22.129 -8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.709 22.704 -10.095 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.302 20.803 -11.834 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.762 19.894 -12.239 1.00 0.00 H new ATOM 679 N THR A 46 1.151 21.106 -6.684 1.00 0.00 N ATOM 680 CA THR A 46 1.526 21.820 -5.414 1.00 0.00 C ATOM 681 C THR A 46 2.816 22.579 -5.731 1.00 0.00 C ATOM 682 O THR A 46 2.928 23.758 -5.454 1.00 0.00 O ATOM 683 CB THR A 46 1.741 20.779 -4.239 1.00 0.00 C ATOM 684 OG1 THR A 46 1.952 21.612 -3.104 1.00 0.00 O ATOM 685 CG2 THR A 46 3.027 19.920 -4.300 1.00 0.00 C ATOM 0 H THR A 46 1.406 20.119 -6.732 1.00 0.00 H new ATOM 0 HA THR A 46 0.743 22.502 -5.082 1.00 0.00 H new ATOM 0 HB THR A 46 0.896 20.091 -4.255 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.096 21.054 -2.311 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.057 19.249 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.030 19.334 -5.219 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.901 20.571 -4.282 1.00 0.00 H new ATOM 693 N ALA A 47 3.743 21.862 -6.307 1.00 0.00 N ATOM 694 CA ALA A 47 5.055 22.441 -6.692 1.00 0.00 C ATOM 695 C ALA A 47 5.800 21.412 -7.533 1.00 0.00 C ATOM 696 O ALA A 47 6.203 21.710 -8.637 1.00 0.00 O ATOM 697 CB ALA A 47 5.883 22.763 -5.456 1.00 0.00 C ATOM 0 H ALA A 47 3.639 20.872 -6.531 1.00 0.00 H new ATOM 0 HA ALA A 47 4.894 23.362 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.841 23.186 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.348 23.483 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.054 21.850 -4.885 1.00 0.00 H new ATOM 703 N ALA A 48 5.934 20.250 -6.935 1.00 0.00 N ATOM 704 CA ALA A 48 6.623 19.037 -7.497 1.00 0.00 C ATOM 705 C ALA A 48 7.929 18.973 -6.715 1.00 0.00 C ATOM 706 O ALA A 48 8.396 17.913 -6.343 1.00 0.00 O ATOM 707 CB ALA A 48 6.956 19.159 -9.013 1.00 0.00 C ATOM 0 H ALA A 48 5.560 20.084 -6.001 1.00 0.00 H new ATOM 0 HA ALA A 48 5.984 18.158 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.452 18.249 -9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.035 19.302 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.615 20.012 -9.173 1.00 0.00 H new ATOM 713 N ASP A 49 8.471 20.143 -6.476 1.00 0.00 N ATOM 714 CA ASP A 49 9.748 20.241 -5.718 1.00 0.00 C ATOM 715 C ASP A 49 9.388 20.275 -4.212 1.00 0.00 C ATOM 716 O ASP A 49 10.256 20.266 -3.358 1.00 0.00 O ATOM 717 CB ASP A 49 10.493 21.537 -6.167 1.00 0.00 C ATOM 718 CG ASP A 49 10.209 22.742 -5.241 1.00 0.00 C ATOM 719 OD1 ASP A 49 9.049 23.097 -5.131 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.177 23.235 -4.689 1.00 0.00 O ATOM 0 H ASP A 49 8.079 21.035 -6.777 1.00 0.00 H new ATOM 0 HA ASP A 49 10.408 19.394 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.566 21.345 -6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.194 21.788 -7.185 1.00 0.00 H new ATOM 725 N ASP A 50 8.100 20.313 -3.955 1.00 0.00 N ATOM 726 CA ASP A 50 7.548 20.347 -2.564 1.00 0.00 C ATOM 727 C ASP A 50 6.806 19.018 -2.349 1.00 0.00 C ATOM 728 O ASP A 50 6.190 18.798 -1.323 1.00 0.00 O ATOM 729 CB ASP A 50 6.558 21.519 -2.418 1.00 0.00 C ATOM 730 CG ASP A 50 6.117 21.667 -0.950 1.00 0.00 C ATOM 731 OD1 ASP A 50 6.986 21.956 -0.141 1.00 0.00 O ATOM 732 OD2 ASP A 50 4.934 21.482 -0.715 1.00 0.00 O ATOM 0 H ASP A 50 7.384 20.322 -4.682 1.00 0.00 H new ATOM 0 HA ASP A 50 8.345 20.481 -1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.025 22.443 -2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.687 21.349 -3.051 1.00 0.00 H new ATOM 737 N LYS A 51 6.898 18.170 -3.346 1.00 0.00 N ATOM 738 CA LYS A 51 6.246 16.840 -3.297 1.00 0.00 C ATOM 739 C LYS A 51 7.361 15.927 -2.866 1.00 0.00 C ATOM 740 O LYS A 51 7.167 15.180 -1.938 1.00 0.00 O ATOM 741 CB LYS A 51 5.724 16.401 -4.694 1.00 0.00 C ATOM 742 CG LYS A 51 4.470 17.232 -5.007 1.00 0.00 C ATOM 743 CD LYS A 51 3.503 16.471 -5.940 1.00 0.00 C ATOM 744 CE LYS A 51 3.766 16.649 -7.433 1.00 0.00 C ATOM 745 NZ LYS A 51 3.590 18.076 -7.836 1.00 0.00 N ATOM 0 H LYS A 51 7.411 18.357 -4.207 1.00 0.00 H new ATOM 0 HA LYS A 51 5.380 16.832 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.488 16.560 -5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.488 15.337 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.958 17.483 -4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.763 18.172 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.555 15.409 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.485 16.796 -5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.778 16.322 -7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.085 16.018 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.084 18.246 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.577 18.281 -7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.986 18.696 -7.101 1.00 0.00 H new ATOM 759 N GLN A 52 8.476 16.013 -3.553 1.00 0.00 N ATOM 760 CA GLN A 52 9.680 15.178 -3.242 1.00 0.00 C ATOM 761 C GLN A 52 9.753 14.715 -1.760 1.00 0.00 C ATOM 762 O GLN A 52 9.866 13.533 -1.540 1.00 0.00 O ATOM 763 CB GLN A 52 10.950 16.007 -3.633 1.00 0.00 C ATOM 764 CG GLN A 52 12.033 15.081 -4.242 1.00 0.00 C ATOM 765 CD GLN A 52 11.580 14.483 -5.597 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.410 14.785 -6.097 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.303 13.726 -6.215 1.00 0.00 N flip ATOM 0 H GLN A 52 8.604 16.648 -4.341 1.00 0.00 H new ATOM 0 HA GLN A 52 9.617 14.257 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.680 16.782 -4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.348 16.512 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.956 15.644 -4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.256 14.274 -3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.219 13.478 -5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.993 13.339 -7.106 1.00 0.00 H new ATOM 776 N PRO A 53 9.683 15.604 -0.786 1.00 0.00 N ATOM 777 CA PRO A 53 9.548 15.230 0.659 1.00 0.00 C ATOM 778 C PRO A 53 8.500 14.138 0.965 1.00 0.00 C ATOM 779 O PRO A 53 8.818 13.081 1.475 1.00 0.00 O ATOM 780 CB PRO A 53 9.241 16.568 1.362 1.00 0.00 C ATOM 781 CG PRO A 53 8.740 17.473 0.205 1.00 0.00 C ATOM 782 CD PRO A 53 9.694 17.090 -0.928 1.00 0.00 C ATOM 0 HA PRO A 53 10.461 14.755 1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.484 16.450 2.137 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.127 16.983 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.700 17.271 -0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.807 18.532 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.335 17.418 -1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.689 17.514 -0.796 1.00 0.00 H new ATOM 790 N TYR A 54 7.271 14.438 0.628 1.00 0.00 N ATOM 791 CA TYR A 54 6.132 13.489 0.861 1.00 0.00 C ATOM 792 C TYR A 54 6.350 12.248 -0.002 1.00 0.00 C ATOM 793 O TYR A 54 6.243 11.121 0.436 1.00 0.00 O ATOM 794 CB TYR A 54 4.832 14.161 0.456 1.00 0.00 C ATOM 795 CG TYR A 54 4.384 15.298 1.392 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.273 15.113 2.757 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.067 16.533 0.864 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.853 16.142 3.572 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.647 17.563 1.677 1.00 0.00 C ATOM 800 CZ TYR A 54 3.536 17.377 3.040 1.00 0.00 C ATOM 801 OH TYR A 54 3.112 18.409 3.853 1.00 0.00 O ATOM 0 H TYR A 54 7.001 15.319 0.192 1.00 0.00 H new ATOM 0 HA TYR A 54 6.083 13.209 1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.942 14.560 -0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.045 13.408 0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.517 14.154 3.189 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.149 16.694 -0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.771 15.981 4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.403 18.522 1.245 1.00 0.00 H new ATOM 0 HH TYR A 54 2.586 18.045 4.595 1.00 0.00 H new ATOM 811 N GLU A 55 6.642 12.519 -1.242 1.00 0.00 N ATOM 812 CA GLU A 55 6.896 11.440 -2.234 1.00 0.00 C ATOM 813 C GLU A 55 7.879 10.398 -1.682 1.00 0.00 C ATOM 814 O GLU A 55 7.589 9.221 -1.688 1.00 0.00 O ATOM 815 CB GLU A 55 7.424 12.129 -3.509 1.00 0.00 C ATOM 816 CG GLU A 55 6.590 11.681 -4.713 1.00 0.00 C ATOM 817 CD GLU A 55 7.092 12.391 -5.987 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.221 12.118 -6.363 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.316 13.172 -6.515 1.00 0.00 O ATOM 0 H GLU A 55 6.717 13.464 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 55 5.984 10.886 -2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.371 13.212 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.473 11.876 -3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.662 10.600 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.538 11.914 -4.546 1.00 0.00 H new ATOM 826 N LYS A 56 9.017 10.861 -1.230 1.00 0.00 N ATOM 827 CA LYS A 56 10.077 9.980 -0.655 1.00 0.00 C ATOM 828 C LYS A 56 9.464 8.953 0.324 1.00 0.00 C ATOM 829 O LYS A 56 9.869 7.807 0.348 1.00 0.00 O ATOM 830 CB LYS A 56 11.109 10.881 0.061 1.00 0.00 C ATOM 831 CG LYS A 56 12.401 10.083 0.333 1.00 0.00 C ATOM 832 CD LYS A 56 13.471 11.029 0.920 1.00 0.00 C ATOM 833 CE LYS A 56 14.806 10.277 1.067 1.00 0.00 C ATOM 834 NZ LYS A 56 15.308 9.857 -0.274 1.00 0.00 N ATOM 0 H LYS A 56 9.262 11.851 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 56 10.566 9.414 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.332 11.753 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.694 11.250 0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.199 9.268 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.765 9.632 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.600 11.895 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.145 11.404 1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.541 10.917 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.672 9.403 1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.329 9.665 -0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.810 8.996 -0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.136 10.617 -0.963 1.00 0.00 H new ATOM 848 N LYS A 57 8.493 9.400 1.090 1.00 0.00 N ATOM 849 CA LYS A 57 7.824 8.488 2.080 1.00 0.00 C ATOM 850 C LYS A 57 7.119 7.406 1.276 1.00 0.00 C ATOM 851 O LYS A 57 7.404 6.234 1.425 1.00 0.00 O ATOM 852 CB LYS A 57 6.785 9.278 2.931 1.00 0.00 C ATOM 853 CG LYS A 57 7.411 9.882 4.201 1.00 0.00 C ATOM 854 CD LYS A 57 7.522 8.774 5.272 1.00 0.00 C ATOM 855 CE LYS A 57 8.011 9.377 6.598 1.00 0.00 C ATOM 856 NZ LYS A 57 7.952 8.343 7.669 1.00 0.00 N ATOM 0 H LYS A 57 8.135 10.355 1.073 1.00 0.00 H new ATOM 0 HA LYS A 57 8.556 8.058 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.354 10.076 2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.968 8.614 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.396 10.293 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.798 10.705 4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.553 8.296 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.213 8.000 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.032 9.743 6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.393 10.233 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.283 8.753 8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.972 8.014 7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.560 7.540 7.410 1.00 0.00 H new ATOM 870 N ALA A 58 6.209 7.841 0.439 1.00 0.00 N ATOM 871 CA ALA A 58 5.442 6.882 -0.419 1.00 0.00 C ATOM 872 C ALA A 58 6.384 5.835 -1.017 1.00 0.00 C ATOM 873 O ALA A 58 6.161 4.652 -0.885 1.00 0.00 O ATOM 874 CB ALA A 58 4.751 7.633 -1.552 1.00 0.00 C ATOM 0 H ALA A 58 5.963 8.823 0.312 1.00 0.00 H new ATOM 0 HA ALA A 58 4.696 6.386 0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.196 6.928 -2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.064 8.369 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.499 8.140 -2.162 1.00 0.00 H new ATOM 880 N ALA A 59 7.413 6.332 -1.658 1.00 0.00 N ATOM 881 CA ALA A 59 8.446 5.465 -2.305 1.00 0.00 C ATOM 882 C ALA A 59 8.894 4.387 -1.308 1.00 0.00 C ATOM 883 O ALA A 59 8.714 3.216 -1.563 1.00 0.00 O ATOM 884 CB ALA A 59 9.641 6.343 -2.730 1.00 0.00 C ATOM 0 H ALA A 59 7.584 7.332 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 59 8.034 4.976 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.400 5.720 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.302 7.101 -3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.066 6.829 -1.852 1.00 0.00 H new ATOM 890 N LYS A 60 9.466 4.814 -0.205 1.00 0.00 N ATOM 891 CA LYS A 60 9.955 3.894 0.870 1.00 0.00 C ATOM 892 C LYS A 60 8.952 2.755 1.134 1.00 0.00 C ATOM 893 O LYS A 60 9.326 1.602 1.211 1.00 0.00 O ATOM 894 CB LYS A 60 10.182 4.735 2.147 1.00 0.00 C ATOM 895 CG LYS A 60 11.089 3.967 3.129 1.00 0.00 C ATOM 896 CD LYS A 60 11.306 4.837 4.390 1.00 0.00 C ATOM 897 CE LYS A 60 12.449 4.249 5.232 1.00 0.00 C ATOM 898 NZ LYS A 60 13.722 4.332 4.458 1.00 0.00 N ATOM 0 H LYS A 60 9.618 5.802 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 60 10.887 3.424 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.639 5.690 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.226 4.958 2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.631 3.016 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.045 3.738 2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.543 5.861 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.390 4.876 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.544 4.796 6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.232 3.212 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.527 4.366 5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.811 3.497 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.717 5.192 3.873 1.00 0.00 H new ATOM 912 N LEU A 61 7.698 3.108 1.268 1.00 0.00 N ATOM 913 CA LEU A 61 6.642 2.069 1.526 1.00 0.00 C ATOM 914 C LEU A 61 6.475 1.176 0.290 1.00 0.00 C ATOM 915 O LEU A 61 6.571 -0.028 0.396 1.00 0.00 O ATOM 916 CB LEU A 61 5.330 2.786 1.861 1.00 0.00 C ATOM 917 CG LEU A 61 5.609 3.844 2.960 1.00 0.00 C ATOM 918 CD1 LEU A 61 4.313 4.576 3.285 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.240 3.199 4.224 1.00 0.00 C ATOM 0 H LEU A 61 7.356 4.067 1.211 1.00 0.00 H new ATOM 0 HA LEU A 61 6.932 1.433 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.923 3.265 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.585 2.069 2.207 1.00 0.00 H new ATOM 0 HG LEU A 61 6.338 4.564 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.500 5.322 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.939 5.069 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.572 3.862 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.422 3.969 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.558 2.452 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.183 2.722 3.957 1.00 0.00 H new ATOM 931 N LYS A 62 6.216 1.778 -0.843 1.00 0.00 N ATOM 932 CA LYS A 62 6.040 1.022 -2.134 1.00 0.00 C ATOM 933 C LYS A 62 7.147 -0.065 -2.188 1.00 0.00 C ATOM 934 O LYS A 62 6.915 -1.238 -2.402 1.00 0.00 O ATOM 935 CB LYS A 62 6.189 2.025 -3.304 1.00 0.00 C ATOM 936 CG LYS A 62 5.553 1.476 -4.598 1.00 0.00 C ATOM 937 CD LYS A 62 4.005 1.515 -4.468 1.00 0.00 C ATOM 938 CE LYS A 62 3.347 1.081 -5.790 1.00 0.00 C ATOM 939 NZ LYS A 62 3.730 2.008 -6.895 1.00 0.00 N ATOM 0 H LYS A 62 6.115 2.789 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 62 5.061 0.547 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.717 2.971 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.245 2.233 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.872 2.070 -5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.889 0.454 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.684 0.856 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.680 2.522 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.652 0.065 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.263 1.069 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.063 1.899 -7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.702 2.989 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.692 1.782 -7.220 1.00 0.00 H new