USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=16 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 Set 1.1: A 44 ASN : amide:sc= -3.23! K(o=-4.8!,f=-6) USER MOD Set 1.2: A 45 ASN : amide:sc= -1.54 X(o=-4.8,f=-4.8) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -70:sc= -0.628 USER MOD Single : A 17 SER OG : rot 84:sc= 0.451 USER MOD Single : A 19 TYR OH : rot -37:sc= 1.85 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc=-0.00175 X(o=-0.0018,f=-0.0018) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -0.0265 (180deg=-0.364) USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00442) USER MOD Single : A 42 MET CE :methyl 151:sc= -0.548 (180deg=-2.15!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -131:sc= -0.811 (180deg=-3.32!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.355 F(o=-3.7!,f=-0.35) USER MOD Single : A 54 TYR OH : rot -90:sc= 0.189 USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= -0.0601 (180deg=-0.455) USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.0213 (180deg=-0.32) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.11) USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= -0.0124 (180deg=-0.518) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 1.112 0.323 -0.089 1.00 0.00 N ATOM 86 CA PRO A 8 1.035 1.516 0.805 1.00 0.00 C ATOM 87 C PRO A 8 0.360 2.728 0.115 1.00 0.00 C ATOM 88 O PRO A 8 -0.088 2.601 -1.008 1.00 0.00 O ATOM 89 CB PRO A 8 2.501 1.750 1.186 1.00 0.00 C ATOM 90 CG PRO A 8 3.236 1.365 -0.114 1.00 0.00 C ATOM 91 CD PRO A 8 2.515 0.081 -0.548 1.00 0.00 C ATOM 0 HA PRO A 8 0.404 1.366 1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.689 2.786 1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.808 1.129 2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.158 2.147 -0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.299 1.193 0.058 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.568 -0.069 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.947 -0.804 -0.081 1.00 0.00 H new ATOM 99 N PRO A 9 0.294 3.853 0.806 1.00 0.00 N ATOM 100 CA PRO A 9 0.036 5.214 0.239 1.00 0.00 C ATOM 101 C PRO A 9 0.473 5.545 -1.210 1.00 0.00 C ATOM 102 O PRO A 9 0.971 4.712 -1.942 1.00 0.00 O ATOM 103 CB PRO A 9 0.677 6.164 1.297 1.00 0.00 C ATOM 104 CG PRO A 9 1.363 5.218 2.323 1.00 0.00 C ATOM 105 CD PRO A 9 0.485 3.974 2.277 1.00 0.00 C ATOM 0 HA PRO A 9 -1.038 5.321 0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.400 6.838 0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.078 6.787 1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.393 4.996 2.043 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.391 5.656 3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.975 3.101 2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.456 4.107 2.811 1.00 0.00 H new ATOM 113 N SER A 10 0.264 6.792 -1.566 1.00 0.00 N ATOM 114 CA SER A 10 0.616 7.296 -2.933 1.00 0.00 C ATOM 115 C SER A 10 1.778 8.306 -2.938 1.00 0.00 C ATOM 116 O SER A 10 2.739 8.135 -3.661 1.00 0.00 O ATOM 117 CB SER A 10 -0.641 7.955 -3.536 1.00 0.00 C ATOM 118 OG SER A 10 -1.610 6.917 -3.546 1.00 0.00 O ATOM 0 H SER A 10 -0.145 7.496 -0.952 1.00 0.00 H new ATOM 0 HA SER A 10 0.953 6.444 -3.523 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.972 8.803 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.450 8.331 -4.541 1.00 0.00 H new ATOM 0 HG SER A 10 -2.450 7.258 -3.918 1.00 0.00 H new ATOM 124 N ALA A 11 1.619 9.312 -2.113 1.00 0.00 N ATOM 125 CA ALA A 11 2.573 10.459 -1.903 1.00 0.00 C ATOM 126 C ALA A 11 1.598 11.563 -1.474 1.00 0.00 C ATOM 127 O ALA A 11 1.774 12.290 -0.514 1.00 0.00 O ATOM 128 CB ALA A 11 3.242 10.889 -3.200 1.00 0.00 C ATOM 0 H ALA A 11 0.790 9.390 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 11 3.380 10.224 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.921 11.718 -3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.803 10.052 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.482 11.206 -3.914 1.00 0.00 H new ATOM 134 N PHE A 12 0.566 11.606 -2.275 1.00 0.00 N ATOM 135 CA PHE A 12 -0.573 12.535 -2.149 1.00 0.00 C ATOM 136 C PHE A 12 -1.150 12.212 -0.788 1.00 0.00 C ATOM 137 O PHE A 12 -1.422 13.088 -0.007 1.00 0.00 O ATOM 138 CB PHE A 12 -1.501 12.195 -3.350 1.00 0.00 C ATOM 139 CG PHE A 12 -3.015 12.483 -3.246 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.635 13.183 -2.229 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.805 11.970 -4.262 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.998 13.355 -2.233 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.173 12.148 -4.261 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.774 12.842 -3.240 1.00 0.00 C ATOM 0 H PHE A 12 0.473 10.977 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.366 13.604 -2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.124 12.737 -4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.384 11.132 -3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.044 13.598 -1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.342 11.421 -5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.466 13.904 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.771 11.742 -5.063 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.845 12.982 -3.230 1.00 0.00 H new ATOM 154 N PHE A 13 -1.302 10.940 -0.540 1.00 0.00 N ATOM 155 CA PHE A 13 -1.869 10.481 0.761 1.00 0.00 C ATOM 156 C PHE A 13 -1.329 11.274 1.971 1.00 0.00 C ATOM 157 O PHE A 13 -2.102 11.743 2.781 1.00 0.00 O ATOM 158 CB PHE A 13 -1.566 8.976 0.922 1.00 0.00 C ATOM 159 CG PHE A 13 -2.749 8.359 1.690 1.00 0.00 C ATOM 160 CD1 PHE A 13 -2.982 8.661 3.021 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.615 7.497 1.037 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.063 8.115 3.683 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.694 6.951 1.698 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.920 7.260 3.023 1.00 0.00 C ATOM 0 H PHE A 13 -1.056 10.192 -1.188 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.944 10.659 0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.448 8.500 -0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.633 8.826 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.313 9.328 3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.443 7.250 -0.000 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.238 8.358 4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.363 6.281 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.766 6.834 3.542 1.00 0.00 H new ATOM 174 N LEU A 14 -0.028 11.419 2.049 1.00 0.00 N ATOM 175 CA LEU A 14 0.595 12.163 3.188 1.00 0.00 C ATOM 176 C LEU A 14 0.019 13.588 3.285 1.00 0.00 C ATOM 177 O LEU A 14 -0.589 13.973 4.267 1.00 0.00 O ATOM 178 CB LEU A 14 2.151 12.257 2.996 1.00 0.00 C ATOM 179 CG LEU A 14 2.969 10.901 2.886 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.527 9.797 3.865 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.065 10.327 1.461 1.00 0.00 C ATOM 0 H LEU A 14 0.634 11.050 1.366 1.00 0.00 H new ATOM 0 HA LEU A 14 0.371 11.618 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.342 12.837 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.557 12.826 3.832 1.00 0.00 H new ATOM 0 HG LEU A 14 3.968 11.219 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.143 8.910 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.644 10.151 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.481 9.548 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.640 9.401 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.063 10.124 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.559 11.049 0.811 1.00 0.00 H new ATOM 193 N PHE A 15 0.234 14.327 2.230 1.00 0.00 N ATOM 194 CA PHE A 15 -0.256 15.735 2.162 1.00 0.00 C ATOM 195 C PHE A 15 -1.786 15.777 2.447 1.00 0.00 C ATOM 196 O PHE A 15 -2.256 16.560 3.251 1.00 0.00 O ATOM 197 CB PHE A 15 0.230 16.235 0.744 1.00 0.00 C ATOM 198 CG PHE A 15 -0.778 16.935 -0.171 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.668 16.177 -0.901 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.787 18.316 -0.311 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.543 16.772 -1.756 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.675 18.909 -1.179 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.553 18.134 -1.904 1.00 0.00 C ATOM 0 H PHE A 15 0.736 14.010 1.400 1.00 0.00 H new ATOM 0 HA PHE A 15 0.137 16.414 2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.064 16.919 0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.623 15.372 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.671 15.102 -0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.099 18.923 0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.235 16.166 -2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.683 19.983 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.248 18.599 -2.588 1.00 0.00 H new ATOM 213 N CYS A 16 -2.524 14.925 1.786 1.00 0.00 N ATOM 214 CA CYS A 16 -4.008 14.834 1.961 1.00 0.00 C ATOM 215 C CYS A 16 -4.374 14.812 3.432 1.00 0.00 C ATOM 216 O CYS A 16 -5.100 15.667 3.900 1.00 0.00 O ATOM 217 CB CYS A 16 -4.530 13.549 1.303 1.00 0.00 C ATOM 218 SG CYS A 16 -5.885 12.660 2.117 1.00 0.00 S ATOM 0 H CYS A 16 -2.147 14.264 1.107 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.461 15.707 1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.855 13.800 0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.691 12.860 1.205 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.449 12.116 3.214 1.00 0.00 H new ATOM 223 N SER A 17 -3.841 13.824 4.102 1.00 0.00 N ATOM 224 CA SER A 17 -4.102 13.660 5.551 1.00 0.00 C ATOM 225 C SER A 17 -3.987 14.975 6.307 1.00 0.00 C ATOM 226 O SER A 17 -4.918 15.422 6.948 1.00 0.00 O ATOM 227 CB SER A 17 -3.109 12.665 6.140 1.00 0.00 C ATOM 228 OG SER A 17 -3.386 11.445 5.465 1.00 0.00 O ATOM 0 H SER A 17 -3.228 13.117 3.695 1.00 0.00 H new ATOM 0 HA SER A 17 -5.124 13.295 5.658 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.080 12.986 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.242 12.562 7.217 1.00 0.00 H new ATOM 0 HG SER A 17 -2.914 11.432 4.606 1.00 0.00 H new ATOM 234 N GLU A 18 -2.813 15.530 6.162 1.00 0.00 N ATOM 235 CA GLU A 18 -2.445 16.816 6.802 1.00 0.00 C ATOM 236 C GLU A 18 -3.586 17.839 6.814 1.00 0.00 C ATOM 237 O GLU A 18 -3.820 18.450 7.838 1.00 0.00 O ATOM 238 CB GLU A 18 -1.216 17.338 6.053 1.00 0.00 C ATOM 239 CG GLU A 18 -0.637 18.571 6.765 1.00 0.00 C ATOM 240 CD GLU A 18 0.750 18.887 6.169 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.798 19.153 4.979 1.00 0.00 O ATOM 242 OE2 GLU A 18 1.692 18.839 6.944 1.00 0.00 O ATOM 0 H GLU A 18 -2.066 15.121 5.600 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.225 16.653 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.459 16.556 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.489 17.596 5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.303 19.425 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.553 18.383 7.835 1.00 0.00 H new ATOM 249 N TYR A 19 -4.258 17.999 5.694 1.00 0.00 N ATOM 250 CA TYR A 19 -5.380 18.995 5.672 1.00 0.00 C ATOM 251 C TYR A 19 -6.665 18.464 5.024 1.00 0.00 C ATOM 252 O TYR A 19 -7.368 19.197 4.353 1.00 0.00 O ATOM 253 CB TYR A 19 -4.867 20.256 4.931 1.00 0.00 C ATOM 254 CG TYR A 19 -4.785 20.054 3.412 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.927 19.142 2.843 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.596 20.811 2.599 1.00 0.00 C ATOM 257 CE1 TYR A 19 -3.885 18.989 1.469 1.00 0.00 C ATOM 258 CE2 TYR A 19 -5.558 20.667 1.231 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.702 19.755 0.654 1.00 0.00 C ATOM 260 OH TYR A 19 -4.674 19.617 -0.718 1.00 0.00 O ATOM 0 H TYR A 19 -4.086 17.500 4.821 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.660 19.223 6.700 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.529 21.095 5.147 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.881 20.521 5.312 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.284 18.543 3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.272 21.528 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.211 18.268 1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.201 21.271 0.608 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.754 19.452 -1.011 1.00 0.00 H new ATOM 270 N ARG A 20 -6.961 17.211 5.246 1.00 0.00 N ATOM 271 CA ARG A 20 -8.200 16.643 4.638 1.00 0.00 C ATOM 272 C ARG A 20 -9.396 17.174 5.457 1.00 0.00 C ATOM 273 O ARG A 20 -10.238 17.830 4.878 1.00 0.00 O ATOM 274 CB ARG A 20 -8.133 15.090 4.681 1.00 0.00 C ATOM 275 CG ARG A 20 -9.376 14.475 3.992 1.00 0.00 C ATOM 276 CD ARG A 20 -9.423 12.971 4.327 1.00 0.00 C ATOM 277 NE ARG A 20 -10.633 12.382 3.682 1.00 0.00 N ATOM 278 CZ ARG A 20 -10.521 11.328 2.918 1.00 0.00 C ATOM 279 NH1 ARG A 20 -10.273 11.485 1.647 1.00 0.00 N ATOM 280 NH2 ARG A 20 -10.658 10.151 3.462 1.00 0.00 N ATOM 0 H ARG A 20 -6.410 16.566 5.812 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.306 16.939 3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.226 14.745 4.184 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.078 14.751 5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.284 14.969 4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.323 14.622 2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.522 12.474 3.968 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.459 12.824 5.406 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.549 12.803 3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.169 12.423 1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.183 10.670 1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.848 10.070 4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.575 9.311 2.889 1.00 0.00 H new ATOM 294 N PRO A 21 -9.477 16.927 6.753 1.00 0.00 N ATOM 295 CA PRO A 21 -10.629 17.398 7.573 1.00 0.00 C ATOM 296 C PRO A 21 -10.885 18.908 7.432 1.00 0.00 C ATOM 297 O PRO A 21 -12.004 19.365 7.564 1.00 0.00 O ATOM 298 CB PRO A 21 -10.274 16.971 9.010 1.00 0.00 C ATOM 299 CG PRO A 21 -8.732 16.899 8.967 1.00 0.00 C ATOM 300 CD PRO A 21 -8.492 16.210 7.616 1.00 0.00 C ATOM 0 HA PRO A 21 -11.572 16.960 7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.626 17.693 9.746 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.718 16.010 9.269 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.274 17.887 9.010 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.325 16.323 9.798 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.468 16.336 7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.685 15.138 7.659 1.00 0.00 H new ATOM 308 N LYS A 22 -9.821 19.621 7.161 1.00 0.00 N ATOM 309 CA LYS A 22 -9.905 21.100 7.001 1.00 0.00 C ATOM 310 C LYS A 22 -10.628 21.543 5.719 1.00 0.00 C ATOM 311 O LYS A 22 -11.298 22.557 5.748 1.00 0.00 O ATOM 312 CB LYS A 22 -8.474 21.678 7.026 1.00 0.00 C ATOM 313 CG LYS A 22 -8.568 23.215 7.153 1.00 0.00 C ATOM 314 CD LYS A 22 -7.177 23.828 7.381 1.00 0.00 C ATOM 315 CE LYS A 22 -7.351 25.331 7.650 1.00 0.00 C ATOM 316 NZ LYS A 22 -6.030 25.954 7.945 1.00 0.00 N ATOM 0 H LYS A 22 -8.885 19.233 7.043 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.502 21.484 7.828 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.912 21.262 7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.939 21.405 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.011 23.633 6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.226 23.477 7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.683 23.346 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.544 23.669 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.804 25.813 6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.029 25.482 8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.158 26.970 8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.613 25.503 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.395 25.824 7.131 1.00 0.00 H new ATOM 330 N ILE A 23 -10.515 20.814 4.633 1.00 0.00 N ATOM 331 CA ILE A 23 -11.218 21.259 3.387 1.00 0.00 C ATOM 332 C ILE A 23 -12.610 20.651 3.417 1.00 0.00 C ATOM 333 O ILE A 23 -13.581 21.234 2.980 1.00 0.00 O ATOM 334 CB ILE A 23 -10.420 20.784 2.120 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.973 19.293 2.216 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.189 21.707 1.973 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.491 18.795 0.837 1.00 0.00 C ATOM 0 H ILE A 23 -9.979 19.950 4.555 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.284 22.346 3.338 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.070 20.848 1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.172 19.192 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.803 18.678 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.610 21.405 1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.520 22.738 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.568 21.630 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.181 17.753 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.304 18.879 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.648 19.401 0.506 1.00 0.00 H new ATOM 349 N LYS A 24 -12.633 19.471 3.961 1.00 0.00 N ATOM 350 CA LYS A 24 -13.863 18.662 4.118 1.00 0.00 C ATOM 351 C LYS A 24 -14.819 19.379 5.084 1.00 0.00 C ATOM 352 O LYS A 24 -16.017 19.168 5.060 1.00 0.00 O ATOM 353 CB LYS A 24 -13.359 17.319 4.624 1.00 0.00 C ATOM 354 CG LYS A 24 -14.488 16.253 4.694 1.00 0.00 C ATOM 355 CD LYS A 24 -15.185 16.212 6.083 1.00 0.00 C ATOM 356 CE LYS A 24 -14.239 15.605 7.134 1.00 0.00 C ATOM 357 NZ LYS A 24 -14.956 15.425 8.428 1.00 0.00 N ATOM 0 H LYS A 24 -11.797 19.012 4.323 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.440 18.523 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.565 16.961 3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.922 17.447 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.231 16.465 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.070 15.271 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.475 17.219 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.099 15.622 6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.861 14.645 6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.376 16.255 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.308 15.015 9.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.296 16.347 8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.766 14.787 8.290 1.00 0.00 H new ATOM 371 N GLY A 25 -14.228 20.216 5.898 1.00 0.00 N ATOM 372 CA GLY A 25 -14.993 20.999 6.909 1.00 0.00 C ATOM 373 C GLY A 25 -15.531 22.285 6.280 1.00 0.00 C ATOM 374 O GLY A 25 -16.667 22.654 6.504 1.00 0.00 O ATOM 0 H GLY A 25 -13.223 20.392 5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.818 20.401 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.351 21.240 7.756 1.00 0.00 H new ATOM 378 N GLU A 26 -14.686 22.925 5.513 1.00 0.00 N ATOM 379 CA GLU A 26 -15.062 24.194 4.823 1.00 0.00 C ATOM 380 C GLU A 26 -16.124 23.967 3.747 1.00 0.00 C ATOM 381 O GLU A 26 -17.026 24.764 3.590 1.00 0.00 O ATOM 382 CB GLU A 26 -13.812 24.789 4.175 1.00 0.00 C ATOM 383 CG GLU A 26 -12.815 25.199 5.266 1.00 0.00 C ATOM 384 CD GLU A 26 -13.358 26.400 6.073 1.00 0.00 C ATOM 385 OE1 GLU A 26 -13.540 27.440 5.456 1.00 0.00 O ATOM 386 OE2 GLU A 26 -13.565 26.203 7.259 1.00 0.00 O ATOM 0 H GLU A 26 -13.731 22.614 5.333 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.480 24.874 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.355 24.061 3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.081 25.654 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.632 24.358 5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.859 25.460 4.813 1.00 0.00 H new ATOM 393 N HIS A 27 -15.965 22.878 3.040 1.00 0.00 N ATOM 394 CA HIS A 27 -16.896 22.493 1.946 1.00 0.00 C ATOM 395 C HIS A 27 -17.572 21.151 2.255 1.00 0.00 C ATOM 396 O HIS A 27 -17.181 20.122 1.737 1.00 0.00 O ATOM 397 CB HIS A 27 -16.069 22.430 0.647 1.00 0.00 C ATOM 398 CG HIS A 27 -15.351 23.777 0.500 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.933 24.907 0.272 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.004 24.093 0.580 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.047 25.850 0.212 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.834 25.390 0.400 1.00 0.00 N ATOM 0 H HIS A 27 -15.200 22.219 3.185 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.699 23.223 1.841 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.349 21.613 0.689 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.714 22.243 -0.211 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.211 23.383 0.763 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.279 26.889 0.029 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.959 25.914 0.406 1.00 0.00 H new ATOM 410 N PRO A 28 -18.581 21.197 3.098 1.00 0.00 N ATOM 411 CA PRO A 28 -19.504 20.049 3.342 1.00 0.00 C ATOM 412 C PRO A 28 -20.495 19.903 2.163 1.00 0.00 C ATOM 413 O PRO A 28 -21.687 19.728 2.340 1.00 0.00 O ATOM 414 CB PRO A 28 -20.153 20.413 4.676 1.00 0.00 C ATOM 415 CG PRO A 28 -20.296 21.955 4.548 1.00 0.00 C ATOM 416 CD PRO A 28 -18.944 22.377 3.929 1.00 0.00 C ATOM 0 HA PRO A 28 -19.025 19.071 3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.117 19.922 4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -19.531 20.129 5.525 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -21.136 22.231 3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -20.462 22.427 5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.039 23.281 3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -18.194 22.579 4.694 1.00 0.00 H new ATOM 424 N GLY A 29 -19.919 19.984 0.992 1.00 0.00 N ATOM 425 CA GLY A 29 -20.628 19.875 -0.304 1.00 0.00 C ATOM 426 C GLY A 29 -19.922 18.789 -1.127 1.00 0.00 C ATOM 427 O GLY A 29 -20.502 18.224 -2.033 1.00 0.00 O ATOM 0 H GLY A 29 -18.915 20.132 0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.675 19.617 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.610 20.828 -0.832 1.00 0.00 H new ATOM 431 N LEU A 30 -18.682 18.535 -0.777 1.00 0.00 N ATOM 432 CA LEU A 30 -17.867 17.510 -1.480 1.00 0.00 C ATOM 433 C LEU A 30 -18.178 16.128 -0.891 1.00 0.00 C ATOM 434 O LEU A 30 -18.677 16.003 0.212 1.00 0.00 O ATOM 435 CB LEU A 30 -16.362 17.799 -1.273 1.00 0.00 C ATOM 436 CG LEU A 30 -15.966 19.257 -1.582 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.434 19.407 -1.432 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.384 19.708 -2.993 1.00 0.00 C ATOM 0 H LEU A 30 -18.197 19.010 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.105 17.536 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.095 17.569 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.781 17.131 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.495 19.893 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.146 20.436 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.142 19.156 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.933 18.735 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.078 20.742 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.904 19.071 -3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.467 19.631 -3.094 1.00 0.00 H new ATOM 450 N SER A 31 -17.856 15.141 -1.679 1.00 0.00 N ATOM 451 CA SER A 31 -18.059 13.715 -1.309 1.00 0.00 C ATOM 452 C SER A 31 -16.659 13.121 -1.243 1.00 0.00 C ATOM 453 O SER A 31 -15.696 13.796 -1.536 1.00 0.00 O ATOM 454 CB SER A 31 -18.871 13.000 -2.393 1.00 0.00 C ATOM 455 OG SER A 31 -20.033 13.804 -2.555 1.00 0.00 O ATOM 0 H SER A 31 -17.443 15.273 -2.602 1.00 0.00 H new ATOM 0 HA SER A 31 -18.601 13.610 -0.369 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.309 12.922 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 31 -19.129 11.985 -2.091 1.00 0.00 H new ATOM 0 HG SER A 31 -20.611 13.410 -3.242 1.00 0.00 H new ATOM 461 N ILE A 32 -16.560 11.879 -0.866 1.00 0.00 N ATOM 462 CA ILE A 32 -15.222 11.209 -0.780 1.00 0.00 C ATOM 463 C ILE A 32 -14.538 11.130 -2.157 1.00 0.00 C ATOM 464 O ILE A 32 -13.391 10.748 -2.269 1.00 0.00 O ATOM 465 CB ILE A 32 -15.465 9.807 -0.185 1.00 0.00 C ATOM 466 CG1 ILE A 32 -14.148 9.009 0.033 1.00 0.00 C ATOM 467 CG2 ILE A 32 -16.404 8.976 -1.111 1.00 0.00 C ATOM 468 CD1 ILE A 32 -13.158 9.768 0.948 1.00 0.00 C ATOM 0 H ILE A 32 -17.352 11.289 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.545 11.783 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.931 9.966 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.380 8.040 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.677 8.816 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.564 7.990 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.361 9.488 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.944 8.868 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.252 9.176 1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.905 10.726 0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.619 9.938 1.921 1.00 0.00 H new ATOM 480 N GLY A 33 -15.289 11.504 -3.153 1.00 0.00 N ATOM 481 CA GLY A 33 -14.779 11.488 -4.561 1.00 0.00 C ATOM 482 C GLY A 33 -14.516 12.900 -5.095 1.00 0.00 C ATOM 483 O GLY A 33 -14.054 13.051 -6.207 1.00 0.00 O ATOM 0 H GLY A 33 -16.252 11.826 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.858 10.907 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.504 10.987 -5.203 1.00 0.00 H new ATOM 487 N ASP A 34 -14.802 13.882 -4.280 1.00 0.00 N ATOM 488 CA ASP A 34 -14.611 15.322 -4.641 1.00 0.00 C ATOM 489 C ASP A 34 -13.464 15.804 -3.774 1.00 0.00 C ATOM 490 O ASP A 34 -12.546 16.440 -4.239 1.00 0.00 O ATOM 491 CB ASP A 34 -15.886 16.102 -4.318 1.00 0.00 C ATOM 492 CG ASP A 34 -17.073 15.623 -5.166 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.453 14.480 -4.979 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.535 16.429 -5.959 1.00 0.00 O ATOM 0 H ASP A 34 -15.175 13.739 -3.341 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.399 15.461 -5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.124 15.988 -3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.718 17.164 -4.494 1.00 0.00 H new ATOM 499 N VAL A 35 -13.563 15.475 -2.515 1.00 0.00 N ATOM 500 CA VAL A 35 -12.516 15.855 -1.523 1.00 0.00 C ATOM 501 C VAL A 35 -11.228 15.187 -2.013 1.00 0.00 C ATOM 502 O VAL A 35 -10.139 15.670 -1.787 1.00 0.00 O ATOM 503 CB VAL A 35 -12.905 15.308 -0.126 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.786 15.593 0.907 1.00 0.00 C ATOM 505 CG2 VAL A 35 -14.191 15.979 0.386 1.00 0.00 C ATOM 0 H VAL A 35 -14.343 14.947 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.400 16.935 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.056 14.234 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.081 15.200 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.863 15.111 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.626 16.669 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.444 15.579 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.035 17.055 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.007 15.779 -0.308 1.00 0.00 H new ATOM 515 N ALA A 36 -11.428 14.083 -2.686 1.00 0.00 N ATOM 516 CA ALA A 36 -10.316 13.285 -3.239 1.00 0.00 C ATOM 517 C ALA A 36 -9.916 13.787 -4.622 1.00 0.00 C ATOM 518 O ALA A 36 -8.740 13.986 -4.852 1.00 0.00 O ATOM 519 CB ALA A 36 -10.788 11.851 -3.294 1.00 0.00 C ATOM 0 H ALA A 36 -12.353 13.697 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.429 13.373 -2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.995 11.222 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.043 11.513 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.668 11.782 -3.934 1.00 0.00 H new ATOM 525 N LYS A 37 -10.855 13.989 -5.515 1.00 0.00 N ATOM 526 CA LYS A 37 -10.453 14.488 -6.868 1.00 0.00 C ATOM 527 C LYS A 37 -9.985 15.934 -6.877 1.00 0.00 C ATOM 528 O LYS A 37 -9.312 16.353 -7.797 1.00 0.00 O ATOM 529 CB LYS A 37 -11.636 14.351 -7.845 1.00 0.00 C ATOM 530 CG LYS A 37 -11.458 13.033 -8.615 1.00 0.00 C ATOM 531 CD LYS A 37 -10.363 13.214 -9.701 1.00 0.00 C ATOM 532 CE LYS A 37 -10.964 13.827 -10.985 1.00 0.00 C ATOM 533 NZ LYS A 37 -11.835 12.823 -11.660 1.00 0.00 N ATOM 0 H LYS A 37 -11.853 13.836 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.607 13.873 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.582 14.352 -7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.663 15.195 -8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.177 12.234 -7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.400 12.739 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.570 13.858 -9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.908 12.250 -9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.542 14.717 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.166 14.141 -11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.935 13.070 -12.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.406 11.879 -11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.772 12.818 -11.210 1.00 0.00 H new ATOM 547 N LYS A 38 -10.338 16.667 -5.858 1.00 0.00 N ATOM 548 CA LYS A 38 -9.919 18.080 -5.815 1.00 0.00 C ATOM 549 C LYS A 38 -8.585 18.144 -5.097 1.00 0.00 C ATOM 550 O LYS A 38 -7.651 18.679 -5.656 1.00 0.00 O ATOM 551 CB LYS A 38 -10.991 18.889 -5.076 1.00 0.00 C ATOM 552 CG LYS A 38 -10.731 20.389 -5.335 1.00 0.00 C ATOM 553 CD LYS A 38 -11.834 21.266 -4.704 1.00 0.00 C ATOM 554 CE LYS A 38 -13.193 20.958 -5.373 1.00 0.00 C ATOM 555 NZ LYS A 38 -14.240 21.894 -4.881 1.00 0.00 N ATOM 0 H LYS A 38 -10.893 16.346 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.807 18.499 -6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.985 18.610 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.957 18.677 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.761 20.669 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.687 20.573 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.894 21.076 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.588 22.321 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.100 21.044 -6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.486 19.930 -5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.150 21.662 -5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.328 21.805 -3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.974 22.870 -5.123 1.00 0.00 H new ATOM 569 N LEU A 39 -8.480 17.603 -3.908 1.00 0.00 N ATOM 570 CA LEU A 39 -7.166 17.674 -3.213 1.00 0.00 C ATOM 571 C LEU A 39 -6.164 16.766 -3.977 1.00 0.00 C ATOM 572 O LEU A 39 -4.971 16.975 -3.908 1.00 0.00 O ATOM 573 CB LEU A 39 -7.481 17.273 -1.724 1.00 0.00 C ATOM 574 CG LEU A 39 -6.676 16.086 -1.240 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.319 16.601 -0.771 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.367 15.451 -0.013 1.00 0.00 C ATOM 0 H LEU A 39 -9.228 17.128 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.684 18.651 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.283 18.126 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.543 17.044 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.584 15.356 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.716 15.766 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.809 17.090 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.461 17.316 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.784 14.597 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.438 16.188 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.367 15.119 -0.290 1.00 0.00 H new ATOM 588 N GLY A 40 -6.674 15.794 -4.698 1.00 0.00 N ATOM 589 CA GLY A 40 -5.784 14.873 -5.469 1.00 0.00 C ATOM 590 C GLY A 40 -5.257 15.608 -6.685 1.00 0.00 C ATOM 591 O GLY A 40 -4.147 15.377 -7.120 1.00 0.00 O ATOM 0 H GLY A 40 -7.672 15.600 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.957 14.536 -4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.335 13.984 -5.775 1.00 0.00 H new ATOM 595 N GLU A 41 -6.071 16.481 -7.217 1.00 0.00 N ATOM 596 CA GLU A 41 -5.619 17.245 -8.402 1.00 0.00 C ATOM 597 C GLU A 41 -4.619 18.273 -7.883 1.00 0.00 C ATOM 598 O GLU A 41 -3.550 18.415 -8.443 1.00 0.00 O ATOM 599 CB GLU A 41 -6.822 17.912 -9.031 1.00 0.00 C ATOM 600 CG GLU A 41 -7.305 17.139 -10.293 1.00 0.00 C ATOM 601 CD GLU A 41 -7.548 15.608 -10.145 1.00 0.00 C ATOM 602 OE1 GLU A 41 -7.373 15.047 -9.075 1.00 0.00 O ATOM 603 OE2 GLU A 41 -7.915 15.062 -11.172 1.00 0.00 O ATOM 0 H GLU A 41 -7.012 16.692 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.153 16.617 -9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.632 17.966 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.570 18.937 -9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.234 17.596 -10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.568 17.289 -11.082 1.00 0.00 H new ATOM 610 N MET A 42 -4.986 18.957 -6.824 1.00 0.00 N ATOM 611 CA MET A 42 -4.074 19.987 -6.233 1.00 0.00 C ATOM 612 C MET A 42 -2.693 19.401 -6.007 1.00 0.00 C ATOM 613 O MET A 42 -1.696 20.059 -6.223 1.00 0.00 O ATOM 614 CB MET A 42 -4.595 20.459 -4.910 1.00 0.00 C ATOM 615 CG MET A 42 -5.829 21.341 -5.125 1.00 0.00 C ATOM 616 SD MET A 42 -6.276 22.446 -3.762 1.00 0.00 S ATOM 617 CE MET A 42 -7.889 21.747 -3.332 1.00 0.00 C ATOM 0 H MET A 42 -5.879 18.846 -6.344 1.00 0.00 H new ATOM 0 HA MET A 42 -4.023 20.821 -6.933 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.852 19.605 -4.284 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.823 21.020 -4.383 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.665 21.947 -6.016 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.680 20.693 -5.333 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.086 21.911 -2.272 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.665 22.232 -3.924 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.889 20.677 -3.540 1.00 0.00 H new ATOM 627 N TRP A 43 -2.707 18.177 -5.555 1.00 0.00 N ATOM 628 CA TRP A 43 -1.457 17.424 -5.286 1.00 0.00 C ATOM 629 C TRP A 43 -0.574 17.459 -6.518 1.00 0.00 C ATOM 630 O TRP A 43 0.598 17.764 -6.415 1.00 0.00 O ATOM 631 CB TRP A 43 -1.813 15.980 -4.937 1.00 0.00 C ATOM 632 CG TRP A 43 -0.578 15.102 -5.050 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.410 14.187 -6.029 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.498 15.105 -4.241 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.768 13.684 -5.751 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.407 14.162 -4.693 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.785 15.858 -3.110 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.601 13.967 -4.015 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.981 15.666 -2.427 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.891 14.719 -2.881 1.00 0.00 C ATOM 0 H TRP A 43 -3.561 17.656 -5.356 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.920 17.876 -4.452 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.215 15.930 -3.925 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.592 15.616 -5.607 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.079 13.933 -6.838 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.178 12.950 -6.329 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.077 16.595 -2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.307 13.230 -4.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.202 16.251 -1.546 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.822 14.567 -2.355 1.00 0.00 H new ATOM 651 N ASN A 44 -1.180 17.167 -7.645 1.00 0.00 N ATOM 652 CA ASN A 44 -0.360 17.168 -8.893 1.00 0.00 C ATOM 653 C ASN A 44 0.093 18.581 -9.314 1.00 0.00 C ATOM 654 O ASN A 44 0.757 18.754 -10.317 1.00 0.00 O ATOM 655 CB ASN A 44 -1.182 16.455 -10.040 1.00 0.00 C ATOM 656 CG ASN A 44 -2.160 17.325 -10.847 1.00 0.00 C ATOM 657 OD1 ASN A 44 -1.772 18.219 -11.572 1.00 0.00 O ATOM 658 ND2 ASN A 44 -3.437 17.085 -10.756 1.00 0.00 N ATOM 0 H ASN A 44 -2.168 16.937 -7.753 1.00 0.00 H new ATOM 0 HA ASN A 44 0.560 16.617 -8.700 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.473 16.009 -10.737 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.747 15.637 -9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.101 17.645 -11.291 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.773 16.337 -10.150 1.00 0.00 H new ATOM 665 N ASN A 45 -0.298 19.537 -8.509 1.00 0.00 N ATOM 666 CA ASN A 45 0.034 20.983 -8.717 1.00 0.00 C ATOM 667 C ASN A 45 0.415 21.590 -7.342 1.00 0.00 C ATOM 668 O ASN A 45 0.198 22.768 -7.130 1.00 0.00 O ATOM 669 CB ASN A 45 -1.191 21.737 -9.260 1.00 0.00 C ATOM 670 CG ASN A 45 -1.846 20.939 -10.374 1.00 0.00 C ATOM 671 OD1 ASN A 45 -1.346 20.835 -11.476 1.00 0.00 O ATOM 672 ND2 ASN A 45 -2.979 20.357 -10.088 1.00 0.00 N ATOM 0 H ASN A 45 -0.861 19.365 -7.676 1.00 0.00 H new ATOM 0 HA ASN A 45 0.853 21.071 -9.430 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.907 21.909 -8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.889 22.716 -9.633 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.461 19.803 -10.796 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.383 20.456 -9.157 1.00 0.00 H new ATOM 679 N THR A 46 0.975 20.809 -6.441 1.00 0.00 N ATOM 680 CA THR A 46 1.338 21.385 -5.103 1.00 0.00 C ATOM 681 C THR A 46 2.519 22.332 -5.307 1.00 0.00 C ATOM 682 O THR A 46 2.492 23.470 -4.886 1.00 0.00 O ATOM 683 CB THR A 46 1.672 20.192 -4.119 1.00 0.00 C ATOM 684 OG1 THR A 46 2.046 20.828 -2.904 1.00 0.00 O ATOM 685 CG2 THR A 46 2.909 19.334 -4.463 1.00 0.00 C ATOM 0 H THR A 46 1.192 19.821 -6.570 1.00 0.00 H new ATOM 0 HA THR A 46 0.521 21.955 -4.660 1.00 0.00 H new ATOM 0 HB THR A 46 0.803 19.534 -4.129 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.269 20.148 -2.234 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.029 18.552 -3.713 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.775 18.879 -5.444 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.798 19.965 -4.474 1.00 0.00 H new ATOM 693 N ALA A 47 3.516 21.802 -5.958 1.00 0.00 N ATOM 694 CA ALA A 47 4.761 22.551 -6.272 1.00 0.00 C ATOM 695 C ALA A 47 5.615 21.628 -7.127 1.00 0.00 C ATOM 696 O ALA A 47 6.081 22.002 -8.183 1.00 0.00 O ATOM 697 CB ALA A 47 5.529 22.895 -4.997 1.00 0.00 C ATOM 0 H ALA A 47 3.516 20.840 -6.298 1.00 0.00 H new ATOM 0 HA ALA A 47 4.522 23.484 -6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.435 23.443 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.904 23.511 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.796 21.977 -4.474 1.00 0.00 H new ATOM 703 N ALA A 48 5.754 20.448 -6.569 1.00 0.00 N ATOM 704 CA ALA A 48 6.535 19.287 -7.108 1.00 0.00 C ATOM 705 C ALA A 48 7.722 19.246 -6.141 1.00 0.00 C ATOM 706 O ALA A 48 8.188 18.203 -5.723 1.00 0.00 O ATOM 707 CB ALA A 48 7.062 19.516 -8.542 1.00 0.00 C ATOM 0 H ALA A 48 5.312 20.229 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 48 5.933 18.381 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.618 18.638 -8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.222 19.686 -9.215 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.719 20.386 -8.554 1.00 0.00 H new ATOM 713 N ASP A 49 8.149 20.447 -5.823 1.00 0.00 N ATOM 714 CA ASP A 49 9.289 20.685 -4.899 1.00 0.00 C ATOM 715 C ASP A 49 8.797 20.485 -3.451 1.00 0.00 C ATOM 716 O ASP A 49 9.575 20.516 -2.518 1.00 0.00 O ATOM 717 CB ASP A 49 9.796 22.128 -5.082 1.00 0.00 C ATOM 718 CG ASP A 49 10.134 22.414 -6.559 1.00 0.00 C ATOM 719 OD1 ASP A 49 9.196 22.476 -7.341 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.317 22.554 -6.827 1.00 0.00 O ATOM 0 H ASP A 49 7.730 21.303 -6.186 1.00 0.00 H new ATOM 0 HA ASP A 49 10.101 19.990 -5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.037 22.830 -4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.681 22.287 -4.466 1.00 0.00 H new ATOM 725 N ASP A 50 7.507 20.283 -3.333 1.00 0.00 N ATOM 726 CA ASP A 50 6.840 20.064 -2.016 1.00 0.00 C ATOM 727 C ASP A 50 6.278 18.647 -1.992 1.00 0.00 C ATOM 728 O ASP A 50 5.702 18.228 -1.007 1.00 0.00 O ATOM 729 CB ASP A 50 5.704 21.098 -1.829 1.00 0.00 C ATOM 730 CG ASP A 50 6.320 22.450 -1.404 1.00 0.00 C ATOM 731 OD1 ASP A 50 6.899 22.466 -0.329 1.00 0.00 O ATOM 732 OD2 ASP A 50 6.184 23.389 -2.165 1.00 0.00 O ATOM 0 H ASP A 50 6.868 20.261 -4.128 1.00 0.00 H new ATOM 0 HA ASP A 50 7.555 20.189 -1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.144 21.214 -2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.000 20.751 -1.073 1.00 0.00 H new ATOM 737 N LYS A 51 6.469 17.950 -3.085 1.00 0.00 N ATOM 738 CA LYS A 51 5.976 16.551 -3.173 1.00 0.00 C ATOM 739 C LYS A 51 7.152 15.763 -2.658 1.00 0.00 C ATOM 740 O LYS A 51 6.986 14.990 -1.750 1.00 0.00 O ATOM 741 CB LYS A 51 5.728 16.053 -4.592 1.00 0.00 C ATOM 742 CG LYS A 51 4.507 16.676 -5.223 1.00 0.00 C ATOM 743 CD LYS A 51 4.313 15.968 -6.569 1.00 0.00 C ATOM 744 CE LYS A 51 3.016 16.447 -7.211 1.00 0.00 C ATOM 745 NZ LYS A 51 2.827 15.782 -8.528 1.00 0.00 N ATOM 0 H LYS A 51 6.946 18.295 -3.918 1.00 0.00 H new ATOM 0 HA LYS A 51 5.027 16.459 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.601 16.271 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.611 14.969 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.632 16.548 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.645 17.748 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.156 16.177 -7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.282 14.888 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.173 16.225 -6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.042 17.529 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.598 16.497 -9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.702 15.288 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.049 15.095 -8.462 1.00 0.00 H new ATOM 759 N GLN A 52 8.287 15.992 -3.273 1.00 0.00 N ATOM 760 CA GLN A 52 9.566 15.307 -2.900 1.00 0.00 C ATOM 761 C GLN A 52 9.600 14.774 -1.445 1.00 0.00 C ATOM 762 O GLN A 52 9.759 13.586 -1.281 1.00 0.00 O ATOM 763 CB GLN A 52 10.728 16.316 -3.162 1.00 0.00 C ATOM 764 CG GLN A 52 11.804 15.697 -4.096 1.00 0.00 C ATOM 765 CD GLN A 52 11.262 15.288 -5.488 1.00 0.00 C ATOM 766 OE1 GLN A 52 9.996 15.401 -5.788 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.014 14.848 -6.334 1.00 0.00 N flip ATOM 0 H GLN A 52 8.382 16.650 -4.047 1.00 0.00 H new ATOM 0 HA GLN A 52 9.669 14.413 -3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.330 17.225 -3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.185 16.603 -2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.614 16.415 -4.228 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.232 14.820 -3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.008 14.748 -6.130 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.651 14.579 -7.249 1.00 0.00 H new ATOM 776 N PRO A 53 9.446 15.611 -0.436 1.00 0.00 N ATOM 777 CA PRO A 53 9.363 15.164 0.991 1.00 0.00 C ATOM 778 C PRO A 53 8.406 13.986 1.248 1.00 0.00 C ATOM 779 O PRO A 53 8.765 12.995 1.854 1.00 0.00 O ATOM 780 CB PRO A 53 8.958 16.431 1.755 1.00 0.00 C ATOM 781 CG PRO A 53 8.343 17.332 0.652 1.00 0.00 C ATOM 782 CD PRO A 53 9.298 17.090 -0.520 1.00 0.00 C ATOM 0 HA PRO A 53 10.316 14.752 1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.238 16.212 2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.816 16.906 2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.320 17.043 0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.317 18.381 0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.878 17.413 -1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.248 17.611 -0.397 1.00 0.00 H new ATOM 790 N TYR A 54 7.208 14.156 0.759 1.00 0.00 N ATOM 791 CA TYR A 54 6.136 13.122 0.917 1.00 0.00 C ATOM 792 C TYR A 54 6.420 11.929 -0.001 1.00 0.00 C ATOM 793 O TYR A 54 6.397 10.786 0.412 1.00 0.00 O ATOM 794 CB TYR A 54 4.778 13.746 0.545 1.00 0.00 C ATOM 795 CG TYR A 54 4.431 14.923 1.474 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.352 14.753 2.844 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.187 16.173 0.944 1.00 0.00 C ATOM 798 CE1 TYR A 54 4.036 15.815 3.666 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.871 17.236 1.767 1.00 0.00 C ATOM 800 CZ TYR A 54 3.792 17.065 3.134 1.00 0.00 C ATOM 801 OH TYR A 54 3.473 18.125 3.960 1.00 0.00 O ATOM 0 H TYR A 54 6.917 14.987 0.244 1.00 0.00 H new ATOM 0 HA TYR A 54 6.115 12.776 1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.805 14.091 -0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.997 12.988 0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.539 13.780 3.274 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.244 16.322 -0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.979 15.667 4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.684 18.209 1.337 1.00 0.00 H new ATOM 0 HH TYR A 54 2.501 18.166 4.079 1.00 0.00 H new ATOM 811 N GLU A 55 6.675 12.256 -1.237 1.00 0.00 N ATOM 812 CA GLU A 55 6.980 11.233 -2.277 1.00 0.00 C ATOM 813 C GLU A 55 8.066 10.268 -1.796 1.00 0.00 C ATOM 814 O GLU A 55 7.877 9.070 -1.818 1.00 0.00 O ATOM 815 CB GLU A 55 7.420 11.985 -3.557 1.00 0.00 C ATOM 816 CG GLU A 55 6.480 11.592 -4.715 1.00 0.00 C ATOM 817 CD GLU A 55 6.948 12.251 -6.028 1.00 0.00 C ATOM 818 OE1 GLU A 55 6.952 13.472 -6.067 1.00 0.00 O ATOM 819 OE2 GLU A 55 7.275 11.491 -6.925 1.00 0.00 O ATOM 0 H GLU A 55 6.685 13.217 -1.579 1.00 0.00 H new ATOM 0 HA GLU A 55 6.098 10.628 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.385 13.062 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.451 11.734 -3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.465 10.508 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.460 11.903 -4.487 1.00 0.00 H new ATOM 826 N LYS A 56 9.176 10.820 -1.379 1.00 0.00 N ATOM 827 CA LYS A 56 10.320 10.012 -0.872 1.00 0.00 C ATOM 828 C LYS A 56 9.839 8.947 0.124 1.00 0.00 C ATOM 829 O LYS A 56 10.334 7.835 0.123 1.00 0.00 O ATOM 830 CB LYS A 56 11.334 10.967 -0.195 1.00 0.00 C ATOM 831 CG LYS A 56 12.179 11.715 -1.266 1.00 0.00 C ATOM 832 CD LYS A 56 13.295 10.797 -1.852 1.00 0.00 C ATOM 833 CE LYS A 56 14.429 10.578 -0.819 1.00 0.00 C ATOM 834 NZ LYS A 56 15.108 11.870 -0.502 1.00 0.00 N ATOM 0 H LYS A 56 9.339 11.827 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 56 10.796 9.493 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.804 11.688 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.991 10.400 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.528 12.058 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.631 12.601 -0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.868 9.836 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.704 11.247 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.019 10.143 0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.155 9.867 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.053 11.679 -0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.200 12.436 -1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.545 12.396 0.196 1.00 0.00 H new ATOM 848 N LYS A 57 8.873 9.310 0.938 1.00 0.00 N ATOM 849 CA LYS A 57 8.364 8.319 1.940 1.00 0.00 C ATOM 850 C LYS A 57 7.624 7.240 1.165 1.00 0.00 C ATOM 851 O LYS A 57 7.960 6.079 1.267 1.00 0.00 O ATOM 852 CB LYS A 57 7.372 8.960 2.940 1.00 0.00 C ATOM 853 CG LYS A 57 8.043 10.082 3.740 1.00 0.00 C ATOM 854 CD LYS A 57 7.148 10.377 4.963 1.00 0.00 C ATOM 855 CE LYS A 57 7.721 11.548 5.769 1.00 0.00 C ATOM 856 NZ LYS A 57 7.646 12.802 4.964 1.00 0.00 N ATOM 0 H LYS A 57 8.425 10.226 0.953 1.00 0.00 H new ATOM 0 HA LYS A 57 9.207 7.927 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.513 9.358 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.995 8.198 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.041 9.782 4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.159 10.975 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.136 10.613 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.079 9.491 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.164 11.668 6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.756 11.342 6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.741 13.625 5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.415 12.811 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.730 12.845 4.473 1.00 0.00 H new ATOM 870 N ALA A 58 6.633 7.666 0.417 1.00 0.00 N ATOM 871 CA ALA A 58 5.820 6.712 -0.405 1.00 0.00 C ATOM 872 C ALA A 58 6.740 5.663 -1.043 1.00 0.00 C ATOM 873 O ALA A 58 6.542 4.478 -0.888 1.00 0.00 O ATOM 874 CB ALA A 58 5.078 7.483 -1.510 1.00 0.00 C ATOM 0 H ALA A 58 6.350 8.643 0.340 1.00 0.00 H new ATOM 0 HA ALA A 58 5.095 6.213 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.488 6.787 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.418 8.223 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.802 7.986 -2.151 1.00 0.00 H new ATOM 880 N ALA A 59 7.729 6.172 -1.735 1.00 0.00 N ATOM 881 CA ALA A 59 8.740 5.324 -2.434 1.00 0.00 C ATOM 882 C ALA A 59 9.347 4.295 -1.471 1.00 0.00 C ATOM 883 O ALA A 59 9.251 3.109 -1.703 1.00 0.00 O ATOM 884 CB ALA A 59 9.847 6.240 -3.001 1.00 0.00 C ATOM 0 H ALA A 59 7.880 7.175 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 59 8.256 4.779 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.593 5.634 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.409 6.948 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.322 6.785 -2.185 1.00 0.00 H new ATOM 890 N LYS A 60 9.948 4.786 -0.418 1.00 0.00 N ATOM 891 CA LYS A 60 10.589 3.922 0.614 1.00 0.00 C ATOM 892 C LYS A 60 9.649 2.786 1.050 1.00 0.00 C ATOM 893 O LYS A 60 10.062 1.647 1.133 1.00 0.00 O ATOM 894 CB LYS A 60 10.980 4.852 1.785 1.00 0.00 C ATOM 895 CG LYS A 60 11.941 4.134 2.754 1.00 0.00 C ATOM 896 CD LYS A 60 12.593 5.201 3.662 1.00 0.00 C ATOM 897 CE LYS A 60 13.619 4.556 4.607 1.00 0.00 C ATOM 898 NZ LYS A 60 12.937 3.654 5.575 1.00 0.00 N ATOM 0 H LYS A 60 10.022 5.785 -0.227 1.00 0.00 H new ATOM 0 HA LYS A 60 11.476 3.424 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.454 5.754 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.084 5.167 2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.400 3.403 3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.704 3.589 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.082 5.958 3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.824 5.709 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.351 3.993 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.165 5.331 5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.612 3.359 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.142 4.157 6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.580 2.815 5.075 1.00 0.00 H new ATOM 912 N LEU A 61 8.406 3.107 1.314 1.00 0.00 N ATOM 913 CA LEU A 61 7.458 2.024 1.740 1.00 0.00 C ATOM 914 C LEU A 61 7.203 1.084 0.557 1.00 0.00 C ATOM 915 O LEU A 61 7.376 -0.110 0.687 1.00 0.00 O ATOM 916 CB LEU A 61 6.169 2.696 2.223 1.00 0.00 C ATOM 917 CG LEU A 61 6.557 3.768 3.277 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.283 4.404 3.809 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.413 3.160 4.433 1.00 0.00 C ATOM 0 H LEU A 61 8.012 4.046 1.256 1.00 0.00 H new ATOM 0 HA LEU A 61 7.870 1.425 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.642 3.156 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.494 1.959 2.659 1.00 0.00 H new ATOM 0 HG LEU A 61 7.178 4.529 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.537 5.161 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.739 4.870 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.659 3.638 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.664 3.942 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.844 2.377 4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.329 2.736 4.023 1.00 0.00 H new ATOM 931 N LYS A 62 6.791 1.644 -0.551 1.00 0.00 N ATOM 932 CA LYS A 62 6.510 0.869 -1.808 1.00 0.00 C ATOM 933 C LYS A 62 7.607 -0.212 -1.925 1.00 0.00 C ATOM 934 O LYS A 62 7.352 -1.390 -2.053 1.00 0.00 O ATOM 935 CB LYS A 62 6.568 1.858 -2.998 1.00 0.00 C ATOM 936 CG LYS A 62 5.409 1.686 -3.995 1.00 0.00 C ATOM 937 CD LYS A 62 5.385 0.268 -4.621 1.00 0.00 C ATOM 938 CE LYS A 62 5.105 0.383 -6.135 1.00 0.00 C ATOM 939 NZ LYS A 62 3.900 1.224 -6.398 1.00 0.00 N ATOM 0 H LYS A 62 6.630 2.647 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 62 5.530 0.392 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.558 2.878 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.513 1.725 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.463 1.874 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.499 2.430 -4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.339 -0.232 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.617 -0.340 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.971 0.816 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.957 -0.611 -6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.446 0.914 -7.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.229 1.125 -5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.185 2.220 -6.487 1.00 0.00 H new