USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 577 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: X 25 SER OG : rot 180:sc= -0.0149 USER MOD Set 1.2: X 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: X 24 LYS NZ :NH3+ -179:sc= 2.13 (180deg=1.31) USER MOD Set 2.2: X 54 TYR OH : rot 180:sc= 0.723 USER MOD Single : X 6 CYS SG : rot 180:sc= 0 USER MOD Single : X 8 THR OG1 : rot -63:sc= 0.991 USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 12 ASN :FLIP amide:sc= -0.754 F(o=-2.1!,f=-0.75) USER MOD Single : X 14 LYS NZ :NH3+ 164:sc= -4.23! (180deg=-5.86!) USER MOD Single : X 15 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 SER OG : rot 180:sc= 0 USER MOD Single : X 23 LYS NZ :NH3+ -170:sc= -0.0225 (180deg=-0.189) USER MOD Single : X 26 SER OG : rot 160:sc= -0.211 USER MOD Single : X 32 LYS NZ :NH3+ -170:sc= -0.0368 (180deg=-0.198) USER MOD Single : X 33 LYS NZ :NH3+ 162:sc= -0.0605 (180deg=-0.365) USER MOD Single : X 34 THR OG1 : rot 74:sc= 0.788 USER MOD Single : X 37 LYS NZ :NH3+ -175:sc= -0.0467 (180deg=-0.0671) USER MOD Single : X 38 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : X 40 TYR OH : rot 180:sc= 0 USER MOD Single : X 42 TYR OH : rot 180:sc= 0 USER MOD Single : X 48 THR OG1 : rot 180:sc= -0.244 USER MOD Single : X 50 ASN :FLIP amide:sc= 0 F(o=-0.64!,f=0) USER MOD Single : X 51 LYS NZ :NH3+ 168:sc=-0.00489 (180deg=-0.148) USER MOD Single : X 56 ASN :FLIP amide:sc= -3.95! C(o=-4.8!,f=-4!) USER MOD Single : X 65 GLN : amide:sc= 0.718 K(o=0.72,f=-0.1) USER MOD Single : X 67 LYS NZ :NH3+ -173:sc= 1.14 (180deg=1.08) USER MOD Single : X 73 ASN :FLIP amide:sc= -0.758 F(o=-2.5!,f=-0.76) USER MOD Single : X 75 THR OG1 : rot 150:sc= -0.42 USER MOD Single : X 77 ASN : amide:sc= -2.32 K(o=-2.3,f=-6.8!) USER MOD Single : X 78 TYR OH : rot 29:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 72 N ASP X 5 -8.547 5.914 -1.114 1.00 0.00 N ATOM 73 CA ASP X 5 -7.504 6.482 -1.976 1.00 0.00 C ATOM 74 C ASP X 5 -7.175 5.518 -3.138 1.00 0.00 C ATOM 75 O ASP X 5 -7.516 4.326 -3.080 1.00 0.00 O ATOM 76 CB ASP X 5 -6.267 6.808 -1.104 1.00 0.00 C ATOM 77 CG ASP X 5 -5.076 7.362 -1.846 1.00 0.00 C ATOM 78 OD1 ASP X 5 -5.259 8.020 -2.891 1.00 0.00 O ATOM 79 OD2 ASP X 5 -3.959 7.201 -1.363 1.00 0.00 O ATOM 0 HA ASP X 5 -7.852 7.407 -2.437 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -6.563 7.526 -0.339 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -5.960 5.899 -0.586 1.00 0.00 H new ATOM 84 N CYS X 6 -6.510 6.007 -4.158 1.00 0.00 N ATOM 85 CA CYS X 6 -6.288 5.212 -5.346 1.00 0.00 C ATOM 86 C CYS X 6 -4.903 4.657 -5.371 1.00 0.00 C ATOM 87 O CYS X 6 -3.939 5.357 -5.686 1.00 0.00 O ATOM 88 CB CYS X 6 -6.466 6.007 -6.609 1.00 0.00 C ATOM 89 SG CYS X 6 -7.735 7.312 -6.529 1.00 0.00 S ATOM 0 H CYS X 6 -6.114 6.947 -4.191 1.00 0.00 H new ATOM 0 HA CYS X 6 -7.029 4.414 -5.305 1.00 0.00 H new ATOM 0 HB2 CYS X 6 -5.512 6.465 -6.869 1.00 0.00 H new ATOM 0 HB3 CYS X 6 -6.722 5.322 -7.418 1.00 0.00 H new ATOM 0 HG CYS X 6 -7.796 7.929 -7.672 1.00 0.00 H new ATOM 94 N TRP X 7 -4.781 3.431 -5.059 1.00 0.00 N ATOM 95 CA TRP X 7 -3.507 2.827 -5.093 1.00 0.00 C ATOM 96 C TRP X 7 -3.461 2.088 -6.393 1.00 0.00 C ATOM 97 O TRP X 7 -4.460 1.502 -6.813 1.00 0.00 O ATOM 98 CB TRP X 7 -3.280 1.885 -3.874 1.00 0.00 C ATOM 99 CG TRP X 7 -4.010 2.328 -2.638 1.00 0.00 C ATOM 100 CD1 TRP X 7 -4.293 3.599 -2.261 1.00 0.00 C ATOM 101 CD2 TRP X 7 -4.522 1.498 -1.606 1.00 0.00 C ATOM 102 NE1 TRP X 7 -5.050 3.604 -1.156 1.00 0.00 N ATOM 103 CE2 TRP X 7 -5.174 2.335 -0.698 1.00 0.00 C ATOM 104 CE3 TRP X 7 -4.511 0.130 -1.373 1.00 0.00 C ATOM 105 CZ2 TRP X 7 -5.819 1.850 0.414 1.00 0.00 C ATOM 106 CZ3 TRP X 7 -5.130 -0.352 -0.252 1.00 0.00 C ATOM 107 CH2 TRP X 7 -5.778 0.503 0.624 1.00 0.00 C ATOM 0 H TRP X 7 -5.547 2.820 -4.776 1.00 0.00 H new ATOM 0 HA TRP X 7 -2.707 3.565 -5.025 1.00 0.00 H new ATOM 0 HB2 TRP X 7 -3.603 0.878 -4.137 1.00 0.00 H new ATOM 0 HB3 TRP X 7 -2.213 1.832 -3.658 1.00 0.00 H new ATOM 0 HD1 TRP X 7 -3.955 4.484 -2.779 1.00 0.00 H new ATOM 0 HE1 TRP X 7 -5.466 4.431 -0.728 1.00 0.00 H new ATOM 0 HE3 TRP X 7 -4.023 -0.542 -2.064 1.00 0.00 H new ATOM 0 HZ2 TRP X 7 -6.338 2.509 1.095 1.00 0.00 H new ATOM 0 HZ3 TRP X 7 -5.113 -1.412 -0.048 1.00 0.00 H new ATOM 0 HH2 TRP X 7 -6.264 0.092 1.497 1.00 0.00 H new ATOM 118 N THR X 8 -2.390 2.188 -7.071 1.00 0.00 N ATOM 119 CA THR X 8 -2.238 1.533 -8.297 1.00 0.00 C ATOM 120 C THR X 8 -1.392 0.324 -8.068 1.00 0.00 C ATOM 121 O THR X 8 -0.373 0.398 -7.351 1.00 0.00 O ATOM 122 CB THR X 8 -1.571 2.464 -9.310 1.00 0.00 C ATOM 123 OG1 THR X 8 -0.288 2.904 -8.826 1.00 0.00 O ATOM 124 CG2 THR X 8 -2.440 3.671 -9.579 1.00 0.00 C ATOM 0 H THR X 8 -1.581 2.738 -6.782 1.00 0.00 H new ATOM 0 HA THR X 8 -3.210 1.242 -8.696 1.00 0.00 H new ATOM 0 HB THR X 8 -1.435 1.905 -10.236 1.00 0.00 H new ATOM 0 HG1 THR X 8 -0.409 3.423 -8.003 1.00 0.00 H new ATOM 0 HG21 THR X 8 -1.947 4.320 -10.302 1.00 0.00 H new ATOM 0 HG22 THR X 8 -3.401 3.346 -9.979 1.00 0.00 H new ATOM 0 HG23 THR X 8 -2.600 4.218 -8.650 1.00 0.00 H new ATOM 132 N PHE X 9 -1.817 -0.779 -8.604 1.00 0.00 N ATOM 133 CA PHE X 9 -1.167 -2.005 -8.346 1.00 0.00 C ATOM 134 C PHE X 9 -0.187 -2.306 -9.441 1.00 0.00 C ATOM 135 O PHE X 9 -0.487 -2.102 -10.628 1.00 0.00 O ATOM 136 CB PHE X 9 -2.183 -3.132 -8.230 1.00 0.00 C ATOM 137 CG PHE X 9 -1.611 -4.270 -7.500 1.00 0.00 C ATOM 138 CD1 PHE X 9 -1.377 -4.126 -6.173 1.00 0.00 C ATOM 139 CD2 PHE X 9 -1.254 -5.445 -8.125 1.00 0.00 C ATOM 140 CE1 PHE X 9 -0.811 -5.109 -5.447 1.00 0.00 C ATOM 141 CE2 PHE X 9 -0.666 -6.453 -7.397 1.00 0.00 C ATOM 142 CZ PHE X 9 -0.449 -6.270 -6.041 1.00 0.00 C ATOM 0 H PHE X 9 -2.621 -0.844 -9.228 1.00 0.00 H new ATOM 0 HA PHE X 9 -0.630 -1.923 -7.401 1.00 0.00 H new ATOM 0 HB2 PHE X 9 -3.074 -2.774 -7.715 1.00 0.00 H new ATOM 0 HB3 PHE X 9 -2.496 -3.451 -9.224 1.00 0.00 H new ATOM 0 HD1 PHE X 9 -1.651 -3.202 -5.686 1.00 0.00 H new ATOM 0 HD2 PHE X 9 -1.435 -5.574 -9.182 1.00 0.00 H new ATOM 0 HE1 PHE X 9 -0.646 -4.971 -4.389 1.00 0.00 H new ATOM 0 HE2 PHE X 9 -0.377 -7.376 -7.877 1.00 0.00 H new ATOM 0 HZ PHE X 9 0.009 -7.055 -5.457 1.00 0.00 H new ATOM 152 N TYR X 10 0.979 -2.745 -9.079 1.00 0.00 N ATOM 153 CA TYR X 10 1.934 -3.091 -10.067 1.00 0.00 C ATOM 154 C TYR X 10 2.045 -4.611 -10.192 1.00 0.00 C ATOM 155 O TYR X 10 1.746 -5.163 -11.259 1.00 0.00 O ATOM 156 CB TYR X 10 3.283 -2.417 -9.783 1.00 0.00 C ATOM 157 CG TYR X 10 4.348 -2.614 -10.840 1.00 0.00 C ATOM 158 CD1 TYR X 10 4.302 -1.903 -12.029 1.00 0.00 C ATOM 159 CD2 TYR X 10 5.407 -3.490 -10.641 1.00 0.00 C ATOM 160 CE1 TYR X 10 5.272 -2.059 -12.990 1.00 0.00 C ATOM 161 CE2 TYR X 10 6.384 -3.647 -11.600 1.00 0.00 C ATOM 162 CZ TYR X 10 6.313 -2.930 -12.773 1.00 0.00 C ATOM 163 OH TYR X 10 7.285 -3.087 -13.737 1.00 0.00 O ATOM 0 H TYR X 10 1.284 -2.869 -8.114 1.00 0.00 H new ATOM 0 HA TYR X 10 1.599 -2.716 -11.034 1.00 0.00 H new ATOM 0 HB2 TYR X 10 3.115 -1.347 -9.657 1.00 0.00 H new ATOM 0 HB3 TYR X 10 3.664 -2.794 -8.834 1.00 0.00 H new ATOM 0 HD1 TYR X 10 3.489 -1.214 -12.203 1.00 0.00 H new ATOM 0 HD2 TYR X 10 5.466 -4.056 -9.723 1.00 0.00 H new ATOM 0 HE1 TYR X 10 5.217 -1.499 -13.912 1.00 0.00 H new ATOM 0 HE2 TYR X 10 7.203 -4.331 -11.432 1.00 0.00 H new ATOM 0 HH TYR X 10 7.950 -3.737 -13.428 1.00 0.00 H new ATOM 173 N ALA X 11 2.405 -5.295 -9.119 1.00 0.00 N ATOM 174 CA ALA X 11 2.641 -6.734 -9.149 1.00 0.00 C ATOM 175 C ALA X 11 2.769 -7.215 -7.742 1.00 0.00 C ATOM 176 O ALA X 11 2.812 -6.408 -6.843 1.00 0.00 O ATOM 177 CB ALA X 11 3.912 -7.063 -9.934 1.00 0.00 C ATOM 0 H ALA X 11 2.543 -4.871 -8.201 1.00 0.00 H new ATOM 0 HA ALA X 11 1.807 -7.230 -9.646 1.00 0.00 H new ATOM 0 HB1 ALA X 11 4.066 -8.142 -9.942 1.00 0.00 H new ATOM 0 HB2 ALA X 11 3.810 -6.704 -10.958 1.00 0.00 H new ATOM 0 HB3 ALA X 11 4.767 -6.578 -9.462 1.00 0.00 H new ATOM 183 N ASN X 12 2.705 -8.501 -7.466 1.00 0.00 N ATOM 184 CA ASN X 12 3.034 -8.789 -6.093 1.00 0.00 C ATOM 185 C ASN X 12 4.539 -8.847 -6.090 1.00 0.00 C ATOM 186 O ASN X 12 5.136 -9.736 -6.687 1.00 0.00 O ATOM 187 CB ASN X 12 2.453 -10.153 -5.636 1.00 0.00 C ATOM 188 CG ASN X 12 0.917 -10.217 -5.545 1.00 0.00 C ATOM 189 OD1 ASN X 12 0.221 -9.470 -6.360 1.00 0.00 O flip ATOM 190 ND2 ASN X 12 0.368 -10.957 -4.740 1.00 0.00 N flip ATOM 0 H ASN X 12 2.461 -9.274 -8.085 1.00 0.00 H new ATOM 0 HA ASN X 12 2.623 -8.044 -5.412 1.00 0.00 H new ATOM 0 HB2 ASN X 12 2.792 -10.924 -6.328 1.00 0.00 H new ATOM 0 HB3 ASN X 12 2.869 -10.397 -4.659 1.00 0.00 H new ATOM 0 HD21 ASN X 12 0.929 -11.533 -4.112 1.00 0.00 H new ATOM 0 HD22 ASN X 12 -0.650 -10.998 -4.697 1.00 0.00 H new ATOM 197 N ARG X 13 5.137 -7.914 -5.402 1.00 0.00 N ATOM 198 CA ARG X 13 6.573 -7.755 -5.327 1.00 0.00 C ATOM 199 C ARG X 13 6.914 -7.066 -4.059 1.00 0.00 C ATOM 200 O ARG X 13 6.012 -6.593 -3.343 1.00 0.00 O ATOM 201 CB ARG X 13 7.174 -6.973 -6.512 1.00 0.00 C ATOM 202 CG ARG X 13 7.059 -7.652 -7.863 1.00 0.00 C ATOM 203 CD ARG X 13 7.689 -6.836 -8.970 1.00 0.00 C ATOM 204 NE ARG X 13 7.529 -7.503 -10.269 1.00 0.00 N ATOM 205 CZ ARG X 13 7.955 -7.038 -11.445 1.00 0.00 C ATOM 206 NH1 ARG X 13 8.684 -5.916 -11.502 1.00 0.00 N ATOM 207 NH2 ARG X 13 7.664 -7.703 -12.560 1.00 0.00 N ATOM 0 H ARG X 13 4.626 -7.218 -4.859 1.00 0.00 H new ATOM 0 HA ARG X 13 7.005 -8.755 -5.367 1.00 0.00 H new ATOM 0 HB2 ARG X 13 6.684 -6.001 -6.570 1.00 0.00 H new ATOM 0 HB3 ARG X 13 8.228 -6.787 -6.306 1.00 0.00 H new ATOM 0 HG2 ARG X 13 7.538 -8.630 -7.818 1.00 0.00 H new ATOM 0 HG3 ARG X 13 6.007 -7.822 -8.093 1.00 0.00 H new ATOM 0 HD2 ARG X 13 7.230 -5.848 -9.005 1.00 0.00 H new ATOM 0 HD3 ARG X 13 8.748 -6.688 -8.761 1.00 0.00 H new ATOM 0 HE ARG X 13 7.049 -8.403 -10.272 1.00 0.00 H new ATOM 0 HH11 ARG X 13 8.915 -5.414 -10.645 1.00 0.00 H new ATOM 0 HH12 ARG X 13 9.008 -5.563 -12.403 1.00 0.00 H new ATOM 0 HH21 ARG X 13 7.118 -8.563 -12.513 1.00 0.00 H new ATOM 0 HH22 ARG X 13 7.987 -7.352 -13.462 1.00 0.00 H new ATOM 221 N LYS X 14 8.156 -7.106 -3.694 1.00 0.00 N ATOM 222 CA LYS X 14 8.628 -6.390 -2.572 1.00 0.00 C ATOM 223 C LYS X 14 10.120 -6.262 -2.547 1.00 0.00 C ATOM 224 O LYS X 14 10.834 -7.202 -2.836 1.00 0.00 O ATOM 225 CB LYS X 14 8.208 -7.123 -1.408 1.00 0.00 C ATOM 226 CG LYS X 14 8.215 -6.413 -0.136 1.00 0.00 C ATOM 227 CD LYS X 14 7.226 -7.115 0.733 1.00 0.00 C ATOM 228 CE LYS X 14 5.762 -6.797 0.355 1.00 0.00 C ATOM 229 NZ LYS X 14 5.264 -7.540 -0.860 1.00 0.00 N ATOM 0 H LYS X 14 8.873 -7.646 -4.179 1.00 0.00 H new ATOM 0 HA LYS X 14 8.226 -5.378 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS X 14 7.196 -7.488 -1.586 1.00 0.00 H new ATOM 0 HB3 LYS X 14 8.850 -7.998 -1.310 1.00 0.00 H new ATOM 0 HG2 LYS X 14 9.208 -6.427 0.313 1.00 0.00 H new ATOM 0 HG3 LYS X 14 7.941 -5.367 -0.272 1.00 0.00 H new ATOM 0 HD2 LYS X 14 7.388 -8.191 0.664 1.00 0.00 H new ATOM 0 HD3 LYS X 14 7.397 -6.833 1.772 1.00 0.00 H new ATOM 0 HE2 LYS X 14 5.119 -7.036 1.202 1.00 0.00 H new ATOM 0 HE3 LYS X 14 5.669 -5.726 0.176 1.00 0.00 H new ATOM 0 HZ1 LYS X 14 4.226 -7.493 -0.894 1.00 0.00 H new ATOM 0 HZ2 LYS X 14 5.659 -7.106 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS X 14 5.564 -8.534 -0.806 1.00 0.00 H new ATOM 243 N TYR X 15 10.586 -5.123 -2.214 1.00 0.00 N ATOM 244 CA TYR X 15 11.930 -5.017 -1.796 1.00 0.00 C ATOM 245 C TYR X 15 11.789 -5.304 -0.318 1.00 0.00 C ATOM 246 O TYR X 15 11.270 -4.472 0.421 1.00 0.00 O ATOM 247 CB TYR X 15 12.489 -3.617 -2.069 1.00 0.00 C ATOM 248 CG TYR X 15 13.954 -3.432 -1.706 1.00 0.00 C ATOM 249 CD1 TYR X 15 14.339 -3.029 -0.430 1.00 0.00 C ATOM 250 CD2 TYR X 15 14.951 -3.666 -2.644 1.00 0.00 C ATOM 251 CE1 TYR X 15 15.671 -2.865 -0.104 1.00 0.00 C ATOM 252 CE2 TYR X 15 16.285 -3.506 -2.325 1.00 0.00 C ATOM 253 CZ TYR X 15 16.641 -3.106 -1.054 1.00 0.00 C ATOM 254 OH TYR X 15 17.981 -2.952 -0.729 1.00 0.00 O ATOM 0 H TYR X 15 10.059 -4.249 -2.222 1.00 0.00 H new ATOM 0 HA TYR X 15 12.626 -5.680 -2.310 1.00 0.00 H new ATOM 0 HB2 TYR X 15 12.360 -3.390 -3.127 1.00 0.00 H new ATOM 0 HB3 TYR X 15 11.897 -2.890 -1.513 1.00 0.00 H new ATOM 0 HD1 TYR X 15 13.583 -2.841 0.318 1.00 0.00 H new ATOM 0 HD2 TYR X 15 14.678 -3.979 -3.641 1.00 0.00 H new ATOM 0 HE1 TYR X 15 15.952 -2.550 0.890 1.00 0.00 H new ATOM 0 HE2 TYR X 15 17.046 -3.693 -3.068 1.00 0.00 H new ATOM 0 HH TYR X 15 18.533 -3.162 -1.511 1.00 0.00 H new ATOM 264 N THR X 16 12.057 -6.549 0.040 1.00 0.00 N ATOM 265 CA THR X 16 11.830 -7.114 1.353 1.00 0.00 C ATOM 266 C THR X 16 12.589 -6.448 2.497 1.00 0.00 C ATOM 267 O THR X 16 13.501 -7.025 3.107 1.00 0.00 O ATOM 268 CB THR X 16 12.040 -8.638 1.315 1.00 0.00 C ATOM 269 OG1 THR X 16 13.233 -8.925 0.554 1.00 0.00 O ATOM 270 CG2 THR X 16 10.855 -9.317 0.646 1.00 0.00 C ATOM 0 H THR X 16 12.458 -7.223 -0.612 1.00 0.00 H new ATOM 0 HA THR X 16 10.789 -6.899 1.593 1.00 0.00 H new ATOM 0 HB THR X 16 12.137 -9.011 2.334 1.00 0.00 H new ATOM 0 HG1 THR X 16 13.377 -9.894 0.525 1.00 0.00 H new ATOM 0 HG21 THR X 16 11.017 -10.395 0.626 1.00 0.00 H new ATOM 0 HG22 THR X 16 9.946 -9.097 1.206 1.00 0.00 H new ATOM 0 HG23 THR X 16 10.752 -8.947 -0.374 1.00 0.00 H new ATOM 278 N ASP X 17 12.217 -5.240 2.747 1.00 0.00 N ATOM 279 CA ASP X 17 12.733 -4.451 3.817 1.00 0.00 C ATOM 280 C ASP X 17 11.565 -3.887 4.601 1.00 0.00 C ATOM 281 O ASP X 17 10.845 -3.020 4.117 1.00 0.00 O ATOM 282 CB ASP X 17 13.580 -3.308 3.269 1.00 0.00 C ATOM 283 CG ASP X 17 14.302 -2.555 4.355 1.00 0.00 C ATOM 284 OD1 ASP X 17 13.702 -1.686 4.999 1.00 0.00 O ATOM 285 OD2 ASP X 17 15.504 -2.816 4.560 1.00 0.00 O ATOM 0 H ASP X 17 11.516 -4.753 2.189 1.00 0.00 H new ATOM 0 HA ASP X 17 13.360 -5.069 4.460 1.00 0.00 H new ATOM 0 HB2 ASP X 17 14.307 -3.706 2.561 1.00 0.00 H new ATOM 0 HB3 ASP X 17 12.941 -2.619 2.716 1.00 0.00 H new ATOM 290 N PHE X 18 11.337 -4.418 5.775 1.00 0.00 N ATOM 291 CA PHE X 18 10.257 -3.948 6.629 1.00 0.00 C ATOM 292 C PHE X 18 10.759 -2.965 7.662 1.00 0.00 C ATOM 293 O PHE X 18 10.037 -2.572 8.590 1.00 0.00 O ATOM 294 CB PHE X 18 9.484 -5.116 7.252 1.00 0.00 C ATOM 295 CG PHE X 18 8.500 -5.732 6.291 1.00 0.00 C ATOM 296 CD1 PHE X 18 8.914 -6.582 5.279 1.00 0.00 C ATOM 297 CD2 PHE X 18 7.154 -5.435 6.394 1.00 0.00 C ATOM 298 CE1 PHE X 18 8.002 -7.117 4.387 1.00 0.00 C ATOM 299 CE2 PHE X 18 6.236 -5.967 5.510 1.00 0.00 C ATOM 300 CZ PHE X 18 6.658 -6.807 4.505 1.00 0.00 C ATOM 0 H PHE X 18 11.885 -5.182 6.171 1.00 0.00 H new ATOM 0 HA PHE X 18 9.547 -3.407 6.003 1.00 0.00 H new ATOM 0 HB2 PHE X 18 10.189 -5.878 7.584 1.00 0.00 H new ATOM 0 HB3 PHE X 18 8.953 -4.766 8.137 1.00 0.00 H new ATOM 0 HD1 PHE X 18 9.961 -6.830 5.185 1.00 0.00 H new ATOM 0 HD2 PHE X 18 6.814 -4.776 7.179 1.00 0.00 H new ATOM 0 HE1 PHE X 18 8.338 -7.776 3.600 1.00 0.00 H new ATOM 0 HE2 PHE X 18 5.188 -5.724 5.607 1.00 0.00 H new ATOM 0 HZ PHE X 18 5.943 -7.223 3.811 1.00 0.00 H new ATOM 310 N ASP X 19 11.976 -2.511 7.440 1.00 0.00 N ATOM 311 CA ASP X 19 12.625 -1.512 8.281 1.00 0.00 C ATOM 312 C ASP X 19 12.056 -0.142 7.949 1.00 0.00 C ATOM 313 O ASP X 19 12.116 0.800 8.746 1.00 0.00 O ATOM 314 CB ASP X 19 14.140 -1.534 8.055 1.00 0.00 C ATOM 315 CG ASP X 19 14.870 -0.466 8.824 1.00 0.00 C ATOM 316 OD1 ASP X 19 15.203 -0.703 10.002 1.00 0.00 O ATOM 317 OD2 ASP X 19 15.130 0.637 8.263 1.00 0.00 O ATOM 0 H ASP X 19 12.554 -2.827 6.661 1.00 0.00 H new ATOM 0 HA ASP X 19 12.436 -1.737 9.331 1.00 0.00 H new ATOM 0 HB2 ASP X 19 14.530 -2.510 8.343 1.00 0.00 H new ATOM 0 HB3 ASP X 19 14.344 -1.410 6.991 1.00 0.00 H new ATOM 322 N LYS X 20 11.459 -0.065 6.763 1.00 0.00 N ATOM 323 CA LYS X 20 10.852 1.153 6.227 1.00 0.00 C ATOM 324 C LYS X 20 9.725 1.692 7.137 1.00 0.00 C ATOM 325 O LYS X 20 9.332 2.834 6.993 1.00 0.00 O ATOM 326 CB LYS X 20 10.320 0.902 4.805 1.00 0.00 C ATOM 327 CG LYS X 20 11.363 0.344 3.830 1.00 0.00 C ATOM 328 CD LYS X 20 12.557 1.282 3.658 1.00 0.00 C ATOM 329 CE LYS X 20 13.597 0.685 2.716 1.00 0.00 C ATOM 330 NZ LYS X 20 14.841 1.487 2.665 1.00 0.00 N ATOM 0 H LYS X 20 11.381 -0.864 6.133 1.00 0.00 H new ATOM 0 HA LYS X 20 11.630 1.916 6.190 1.00 0.00 H new ATOM 0 HB2 LYS X 20 9.483 0.206 4.861 1.00 0.00 H new ATOM 0 HB3 LYS X 20 9.930 1.838 4.405 1.00 0.00 H new ATOM 0 HG2 LYS X 20 11.713 -0.623 4.190 1.00 0.00 H new ATOM 0 HG3 LYS X 20 10.896 0.173 2.860 1.00 0.00 H new ATOM 0 HD2 LYS X 20 12.216 2.241 3.267 1.00 0.00 H new ATOM 0 HD3 LYS X 20 13.012 1.478 4.629 1.00 0.00 H new ATOM 0 HE2 LYS X 20 13.835 -0.329 3.038 1.00 0.00 H new ATOM 0 HE3 LYS X 20 13.175 0.611 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 15.516 1.040 2.012 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 14.621 2.448 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 15.261 1.537 3.615 1.00 0.00 H new ATOM 344 N SER X 21 9.259 0.845 8.083 1.00 0.00 N ATOM 345 CA SER X 21 8.259 1.184 9.109 1.00 0.00 C ATOM 346 C SER X 21 6.810 1.154 8.623 1.00 0.00 C ATOM 347 O SER X 21 6.266 2.123 8.013 1.00 0.00 O ATOM 348 CB SER X 21 8.593 2.469 9.835 1.00 0.00 C ATOM 349 OG SER X 21 9.895 2.388 10.430 1.00 0.00 O ATOM 0 H SER X 21 9.581 -0.120 8.151 1.00 0.00 H new ATOM 0 HA SER X 21 8.324 0.372 9.834 1.00 0.00 H new ATOM 0 HB2 SER X 21 8.557 3.307 9.138 1.00 0.00 H new ATOM 0 HB3 SER X 21 7.846 2.663 10.605 1.00 0.00 H new ATOM 0 HG SER X 21 10.096 3.228 10.894 1.00 0.00 H new ATOM 355 N PHE X 22 6.186 0.031 8.891 1.00 0.00 N ATOM 356 CA PHE X 22 4.835 -0.224 8.491 1.00 0.00 C ATOM 357 C PHE X 22 4.057 -0.575 9.722 1.00 0.00 C ATOM 358 O PHE X 22 4.648 -0.998 10.732 1.00 0.00 O ATOM 359 CB PHE X 22 4.796 -1.403 7.504 1.00 0.00 C ATOM 360 CG PHE X 22 5.646 -1.193 6.285 1.00 0.00 C ATOM 361 CD1 PHE X 22 5.872 0.071 5.820 1.00 0.00 C ATOM 362 CD2 PHE X 22 6.215 -2.248 5.623 1.00 0.00 C ATOM 363 CE1 PHE X 22 6.627 0.313 4.733 1.00 0.00 C ATOM 364 CE2 PHE X 22 6.988 -2.031 4.509 1.00 0.00 C ATOM 365 CZ PHE X 22 7.193 -0.743 4.055 1.00 0.00 C ATOM 0 H PHE X 22 6.616 -0.740 9.402 1.00 0.00 H new ATOM 0 HA PHE X 22 4.410 0.652 8.002 1.00 0.00 H new ATOM 0 HB2 PHE X 22 5.127 -2.306 8.016 1.00 0.00 H new ATOM 0 HB3 PHE X 22 3.765 -1.572 7.193 1.00 0.00 H new ATOM 0 HD1 PHE X 22 5.429 0.906 6.343 1.00 0.00 H new ATOM 0 HD2 PHE X 22 6.055 -3.255 5.979 1.00 0.00 H new ATOM 0 HE1 PHE X 22 6.788 1.326 4.395 1.00 0.00 H new ATOM 0 HE2 PHE X 22 7.435 -2.866 3.989 1.00 0.00 H new ATOM 0 HZ PHE X 22 7.793 -0.565 3.175 1.00 0.00 H new ATOM 375 N LYS X 23 2.781 -0.367 9.695 1.00 0.00 N ATOM 376 CA LYS X 23 1.954 -0.726 10.822 1.00 0.00 C ATOM 377 C LYS X 23 0.877 -1.671 10.360 1.00 0.00 C ATOM 378 O LYS X 23 0.382 -1.542 9.238 1.00 0.00 O ATOM 379 CB LYS X 23 1.348 0.512 11.499 1.00 0.00 C ATOM 380 CG LYS X 23 2.382 1.510 11.999 1.00 0.00 C ATOM 381 CD LYS X 23 1.749 2.646 12.782 1.00 0.00 C ATOM 382 CE LYS X 23 2.784 3.689 13.188 1.00 0.00 C ATOM 383 NZ LYS X 23 3.902 3.112 13.966 1.00 0.00 N ATOM 0 H LYS X 23 2.280 0.049 8.910 1.00 0.00 H new ATOM 0 HA LYS X 23 2.575 -1.220 11.570 1.00 0.00 H new ATOM 0 HB2 LYS X 23 0.686 1.013 10.792 1.00 0.00 H new ATOM 0 HB3 LYS X 23 0.733 0.190 12.339 1.00 0.00 H new ATOM 0 HG2 LYS X 23 3.106 0.995 12.630 1.00 0.00 H new ATOM 0 HG3 LYS X 23 2.931 1.918 11.150 1.00 0.00 H new ATOM 0 HD2 LYS X 23 0.973 3.117 12.179 1.00 0.00 H new ATOM 0 HD3 LYS X 23 1.262 2.249 13.673 1.00 0.00 H new ATOM 0 HE2 LYS X 23 3.180 4.170 12.293 1.00 0.00 H new ATOM 0 HE3 LYS X 23 2.298 4.466 13.779 1.00 0.00 H new ATOM 0 HZ1 LYS X 23 4.484 3.879 14.359 1.00 0.00 H new ATOM 0 HZ2 LYS X 23 3.522 2.533 14.742 1.00 0.00 H new ATOM 0 HZ3 LYS X 23 4.487 2.518 13.345 1.00 0.00 H new ATOM 397 N LYS X 24 0.550 -2.628 11.187 1.00 0.00 N ATOM 398 CA LYS X 24 -0.448 -3.606 10.869 1.00 0.00 C ATOM 399 C LYS X 24 -1.562 -3.603 11.865 1.00 0.00 C ATOM 400 O LYS X 24 -1.353 -3.623 13.084 1.00 0.00 O ATOM 401 CB LYS X 24 0.148 -5.017 10.783 1.00 0.00 C ATOM 402 CG LYS X 24 -0.910 -6.115 10.620 1.00 0.00 C ATOM 403 CD LYS X 24 -0.313 -7.496 10.540 1.00 0.00 C ATOM 404 CE LYS X 24 0.359 -7.936 11.829 1.00 0.00 C ATOM 405 NZ LYS X 24 0.951 -9.275 11.668 1.00 0.00 N ATOM 0 H LYS X 24 0.974 -2.749 12.107 1.00 0.00 H new ATOM 0 HA LYS X 24 -0.846 -3.330 9.893 1.00 0.00 H new ATOM 0 HB2 LYS X 24 0.839 -5.061 9.941 1.00 0.00 H new ATOM 0 HB3 LYS X 24 0.729 -5.214 11.684 1.00 0.00 H new ATOM 0 HG2 LYS X 24 -1.603 -6.072 11.460 1.00 0.00 H new ATOM 0 HG3 LYS X 24 -1.490 -5.923 9.718 1.00 0.00 H new ATOM 0 HD2 LYS X 24 -1.097 -8.209 10.286 1.00 0.00 H new ATOM 0 HD3 LYS X 24 0.417 -7.522 9.731 1.00 0.00 H new ATOM 0 HE2 LYS X 24 1.133 -7.220 12.106 1.00 0.00 H new ATOM 0 HE3 LYS X 24 -0.369 -7.948 12.640 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 1.392 -9.569 12.563 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 0.208 -9.954 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 1.672 -9.248 10.919 1.00 0.00 H new ATOM 419 N SER X 25 -2.714 -3.516 11.340 1.00 0.00 N ATOM 420 CA SER X 25 -3.936 -3.715 12.015 1.00 0.00 C ATOM 421 C SER X 25 -4.796 -4.199 10.896 1.00 0.00 C ATOM 422 O SER X 25 -4.760 -3.568 9.829 1.00 0.00 O ATOM 423 CB SER X 25 -4.459 -2.361 12.533 1.00 0.00 C ATOM 424 OG SER X 25 -3.458 -1.687 13.305 1.00 0.00 O ATOM 0 H SER X 25 -2.843 -3.287 10.354 1.00 0.00 H new ATOM 0 HA SER X 25 -3.889 -4.384 12.874 1.00 0.00 H new ATOM 0 HB2 SER X 25 -4.757 -1.736 11.691 1.00 0.00 H new ATOM 0 HB3 SER X 25 -5.348 -2.520 13.143 1.00 0.00 H new ATOM 0 HG SER X 25 -3.811 -0.830 13.622 1.00 0.00 H new ATOM 430 N SER X 26 -5.525 -5.281 11.018 1.00 0.00 N ATOM 431 CA SER X 26 -6.264 -5.606 9.859 1.00 0.00 C ATOM 432 C SER X 26 -7.675 -5.128 10.010 1.00 0.00 C ATOM 433 O SER X 26 -8.524 -5.737 10.670 1.00 0.00 O ATOM 434 CB SER X 26 -6.169 -7.107 9.578 1.00 0.00 C ATOM 435 OG SER X 26 -4.793 -7.495 9.445 1.00 0.00 O ATOM 0 H SER X 26 -5.612 -5.891 11.831 1.00 0.00 H new ATOM 0 HA SER X 26 -5.844 -5.098 8.991 1.00 0.00 H new ATOM 0 HB2 SER X 26 -6.637 -7.667 10.387 1.00 0.00 H new ATOM 0 HB3 SER X 26 -6.714 -7.350 8.666 1.00 0.00 H new ATOM 0 HG SER X 26 -4.710 -8.461 9.586 1.00 0.00 H new ATOM 441 N ASP X 27 -7.862 -3.970 9.464 1.00 0.00 N ATOM 442 CA ASP X 27 -9.106 -3.301 9.276 1.00 0.00 C ATOM 443 C ASP X 27 -9.069 -2.803 7.897 1.00 0.00 C ATOM 444 O ASP X 27 -8.435 -1.781 7.670 1.00 0.00 O ATOM 445 CB ASP X 27 -9.249 -2.142 10.238 1.00 0.00 C ATOM 446 CG ASP X 27 -9.204 -2.530 11.704 1.00 0.00 C ATOM 447 OD1 ASP X 27 -10.242 -2.952 12.267 1.00 0.00 O ATOM 448 OD2 ASP X 27 -8.150 -2.385 12.339 1.00 0.00 O ATOM 0 H ASP X 27 -7.079 -3.422 9.108 1.00 0.00 H new ATOM 0 HA ASP X 27 -9.949 -3.968 9.457 1.00 0.00 H new ATOM 0 HB2 ASP X 27 -8.454 -1.423 10.041 1.00 0.00 H new ATOM 0 HB3 ASP X 27 -10.193 -1.635 10.038 1.00 0.00 H new ATOM 453 N LEU X 28 -9.660 -3.500 6.964 1.00 0.00 N ATOM 454 CA LEU X 28 -9.580 -3.089 5.567 1.00 0.00 C ATOM 455 C LEU X 28 -10.040 -1.638 5.409 1.00 0.00 C ATOM 456 O LEU X 28 -9.358 -0.836 4.800 1.00 0.00 O ATOM 457 CB LEU X 28 -10.387 -4.036 4.668 1.00 0.00 C ATOM 458 CG LEU X 28 -10.291 -3.792 3.156 1.00 0.00 C ATOM 459 CD1 LEU X 28 -8.847 -3.908 2.679 1.00 0.00 C ATOM 460 CD2 LEU X 28 -11.169 -4.782 2.414 1.00 0.00 C ATOM 0 H LEU X 28 -10.200 -4.349 7.132 1.00 0.00 H new ATOM 0 HA LEU X 28 -8.539 -3.147 5.249 1.00 0.00 H new ATOM 0 HB2 LEU X 28 -10.063 -5.057 4.870 1.00 0.00 H new ATOM 0 HB3 LEU X 28 -11.436 -3.971 4.958 1.00 0.00 H new ATOM 0 HG LEU X 28 -10.639 -2.780 2.947 1.00 0.00 H new ATOM 0 HD11 LEU X 28 -8.804 -3.731 1.604 1.00 0.00 H new ATOM 0 HD12 LEU X 28 -8.233 -3.169 3.194 1.00 0.00 H new ATOM 0 HD13 LEU X 28 -8.471 -4.907 2.898 1.00 0.00 H new ATOM 0 HD21 LEU X 28 -11.095 -4.602 1.342 1.00 0.00 H new ATOM 0 HD22 LEU X 28 -10.840 -5.797 2.635 1.00 0.00 H new ATOM 0 HD23 LEU X 28 -12.204 -4.659 2.732 1.00 0.00 H new ATOM 472 N ASP X 29 -11.161 -1.321 6.008 1.00 0.00 N ATOM 473 CA ASP X 29 -11.710 0.037 6.010 1.00 0.00 C ATOM 474 C ASP X 29 -10.787 1.025 6.702 1.00 0.00 C ATOM 475 O ASP X 29 -10.463 2.094 6.159 1.00 0.00 O ATOM 476 CB ASP X 29 -13.043 0.059 6.709 1.00 0.00 C ATOM 477 CG ASP X 29 -14.101 -0.733 5.984 1.00 0.00 C ATOM 478 OD1 ASP X 29 -14.176 -1.968 6.165 1.00 0.00 O ATOM 479 OD2 ASP X 29 -14.861 -0.152 5.207 1.00 0.00 O ATOM 0 H ASP X 29 -11.733 -1.996 6.516 1.00 0.00 H new ATOM 0 HA ASP X 29 -11.820 0.334 4.967 1.00 0.00 H new ATOM 0 HB2 ASP X 29 -12.925 -0.340 7.717 1.00 0.00 H new ATOM 0 HB3 ASP X 29 -13.376 1.092 6.812 1.00 0.00 H new ATOM 484 N GLU X 30 -10.356 0.668 7.904 1.00 0.00 N ATOM 485 CA GLU X 30 -9.488 1.513 8.697 1.00 0.00 C ATOM 486 C GLU X 30 -8.186 1.794 8.035 1.00 0.00 C ATOM 487 O GLU X 30 -7.710 2.877 8.108 1.00 0.00 O ATOM 488 CB GLU X 30 -9.373 1.153 10.181 1.00 0.00 C ATOM 489 CG GLU X 30 -10.528 1.654 11.054 1.00 0.00 C ATOM 490 CD GLU X 30 -11.896 1.209 10.605 1.00 0.00 C ATOM 491 OE1 GLU X 30 -12.502 1.878 9.745 1.00 0.00 O ATOM 492 OE2 GLU X 30 -12.406 0.208 11.129 1.00 0.00 O ATOM 0 H GLU X 30 -10.600 -0.215 8.352 1.00 0.00 H new ATOM 0 HA GLU X 30 -10.018 2.465 8.733 1.00 0.00 H new ATOM 0 HB2 GLU X 30 -9.310 0.069 10.274 1.00 0.00 H new ATOM 0 HB3 GLU X 30 -8.440 1.561 10.568 1.00 0.00 H new ATOM 0 HG2 GLU X 30 -10.367 1.312 12.077 1.00 0.00 H new ATOM 0 HG3 GLU X 30 -10.504 2.744 11.074 1.00 0.00 H new ATOM 499 N CYS X 31 -7.625 0.820 7.385 1.00 0.00 N ATOM 500 CA CYS X 31 -6.338 1.011 6.704 1.00 0.00 C ATOM 501 C CYS X 31 -6.402 2.193 5.721 1.00 0.00 C ATOM 502 O CYS X 31 -5.461 2.974 5.639 1.00 0.00 O ATOM 503 CB CYS X 31 -5.843 -0.264 5.978 1.00 0.00 C ATOM 504 SG CYS X 31 -5.401 -1.694 7.034 1.00 0.00 S ATOM 0 H CYS X 31 -8.019 -0.117 7.300 1.00 0.00 H new ATOM 0 HA CYS X 31 -5.612 1.236 7.485 1.00 0.00 H new ATOM 0 HB2 CYS X 31 -6.619 -0.582 5.282 1.00 0.00 H new ATOM 0 HB3 CYS X 31 -4.970 0.001 5.382 1.00 0.00 H new ATOM 509 N LYS X 32 -7.509 2.330 4.981 1.00 0.00 N ATOM 510 CA LYS X 32 -7.627 3.447 4.017 1.00 0.00 C ATOM 511 C LYS X 32 -7.610 4.707 4.768 1.00 0.00 C ATOM 512 O LYS X 32 -6.892 5.643 4.424 1.00 0.00 O ATOM 513 CB LYS X 32 -8.903 3.424 3.135 1.00 0.00 C ATOM 514 CG LYS X 32 -8.958 2.356 2.070 1.00 0.00 C ATOM 515 CD LYS X 32 -8.740 1.006 2.635 1.00 0.00 C ATOM 516 CE LYS X 32 -8.810 -0.099 1.562 1.00 0.00 C ATOM 517 NZ LYS X 32 -10.078 -0.093 0.806 1.00 0.00 N ATOM 0 H LYS X 32 -8.316 1.707 5.022 1.00 0.00 H new ATOM 0 HA LYS X 32 -6.785 3.344 3.332 1.00 0.00 H new ATOM 0 HB2 LYS X 32 -9.768 3.302 3.787 1.00 0.00 H new ATOM 0 HB3 LYS X 32 -9.003 4.396 2.651 1.00 0.00 H new ATOM 0 HG2 LYS X 32 -9.927 2.389 1.571 1.00 0.00 H new ATOM 0 HG3 LYS X 32 -8.202 2.559 1.312 1.00 0.00 H new ATOM 0 HD2 LYS X 32 -7.766 0.973 3.124 1.00 0.00 H new ATOM 0 HD3 LYS X 32 -9.489 0.811 3.403 1.00 0.00 H new ATOM 0 HE2 LYS X 32 -7.979 0.024 0.867 1.00 0.00 H new ATOM 0 HE3 LYS X 32 -8.684 -1.070 2.040 1.00 0.00 H new ATOM 0 HZ1 LYS X 32 -10.138 -0.952 0.223 1.00 0.00 H new ATOM 0 HZ2 LYS X 32 -10.878 -0.068 1.470 1.00 0.00 H new ATOM 0 HZ3 LYS X 32 -10.112 0.746 0.192 1.00 0.00 H new ATOM 531 N LYS X 33 -8.383 4.692 5.841 1.00 0.00 N ATOM 532 CA LYS X 33 -8.556 5.822 6.666 1.00 0.00 C ATOM 533 C LYS X 33 -7.196 6.235 7.260 1.00 0.00 C ATOM 534 O LYS X 33 -6.818 7.398 7.185 1.00 0.00 O ATOM 535 CB LYS X 33 -9.640 5.568 7.751 1.00 0.00 C ATOM 536 CG LYS X 33 -9.081 5.269 9.106 1.00 0.00 C ATOM 537 CD LYS X 33 -10.151 5.216 10.178 1.00 0.00 C ATOM 538 CE LYS X 33 -9.541 5.078 11.568 1.00 0.00 C ATOM 539 NZ LYS X 33 -8.705 6.251 11.931 1.00 0.00 N ATOM 0 H LYS X 33 -8.905 3.871 6.147 1.00 0.00 H new ATOM 0 HA LYS X 33 -8.925 6.656 6.069 1.00 0.00 H new ATOM 0 HB2 LYS X 33 -10.284 6.445 7.820 1.00 0.00 H new ATOM 0 HB3 LYS X 33 -10.268 4.735 7.436 1.00 0.00 H new ATOM 0 HG2 LYS X 33 -8.555 4.315 9.076 1.00 0.00 H new ATOM 0 HG3 LYS X 33 -8.346 6.030 9.368 1.00 0.00 H new ATOM 0 HD2 LYS X 33 -10.757 6.121 10.134 1.00 0.00 H new ATOM 0 HD3 LYS X 33 -10.818 4.375 9.987 1.00 0.00 H new ATOM 0 HE2 LYS X 33 -10.337 4.960 12.303 1.00 0.00 H new ATOM 0 HE3 LYS X 33 -8.933 4.174 11.609 1.00 0.00 H new ATOM 0 HZ1 LYS X 33 -8.563 6.271 12.961 1.00 0.00 H new ATOM 0 HZ2 LYS X 33 -7.783 6.180 11.456 1.00 0.00 H new ATOM 0 HZ3 LYS X 33 -9.183 7.124 11.631 1.00 0.00 H new ATOM 553 N THR X 34 -6.445 5.244 7.796 1.00 0.00 N ATOM 554 CA THR X 34 -5.159 5.471 8.373 1.00 0.00 C ATOM 555 C THR X 34 -4.235 6.013 7.319 1.00 0.00 C ATOM 556 O THR X 34 -3.460 6.947 7.568 1.00 0.00 O ATOM 557 CB THR X 34 -4.584 4.186 8.990 1.00 0.00 C ATOM 558 OG1 THR X 34 -5.583 3.595 9.833 1.00 0.00 O ATOM 559 CG2 THR X 34 -3.367 4.517 9.838 1.00 0.00 C ATOM 0 H THR X 34 -6.743 4.269 7.826 1.00 0.00 H new ATOM 0 HA THR X 34 -5.260 6.197 9.179 1.00 0.00 H new ATOM 0 HB THR X 34 -4.296 3.500 8.194 1.00 0.00 H new ATOM 0 HG1 THR X 34 -6.277 3.183 9.278 1.00 0.00 H new ATOM 0 HG21 THR X 34 -2.966 3.601 10.272 1.00 0.00 H new ATOM 0 HG22 THR X 34 -2.606 4.987 9.215 1.00 0.00 H new ATOM 0 HG23 THR X 34 -3.655 5.201 10.637 1.00 0.00 H new ATOM 567 N CYS X 35 -4.312 5.430 6.138 1.00 0.00 N ATOM 568 CA CYS X 35 -3.508 5.890 5.071 1.00 0.00 C ATOM 569 C CYS X 35 -3.722 7.331 4.640 1.00 0.00 C ATOM 570 O CYS X 35 -2.747 8.042 4.384 1.00 0.00 O ATOM 571 CB CYS X 35 -3.249 4.867 3.992 1.00 0.00 C ATOM 572 SG CYS X 35 -2.220 3.555 4.599 1.00 0.00 S ATOM 0 H CYS X 35 -4.924 4.645 5.914 1.00 0.00 H new ATOM 0 HA CYS X 35 -2.519 5.991 5.518 1.00 0.00 H new ATOM 0 HB2 CYS X 35 -4.195 4.458 3.638 1.00 0.00 H new ATOM 0 HB3 CYS X 35 -2.769 5.346 3.138 1.00 0.00 H new ATOM 577 N PHE X 36 -4.983 7.784 4.580 1.00 0.00 N ATOM 578 CA PHE X 36 -5.237 9.197 4.263 1.00 0.00 C ATOM 579 C PHE X 36 -4.663 10.015 5.391 1.00 0.00 C ATOM 580 O PHE X 36 -4.163 11.118 5.187 1.00 0.00 O ATOM 581 CB PHE X 36 -6.727 9.586 4.260 1.00 0.00 C ATOM 582 CG PHE X 36 -7.682 8.693 3.575 1.00 0.00 C ATOM 583 CD1 PHE X 36 -7.518 8.332 2.263 1.00 0.00 C ATOM 584 CD2 PHE X 36 -8.773 8.213 4.269 1.00 0.00 C ATOM 585 CE1 PHE X 36 -8.428 7.501 1.662 1.00 0.00 C ATOM 586 CE2 PHE X 36 -9.678 7.385 3.673 1.00 0.00 C ATOM 587 CZ PHE X 36 -9.510 7.030 2.373 1.00 0.00 C ATOM 0 H PHE X 36 -5.815 7.217 4.740 1.00 0.00 H new ATOM 0 HA PHE X 36 -4.812 9.367 3.274 1.00 0.00 H new ATOM 0 HB2 PHE X 36 -7.047 9.683 5.297 1.00 0.00 H new ATOM 0 HB3 PHE X 36 -6.812 10.574 3.807 1.00 0.00 H new ATOM 0 HD1 PHE X 36 -6.672 8.702 1.703 1.00 0.00 H new ATOM 0 HD2 PHE X 36 -8.913 8.498 5.301 1.00 0.00 H new ATOM 0 HE1 PHE X 36 -8.296 7.215 0.629 1.00 0.00 H new ATOM 0 HE2 PHE X 36 -10.524 7.013 4.232 1.00 0.00 H new ATOM 0 HZ PHE X 36 -10.226 6.377 1.896 1.00 0.00 H new ATOM 597 N LYS X 37 -4.793 9.472 6.600 1.00 0.00 N ATOM 598 CA LYS X 37 -4.412 10.160 7.782 1.00 0.00 C ATOM 599 C LYS X 37 -2.986 10.685 7.863 1.00 0.00 C ATOM 600 O LYS X 37 -2.856 11.853 8.259 1.00 0.00 O ATOM 601 CB LYS X 37 -4.816 9.417 9.060 1.00 0.00 C ATOM 602 CG LYS X 37 -6.323 9.420 9.376 1.00 0.00 C ATOM 603 CD LYS X 37 -6.809 10.674 10.142 1.00 0.00 C ATOM 604 CE LYS X 37 -6.641 11.995 9.396 1.00 0.00 C ATOM 605 NZ LYS X 37 -7.403 12.057 8.136 1.00 0.00 N ATOM 0 H LYS X 37 -5.169 8.538 6.763 1.00 0.00 H new ATOM 0 HA LYS X 37 -5.004 11.072 7.702 1.00 0.00 H new ATOM 0 HB2 LYS X 37 -4.481 8.383 8.981 1.00 0.00 H new ATOM 0 HB3 LYS X 37 -4.284 9.861 9.902 1.00 0.00 H new ATOM 0 HG2 LYS X 37 -6.879 9.341 8.442 1.00 0.00 H new ATOM 0 HG3 LYS X 37 -6.561 8.534 9.964 1.00 0.00 H new ATOM 0 HD2 LYS X 37 -7.863 10.545 10.387 1.00 0.00 H new ATOM 0 HD3 LYS X 37 -6.268 10.736 11.086 1.00 0.00 H new ATOM 0 HE2 LYS X 37 -6.958 12.812 10.044 1.00 0.00 H new ATOM 0 HE3 LYS X 37 -5.584 12.150 9.181 1.00 0.00 H new ATOM 0 HZ1 LYS X 37 -7.180 12.943 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS X 37 -7.146 11.248 7.535 1.00 0.00 H new ATOM 0 HZ3 LYS X 37 -8.421 12.024 8.344 1.00 0.00 H new ATOM 619 N THR X 38 -1.870 9.896 7.611 1.00 0.00 N ATOM 620 CA THR X 38 -0.618 10.642 7.800 1.00 0.00 C ATOM 621 C THR X 38 -0.375 11.680 6.609 1.00 0.00 C ATOM 622 O THR X 38 -1.332 12.165 6.005 1.00 0.00 O ATOM 623 CB THR X 38 0.474 9.546 7.780 1.00 0.00 C ATOM 624 OG1 THR X 38 -0.065 8.383 8.435 1.00 0.00 O ATOM 625 CG2 THR X 38 1.705 9.968 8.553 1.00 0.00 C ATOM 0 H THR X 38 -1.826 8.917 7.327 1.00 0.00 H new ATOM 0 HA THR X 38 -0.624 11.229 8.718 1.00 0.00 H new ATOM 0 HB THR X 38 0.756 9.356 6.744 1.00 0.00 H new ATOM 0 HG1 THR X 38 0.605 7.668 8.437 1.00 0.00 H new ATOM 0 HG21 THR X 38 2.449 9.172 8.516 1.00 0.00 H new ATOM 0 HG22 THR X 38 2.120 10.873 8.110 1.00 0.00 H new ATOM 0 HG23 THR X 38 1.434 10.163 9.591 1.00 0.00 H new ATOM 633 N GLU X 39 0.873 12.002 6.228 1.00 0.00 N ATOM 634 CA GLU X 39 1.262 12.389 4.884 1.00 0.00 C ATOM 635 C GLU X 39 1.456 11.221 4.017 1.00 0.00 C ATOM 636 O GLU X 39 0.850 10.987 2.980 1.00 0.00 O ATOM 637 CB GLU X 39 2.474 13.337 4.824 1.00 0.00 C ATOM 638 CG GLU X 39 2.386 14.590 5.689 1.00 0.00 C ATOM 639 CD GLU X 39 2.775 14.367 7.134 1.00 0.00 C ATOM 640 OE1 GLU X 39 1.991 13.769 7.903 1.00 0.00 O ATOM 641 OE2 GLU X 39 3.877 14.795 7.516 1.00 0.00 O ATOM 0 H GLU X 39 1.658 11.996 6.879 1.00 0.00 H new ATOM 0 HA GLU X 39 0.420 12.966 4.501 1.00 0.00 H new ATOM 0 HB2 GLU X 39 3.362 12.778 5.118 1.00 0.00 H new ATOM 0 HB3 GLU X 39 2.619 13.644 3.788 1.00 0.00 H new ATOM 0 HG2 GLU X 39 3.031 15.359 5.264 1.00 0.00 H new ATOM 0 HG3 GLU X 39 1.366 14.974 5.653 1.00 0.00 H new ATOM 648 N TYR X 40 2.317 10.455 4.619 1.00 0.00 N ATOM 649 CA TYR X 40 3.111 9.432 4.067 1.00 0.00 C ATOM 650 C TYR X 40 2.392 8.286 3.530 1.00 0.00 C ATOM 651 O TYR X 40 2.921 7.627 2.643 1.00 0.00 O ATOM 652 CB TYR X 40 4.200 8.990 5.031 1.00 0.00 C ATOM 653 CG TYR X 40 5.100 10.109 5.537 1.00 0.00 C ATOM 654 CD1 TYR X 40 6.233 10.487 4.835 1.00 0.00 C ATOM 655 CD2 TYR X 40 4.821 10.771 6.726 1.00 0.00 C ATOM 656 CE1 TYR X 40 7.060 11.491 5.296 1.00 0.00 C ATOM 657 CE2 TYR X 40 5.642 11.775 7.196 1.00 0.00 C ATOM 658 CZ TYR X 40 6.759 12.131 6.477 1.00 0.00 C ATOM 659 OH TYR X 40 7.584 13.127 6.944 1.00 0.00 O ATOM 0 H TYR X 40 2.488 10.555 5.620 1.00 0.00 H new ATOM 0 HA TYR X 40 3.565 9.899 3.193 1.00 0.00 H new ATOM 0 HB2 TYR X 40 3.732 8.504 5.887 1.00 0.00 H new ATOM 0 HB3 TYR X 40 4.819 8.240 4.538 1.00 0.00 H new ATOM 0 HD1 TYR X 40 6.474 9.986 3.909 1.00 0.00 H new ATOM 0 HD2 TYR X 40 3.945 10.494 7.293 1.00 0.00 H new ATOM 0 HE1 TYR X 40 7.938 11.773 4.734 1.00 0.00 H new ATOM 0 HE2 TYR X 40 5.409 12.278 8.123 1.00 0.00 H new ATOM 0 HH TYR X 40 7.230 13.476 7.788 1.00 0.00 H new ATOM 669 N CYS X 41 1.250 7.949 4.088 1.00 0.00 N ATOM 670 CA CYS X 41 0.713 6.648 3.670 1.00 0.00 C ATOM 671 C CYS X 41 0.135 6.607 2.265 1.00 0.00 C ATOM 672 O CYS X 41 -1.037 6.903 2.025 1.00 0.00 O ATOM 673 CB CYS X 41 -0.179 5.917 4.647 1.00 0.00 C ATOM 674 SG CYS X 41 -0.348 4.140 4.151 1.00 0.00 S ATOM 0 H CYS X 41 0.710 8.486 4.767 1.00 0.00 H new ATOM 0 HA CYS X 41 1.639 6.073 3.660 1.00 0.00 H new ATOM 0 HB2 CYS X 41 0.238 5.984 5.652 1.00 0.00 H new ATOM 0 HB3 CYS X 41 -1.161 6.389 4.678 1.00 0.00 H new ATOM 679 N TYR X 42 1.008 6.294 1.350 1.00 0.00 N ATOM 680 CA TYR X 42 0.687 6.051 -0.019 1.00 0.00 C ATOM 681 C TYR X 42 1.271 4.727 -0.474 1.00 0.00 C ATOM 682 O TYR X 42 1.275 4.423 -1.675 1.00 0.00 O ATOM 683 CB TYR X 42 1.116 7.213 -0.942 1.00 0.00 C ATOM 684 CG TYR X 42 2.407 7.909 -0.579 1.00 0.00 C ATOM 685 CD1 TYR X 42 3.612 7.227 -0.474 1.00 0.00 C ATOM 686 CD2 TYR X 42 2.409 9.269 -0.325 1.00 0.00 C ATOM 687 CE1 TYR X 42 4.757 7.885 -0.133 1.00 0.00 C ATOM 688 CE2 TYR X 42 3.557 9.930 0.020 1.00 0.00 C ATOM 689 CZ TYR X 42 4.728 9.233 0.112 1.00 0.00 C ATOM 690 OH TYR X 42 5.878 9.877 0.471 1.00 0.00 O ATOM 0 H TYR X 42 2.003 6.198 1.551 1.00 0.00 H new ATOM 0 HA TYR X 42 -0.399 5.990 -0.095 1.00 0.00 H new ATOM 0 HB2 TYR X 42 1.208 6.828 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR X 42 0.318 7.955 -0.953 1.00 0.00 H new ATOM 0 HD1 TYR X 42 3.643 6.164 -0.664 1.00 0.00 H new ATOM 0 HD2 TYR X 42 1.484 9.822 -0.401 1.00 0.00 H new ATOM 0 HE1 TYR X 42 5.688 7.343 -0.056 1.00 0.00 H new ATOM 0 HE2 TYR X 42 3.537 10.992 0.217 1.00 0.00 H new ATOM 0 HH TYR X 42 5.691 10.829 0.608 1.00 0.00 H new ATOM 700 N ILE X 43 1.780 3.930 0.483 1.00 0.00 N ATOM 701 CA ILE X 43 2.229 2.584 0.138 1.00 0.00 C ATOM 702 C ILE X 43 1.536 1.661 1.072 1.00 0.00 C ATOM 703 O ILE X 43 1.432 1.953 2.248 1.00 0.00 O ATOM 704 CB ILE X 43 3.778 2.344 0.270 1.00 0.00 C ATOM 705 CG1 ILE X 43 4.589 3.266 -0.629 1.00 0.00 C ATOM 706 CG2 ILE X 43 4.134 0.882 -0.021 1.00 0.00 C ATOM 707 CD1 ILE X 43 4.448 2.979 -2.082 1.00 0.00 C ATOM 0 H ILE X 43 1.886 4.188 1.464 1.00 0.00 H new ATOM 0 HA ILE X 43 1.996 2.420 -0.914 1.00 0.00 H new ATOM 0 HB ILE X 43 4.040 2.577 1.302 1.00 0.00 H new ATOM 0 HG12 ILE X 43 4.286 4.296 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE X 43 5.641 3.189 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE X 43 5.211 0.743 0.077 1.00 0.00 H new ATOM 0 HG22 ILE X 43 3.618 0.234 0.688 1.00 0.00 H new ATOM 0 HG23 ILE X 43 3.826 0.628 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE X 43 5.057 3.680 -2.652 1.00 0.00 H new ATOM 0 HD12 ILE X 43 4.780 1.961 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE X 43 3.403 3.085 -2.374 1.00 0.00 H new ATOM 719 N VAL X 44 1.021 0.609 0.580 1.00 0.00 N ATOM 720 CA VAL X 44 0.400 -0.358 1.414 1.00 0.00 C ATOM 721 C VAL X 44 0.880 -1.720 0.934 1.00 0.00 C ATOM 722 O VAL X 44 1.190 -1.890 -0.266 1.00 0.00 O ATOM 723 CB VAL X 44 -1.150 -0.294 1.317 1.00 0.00 C ATOM 724 CG1 VAL X 44 -1.853 -1.192 2.325 1.00 0.00 C ATOM 725 CG2 VAL X 44 -1.722 1.128 1.326 1.00 0.00 C ATOM 0 H VAL X 44 1.013 0.384 -0.415 1.00 0.00 H new ATOM 0 HA VAL X 44 0.664 -0.172 2.455 1.00 0.00 H new ATOM 0 HB VAL X 44 -1.370 -0.696 0.328 1.00 0.00 H new ATOM 0 HG11 VAL X 44 -2.932 -1.100 2.204 1.00 0.00 H new ATOM 0 HG12 VAL X 44 -1.556 -2.228 2.159 1.00 0.00 H new ATOM 0 HG13 VAL X 44 -1.575 -0.892 3.335 1.00 0.00 H new ATOM 0 HG21 VAL X 44 -2.809 1.083 1.255 1.00 0.00 H new ATOM 0 HG22 VAL X 44 -1.439 1.628 2.252 1.00 0.00 H new ATOM 0 HG23 VAL X 44 -1.326 1.685 0.477 1.00 0.00 H new ATOM 735 N PHE X 45 1.026 -2.645 1.839 1.00 0.00 N ATOM 736 CA PHE X 45 1.358 -3.994 1.491 1.00 0.00 C ATOM 737 C PHE X 45 0.366 -4.886 2.157 1.00 0.00 C ATOM 738 O PHE X 45 0.127 -4.767 3.362 1.00 0.00 O ATOM 739 CB PHE X 45 2.777 -4.387 1.956 1.00 0.00 C ATOM 740 CG PHE X 45 3.891 -3.640 1.287 1.00 0.00 C ATOM 741 CD1 PHE X 45 4.017 -3.660 -0.082 1.00 0.00 C ATOM 742 CD2 PHE X 45 4.811 -2.919 2.021 1.00 0.00 C ATOM 743 CE1 PHE X 45 5.034 -2.980 -0.704 1.00 0.00 C ATOM 744 CE2 PHE X 45 5.825 -2.242 1.396 1.00 0.00 C ATOM 745 CZ PHE X 45 5.938 -2.271 0.037 1.00 0.00 C ATOM 0 H PHE X 45 0.918 -2.483 2.840 1.00 0.00 H new ATOM 0 HA PHE X 45 1.334 -4.092 0.406 1.00 0.00 H new ATOM 0 HB2 PHE X 45 2.848 -4.228 3.032 1.00 0.00 H new ATOM 0 HB3 PHE X 45 2.918 -5.454 1.781 1.00 0.00 H new ATOM 0 HD1 PHE X 45 3.307 -4.218 -0.675 1.00 0.00 H new ATOM 0 HD2 PHE X 45 4.731 -2.888 3.098 1.00 0.00 H new ATOM 0 HE1 PHE X 45 5.120 -3.005 -1.780 1.00 0.00 H new ATOM 0 HE2 PHE X 45 6.539 -1.682 1.982 1.00 0.00 H new ATOM 0 HZ PHE X 45 6.739 -1.736 -0.452 1.00 0.00 H new ATOM 755 N GLU X 46 -0.197 -5.785 1.432 1.00 0.00 N ATOM 756 CA GLU X 46 -1.159 -6.671 2.054 1.00 0.00 C ATOM 757 C GLU X 46 -0.742 -8.085 1.873 1.00 0.00 C ATOM 758 O GLU X 46 -0.234 -8.438 0.829 1.00 0.00 O ATOM 759 CB GLU X 46 -2.546 -6.484 1.498 1.00 0.00 C ATOM 760 CG GLU X 46 -3.100 -5.080 1.583 1.00 0.00 C ATOM 761 CD GLU X 46 -4.519 -5.070 1.143 1.00 0.00 C ATOM 762 OE1 GLU X 46 -4.763 -5.210 -0.065 1.00 0.00 O ATOM 763 OE2 GLU X 46 -5.424 -5.028 1.991 1.00 0.00 O ATOM 0 H GLU X 46 -0.027 -5.938 0.438 1.00 0.00 H new ATOM 0 HA GLU X 46 -1.187 -6.422 3.115 1.00 0.00 H new ATOM 0 HB2 GLU X 46 -2.543 -6.792 0.452 1.00 0.00 H new ATOM 0 HB3 GLU X 46 -3.223 -7.155 2.026 1.00 0.00 H new ATOM 0 HG2 GLU X 46 -3.025 -4.711 2.606 1.00 0.00 H new ATOM 0 HG3 GLU X 46 -2.511 -4.409 0.958 1.00 0.00 H new ATOM 770 N ASP X 47 -0.924 -8.882 2.886 1.00 0.00 N ATOM 771 CA ASP X 47 -0.564 -10.284 2.802 1.00 0.00 C ATOM 772 C ASP X 47 -1.775 -11.026 2.317 1.00 0.00 C ATOM 773 O ASP X 47 -2.809 -10.990 2.975 1.00 0.00 O ATOM 774 CB ASP X 47 -0.124 -10.829 4.166 1.00 0.00 C ATOM 775 CG ASP X 47 0.367 -12.267 4.099 1.00 0.00 C ATOM 776 OD1 ASP X 47 -0.440 -13.157 3.850 1.00 0.00 O ATOM 777 OD2 ASP X 47 1.546 -12.528 4.369 1.00 0.00 O ATOM 0 H ASP X 47 -1.318 -8.594 3.782 1.00 0.00 H new ATOM 0 HA ASP X 47 0.276 -10.412 2.119 1.00 0.00 H new ATOM 0 HB2 ASP X 47 0.670 -10.198 4.565 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -0.960 -10.768 4.863 1.00 0.00 H new ATOM 782 N THR X 48 -1.658 -11.679 1.193 1.00 0.00 N ATOM 783 CA THR X 48 -2.782 -12.351 0.558 1.00 0.00 C ATOM 784 C THR X 48 -3.104 -13.678 1.255 1.00 0.00 C ATOM 785 O THR X 48 -4.234 -14.158 1.220 1.00 0.00 O ATOM 786 CB THR X 48 -2.439 -12.641 -0.915 1.00 0.00 C ATOM 787 OG1 THR X 48 -1.848 -11.474 -1.488 1.00 0.00 O ATOM 788 CG2 THR X 48 -3.690 -13.002 -1.712 1.00 0.00 C ATOM 0 H THR X 48 -0.780 -11.766 0.681 1.00 0.00 H new ATOM 0 HA THR X 48 -3.650 -11.696 0.631 1.00 0.00 H new ATOM 0 HB THR X 48 -1.750 -13.485 -0.951 1.00 0.00 H new ATOM 0 HG1 THR X 48 -1.624 -11.648 -2.426 1.00 0.00 H new ATOM 0 HG21 THR X 48 -3.416 -13.201 -2.748 1.00 0.00 H new ATOM 0 HG22 THR X 48 -4.152 -13.890 -1.281 1.00 0.00 H new ATOM 0 HG23 THR X 48 -4.396 -12.172 -1.676 1.00 0.00 H new ATOM 796 N VAL X 49 -2.125 -14.234 1.917 1.00 0.00 N ATOM 797 CA VAL X 49 -2.243 -15.547 2.524 1.00 0.00 C ATOM 798 C VAL X 49 -2.980 -15.430 3.846 1.00 0.00 C ATOM 799 O VAL X 49 -3.891 -16.192 4.164 1.00 0.00 O ATOM 800 CB VAL X 49 -0.831 -16.164 2.769 1.00 0.00 C ATOM 801 CG1 VAL X 49 -0.927 -17.556 3.367 1.00 0.00 C ATOM 802 CG2 VAL X 49 -0.015 -16.191 1.480 1.00 0.00 C ATOM 0 H VAL X 49 -1.216 -13.793 2.055 1.00 0.00 H new ATOM 0 HA VAL X 49 -2.798 -16.197 1.848 1.00 0.00 H new ATOM 0 HB VAL X 49 -0.318 -15.526 3.488 1.00 0.00 H new ATOM 0 HG11 VAL X 49 0.075 -17.954 3.524 1.00 0.00 H new ATOM 0 HG12 VAL X 49 -1.451 -17.507 4.321 1.00 0.00 H new ATOM 0 HG13 VAL X 49 -1.474 -18.208 2.686 1.00 0.00 H new ATOM 0 HG21 VAL X 49 0.965 -16.626 1.679 1.00 0.00 H new ATOM 0 HG22 VAL X 49 -0.534 -16.792 0.733 1.00 0.00 H new ATOM 0 HG23 VAL X 49 0.108 -15.175 1.106 1.00 0.00 H new ATOM 812 N ASN X 50 -2.578 -14.454 4.580 1.00 0.00 N ATOM 813 CA ASN X 50 -3.069 -14.186 5.910 1.00 0.00 C ATOM 814 C ASN X 50 -4.170 -13.157 5.901 1.00 0.00 C ATOM 815 O ASN X 50 -4.904 -13.034 6.872 1.00 0.00 O ATOM 816 CB ASN X 50 -1.910 -13.693 6.768 1.00 0.00 C ATOM 817 CG ASN X 50 -0.840 -14.743 6.957 1.00 0.00 C ATOM 818 OD1 ASN X 50 0.105 -14.786 6.058 1.00 0.00 O flip ATOM 819 ND2 ASN X 50 -0.875 -15.525 7.910 1.00 0.00 N flip ATOM 0 H ASN X 50 -1.871 -13.787 4.270 1.00 0.00 H new ATOM 0 HA ASN X 50 -3.484 -15.107 6.319 1.00 0.00 H new ATOM 0 HB2 ASN X 50 -1.470 -12.810 6.305 1.00 0.00 H new ATOM 0 HB3 ASN X 50 -2.289 -13.386 7.743 1.00 0.00 H new ATOM 0 HD21 ASN X 50 -1.629 -15.462 8.594 1.00 0.00 H new ATOM 0 HD22 ASN X 50 -0.150 -16.235 8.014 1.00 0.00 H new ATOM 826 N LYS X 51 -4.290 -12.429 4.786 1.00 0.00 N ATOM 827 CA LYS X 51 -5.284 -11.341 4.635 1.00 0.00 C ATOM 828 C LYS X 51 -5.001 -10.232 5.651 1.00 0.00 C ATOM 829 O LYS X 51 -5.916 -9.608 6.203 1.00 0.00 O ATOM 830 CB LYS X 51 -6.762 -11.839 4.734 1.00 0.00 C ATOM 831 CG LYS X 51 -7.276 -12.665 3.530 1.00 0.00 C ATOM 832 CD LYS X 51 -6.608 -14.034 3.391 1.00 0.00 C ATOM 833 CE LYS X 51 -6.993 -14.990 4.518 1.00 0.00 C ATOM 834 NZ LYS X 51 -8.421 -15.355 4.468 1.00 0.00 N ATOM 0 H LYS X 51 -3.707 -12.570 3.961 1.00 0.00 H new ATOM 0 HA LYS X 51 -5.175 -10.942 3.627 1.00 0.00 H new ATOM 0 HB2 LYS X 51 -6.862 -12.444 5.635 1.00 0.00 H new ATOM 0 HB3 LYS X 51 -7.410 -10.972 4.859 1.00 0.00 H new ATOM 0 HG2 LYS X 51 -8.352 -12.805 3.630 1.00 0.00 H new ATOM 0 HG3 LYS X 51 -7.112 -12.096 2.615 1.00 0.00 H new ATOM 0 HD2 LYS X 51 -6.886 -14.475 2.434 1.00 0.00 H new ATOM 0 HD3 LYS X 51 -5.525 -13.907 3.381 1.00 0.00 H new ATOM 0 HE2 LYS X 51 -6.385 -15.893 4.451 1.00 0.00 H new ATOM 0 HE3 LYS X 51 -6.771 -14.526 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 -8.599 -16.151 5.113 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 -8.998 -14.540 4.758 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 -8.675 -15.632 3.498 1.00 0.00 H new ATOM 848 N GLU X 52 -3.726 -9.964 5.848 1.00 0.00 N ATOM 849 CA GLU X 52 -3.285 -8.972 6.821 1.00 0.00 C ATOM 850 C GLU X 52 -3.001 -7.642 6.135 1.00 0.00 C ATOM 851 O GLU X 52 -2.824 -7.602 4.905 1.00 0.00 O ATOM 852 CB GLU X 52 -2.080 -9.482 7.633 1.00 0.00 C ATOM 853 CG GLU X 52 -2.430 -10.659 8.520 1.00 0.00 C ATOM 854 CD GLU X 52 -1.290 -11.101 9.407 1.00 0.00 C ATOM 855 OE1 GLU X 52 -1.156 -10.585 10.540 1.00 0.00 O ATOM 856 OE2 GLU X 52 -0.524 -11.982 9.014 1.00 0.00 O ATOM 0 H GLU X 52 -2.967 -10.422 5.344 1.00 0.00 H new ATOM 0 HA GLU X 52 -4.091 -8.804 7.535 1.00 0.00 H new ATOM 0 HB2 GLU X 52 -1.282 -9.772 6.949 1.00 0.00 H new ATOM 0 HB3 GLU X 52 -1.692 -8.671 8.249 1.00 0.00 H new ATOM 0 HG2 GLU X 52 -3.284 -10.394 9.143 1.00 0.00 H new ATOM 0 HG3 GLU X 52 -2.740 -11.496 7.895 1.00 0.00 H new ATOM 863 N CYS X 53 -2.934 -6.564 6.894 1.00 0.00 N ATOM 864 CA CYS X 53 -2.817 -5.262 6.305 1.00 0.00 C ATOM 865 C CYS X 53 -1.645 -4.537 6.895 1.00 0.00 C ATOM 866 O CYS X 53 -1.582 -4.343 8.101 1.00 0.00 O ATOM 867 CB CYS X 53 -4.118 -4.453 6.548 1.00 0.00 C ATOM 868 SG CYS X 53 -4.111 -2.759 5.853 1.00 0.00 S ATOM 0 H CYS X 53 -2.959 -6.573 7.914 1.00 0.00 H new ATOM 0 HA CYS X 53 -2.662 -5.370 5.232 1.00 0.00 H new ATOM 0 HB2 CYS X 53 -4.956 -5.003 6.120 1.00 0.00 H new ATOM 0 HB3 CYS X 53 -4.294 -4.389 7.622 1.00 0.00 H new ATOM 873 N TYR X 54 -0.704 -4.168 6.067 1.00 0.00 N ATOM 874 CA TYR X 54 0.392 -3.363 6.509 1.00 0.00 C ATOM 875 C TYR X 54 0.360 -2.121 5.695 1.00 0.00 C ATOM 876 O TYR X 54 0.368 -2.167 4.474 1.00 0.00 O ATOM 877 CB TYR X 54 1.747 -4.065 6.288 1.00 0.00 C ATOM 878 CG TYR X 54 2.026 -5.265 7.167 1.00 0.00 C ATOM 879 CD1 TYR X 54 1.372 -6.466 6.968 1.00 0.00 C ATOM 880 CD2 TYR X 54 2.963 -5.189 8.191 1.00 0.00 C ATOM 881 CE1 TYR X 54 1.636 -7.563 7.759 1.00 0.00 C ATOM 882 CE2 TYR X 54 3.235 -6.281 8.990 1.00 0.00 C ATOM 883 CZ TYR X 54 2.569 -7.466 8.767 1.00 0.00 C ATOM 884 OH TYR X 54 2.820 -8.558 9.571 1.00 0.00 O ATOM 0 H TYR X 54 -0.679 -4.416 5.078 1.00 0.00 H new ATOM 0 HA TYR X 54 0.295 -3.169 7.577 1.00 0.00 H new ATOM 0 HB2 TYR X 54 1.803 -4.382 5.247 1.00 0.00 H new ATOM 0 HB3 TYR X 54 2.541 -3.335 6.442 1.00 0.00 H new ATOM 0 HD1 TYR X 54 0.640 -6.546 6.178 1.00 0.00 H new ATOM 0 HD2 TYR X 54 3.487 -4.260 8.364 1.00 0.00 H new ATOM 0 HE1 TYR X 54 1.114 -8.493 7.589 1.00 0.00 H new ATOM 0 HE2 TYR X 54 3.964 -6.207 9.783 1.00 0.00 H new ATOM 0 HH TYR X 54 3.505 -8.326 10.233 1.00 0.00 H new ATOM 894 N TYR X 55 0.366 -1.039 6.340 1.00 0.00 N ATOM 895 CA TYR X 55 0.302 0.211 5.662 1.00 0.00 C ATOM 896 C TYR X 55 1.561 1.008 5.923 1.00 0.00 C ATOM 897 O TYR X 55 2.035 1.086 7.078 1.00 0.00 O ATOM 898 CB TYR X 55 -1.043 0.947 5.979 1.00 0.00 C ATOM 899 CG TYR X 55 -1.429 0.978 7.452 1.00 0.00 C ATOM 900 CD1 TYR X 55 -0.857 1.875 8.336 1.00 0.00 C ATOM 901 CD2 TYR X 55 -2.383 0.090 7.945 1.00 0.00 C ATOM 902 CE1 TYR X 55 -1.218 1.886 9.670 1.00 0.00 C ATOM 903 CE2 TYR X 55 -2.750 0.095 9.275 1.00 0.00 C ATOM 904 CZ TYR X 55 -2.165 0.992 10.135 1.00 0.00 C ATOM 905 OH TYR X 55 -2.528 1.006 11.469 1.00 0.00 O ATOM 0 H TYR X 55 0.415 -0.974 7.357 1.00 0.00 H new ATOM 0 HA TYR X 55 0.279 0.060 4.583 1.00 0.00 H new ATOM 0 HB2 TYR X 55 -0.973 1.972 5.616 1.00 0.00 H new ATOM 0 HB3 TYR X 55 -1.844 0.465 5.419 1.00 0.00 H new ATOM 0 HD1 TYR X 55 -0.118 2.577 7.979 1.00 0.00 H new ATOM 0 HD2 TYR X 55 -2.845 -0.617 7.272 1.00 0.00 H new ATOM 0 HE1 TYR X 55 -0.761 2.592 10.348 1.00 0.00 H new ATOM 0 HE2 TYR X 55 -3.492 -0.601 9.637 1.00 0.00 H new ATOM 0 HH TYR X 55 -3.205 0.316 11.631 1.00 0.00 H new ATOM 915 N ASN X 56 2.160 1.488 4.846 1.00 0.00 N ATOM 916 CA ASN X 56 3.431 2.258 4.921 1.00 0.00 C ATOM 917 C ASN X 56 3.201 3.615 5.446 1.00 0.00 C ATOM 918 O ASN X 56 2.569 4.449 4.754 1.00 0.00 O ATOM 919 CB ASN X 56 4.073 2.389 3.570 1.00 0.00 C ATOM 920 CG ASN X 56 5.231 3.383 3.540 1.00 0.00 C ATOM 921 OD1 ASN X 56 5.273 4.170 2.505 1.00 0.00 O flip ATOM 922 ND2 ASN X 56 6.019 3.485 4.477 1.00 0.00 N flip ATOM 0 H ASN X 56 1.801 1.368 3.899 1.00 0.00 H new ATOM 0 HA ASN X 56 4.089 1.704 5.591 1.00 0.00 H new ATOM 0 HB2 ASN X 56 4.435 1.411 3.252 1.00 0.00 H new ATOM 0 HB3 ASN X 56 3.319 2.700 2.847 1.00 0.00 H new ATOM 0 HD21 ASN X 56 5.953 2.848 5.271 1.00 0.00 H new ATOM 0 HD22 ASN X 56 6.739 4.207 4.461 1.00 0.00 H new ATOM 929 N VAL X 57 3.840 3.885 6.584 1.00 0.00 N ATOM 930 CA VAL X 57 3.584 5.130 7.310 1.00 0.00 C ATOM 931 C VAL X 57 4.712 6.133 7.155 1.00 0.00 C ATOM 932 O VAL X 57 4.653 7.252 7.704 1.00 0.00 O ATOM 933 CB VAL X 57 3.288 4.900 8.823 1.00 0.00 C ATOM 934 CG1 VAL X 57 2.048 4.048 9.008 1.00 0.00 C ATOM 935 CG2 VAL X 57 4.480 4.272 9.534 1.00 0.00 C ATOM 0 H VAL X 57 4.528 3.270 7.018 1.00 0.00 H new ATOM 0 HA VAL X 57 2.687 5.545 6.851 1.00 0.00 H new ATOM 0 HB VAL X 57 3.106 5.876 9.274 1.00 0.00 H new ATOM 0 HG11 VAL X 57 1.862 3.902 10.072 1.00 0.00 H new ATOM 0 HG12 VAL X 57 1.192 4.549 8.556 1.00 0.00 H new ATOM 0 HG13 VAL X 57 2.197 3.080 8.529 1.00 0.00 H new ATOM 0 HG21 VAL X 57 4.240 4.125 10.587 1.00 0.00 H new ATOM 0 HG22 VAL X 57 4.711 3.310 9.077 1.00 0.00 H new ATOM 0 HG23 VAL X 57 5.344 4.931 9.447 1.00 0.00 H new ATOM 945 N VAL X 58 5.728 5.755 6.420 1.00 0.00 N ATOM 946 CA VAL X 58 6.860 6.639 6.188 1.00 0.00 C ATOM 947 C VAL X 58 6.927 6.914 4.686 1.00 0.00 C ATOM 948 O VAL X 58 6.010 6.544 3.950 1.00 0.00 O ATOM 949 CB VAL X 58 8.204 6.033 6.775 1.00 0.00 C ATOM 950 CG1 VAL X 58 9.365 7.045 6.844 1.00 0.00 C ATOM 951 CG2 VAL X 58 7.968 5.461 8.151 1.00 0.00 C ATOM 0 H VAL X 58 5.801 4.843 5.969 1.00 0.00 H new ATOM 0 HA VAL X 58 6.729 7.583 6.717 1.00 0.00 H new ATOM 0 HB VAL X 58 8.501 5.250 6.078 1.00 0.00 H new ATOM 0 HG11 VAL X 58 10.249 6.557 7.255 1.00 0.00 H new ATOM 0 HG12 VAL X 58 9.587 7.413 5.842 1.00 0.00 H new ATOM 0 HG13 VAL X 58 9.081 7.881 7.483 1.00 0.00 H new ATOM 0 HG21 VAL X 58 8.900 5.050 8.539 1.00 0.00 H new ATOM 0 HG22 VAL X 58 7.614 6.248 8.817 1.00 0.00 H new ATOM 0 HG23 VAL X 58 7.219 4.671 8.093 1.00 0.00 H new ATOM 961 N ASP X 59 7.936 7.593 4.245 1.00 0.00 N ATOM 962 CA ASP X 59 8.064 7.984 2.864 1.00 0.00 C ATOM 963 C ASP X 59 8.274 6.765 2.010 1.00 0.00 C ATOM 964 O ASP X 59 9.315 6.113 2.049 1.00 0.00 O ATOM 965 CB ASP X 59 9.204 8.971 2.659 1.00 0.00 C ATOM 966 CG ASP X 59 9.196 9.593 1.277 1.00 0.00 C ATOM 967 OD1 ASP X 59 9.474 8.894 0.273 1.00 0.00 O ATOM 968 OD2 ASP X 59 8.897 10.808 1.177 1.00 0.00 O ATOM 0 H ASP X 59 8.709 7.900 4.836 1.00 0.00 H new ATOM 0 HA ASP X 59 7.141 8.484 2.569 1.00 0.00 H new ATOM 0 HB2 ASP X 59 9.136 9.760 3.408 1.00 0.00 H new ATOM 0 HB3 ASP X 59 10.154 8.461 2.818 1.00 0.00 H new ATOM 973 N GLY X 60 7.276 6.463 1.286 1.00 0.00 N ATOM 974 CA GLY X 60 7.268 5.336 0.449 1.00 0.00 C ATOM 975 C GLY X 60 7.430 5.711 -0.976 1.00 0.00 C ATOM 976 O GLY X 60 7.275 4.883 -1.846 1.00 0.00 O ATOM 0 H GLY X 60 6.415 7.009 1.257 1.00 0.00 H new ATOM 0 HA2 GLY X 60 8.072 4.660 0.741 1.00 0.00 H new ATOM 0 HA3 GLY X 60 6.332 4.793 0.578 1.00 0.00 H new ATOM 980 N GLU X 61 7.728 6.976 -1.233 1.00 0.00 N ATOM 981 CA GLU X 61 8.092 7.379 -2.571 1.00 0.00 C ATOM 982 C GLU X 61 9.447 6.770 -2.821 1.00 0.00 C ATOM 983 O GLU X 61 9.798 6.391 -3.935 1.00 0.00 O ATOM 984 CB GLU X 61 8.141 8.891 -2.708 1.00 0.00 C ATOM 985 CG GLU X 61 8.568 9.378 -4.083 1.00 0.00 C ATOM 986 CD GLU X 61 7.648 8.903 -5.176 1.00 0.00 C ATOM 987 OE1 GLU X 61 6.547 9.444 -5.291 1.00 0.00 O ATOM 988 OE2 GLU X 61 8.006 7.979 -5.943 1.00 0.00 O ATOM 0 H GLU X 61 7.724 7.726 -0.541 1.00 0.00 H new ATOM 0 HA GLU X 61 7.354 7.040 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU X 61 7.155 9.297 -2.481 1.00 0.00 H new ATOM 0 HB3 GLU X 61 8.830 9.290 -1.963 1.00 0.00 H new ATOM 0 HG2 GLU X 61 8.597 10.468 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU X 61 9.581 9.031 -4.289 1.00 0.00 H new ATOM 995 N GLU X 62 10.191 6.640 -1.725 1.00 0.00 N ATOM 996 CA GLU X 62 11.438 5.937 -1.722 1.00 0.00 C ATOM 997 C GLU X 62 11.243 4.468 -2.040 1.00 0.00 C ATOM 998 O GLU X 62 12.207 3.772 -2.371 1.00 0.00 O ATOM 999 CB GLU X 62 12.192 6.109 -0.409 1.00 0.00 C ATOM 1000 CG GLU X 62 12.700 7.511 -0.179 1.00 0.00 C ATOM 1001 CD GLU X 62 13.576 7.975 -1.316 1.00 0.00 C ATOM 1002 OE1 GLU X 62 14.740 7.539 -1.405 1.00 0.00 O ATOM 1003 OE2 GLU X 62 13.107 8.764 -2.156 1.00 0.00 O ATOM 0 H GLU X 62 9.930 7.027 -0.818 1.00 0.00 H new ATOM 0 HA GLU X 62 12.049 6.379 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU X 62 11.536 5.830 0.415 1.00 0.00 H new ATOM 0 HB3 GLU X 62 13.036 5.419 -0.392 1.00 0.00 H new ATOM 0 HG2 GLU X 62 11.856 8.191 -0.068 1.00 0.00 H new ATOM 0 HG3 GLU X 62 13.263 7.547 0.754 1.00 0.00 H new ATOM 1010 N LEU X 63 10.018 3.964 -1.922 1.00 0.00 N ATOM 1011 CA LEU X 63 9.796 2.623 -2.335 1.00 0.00 C ATOM 1012 C LEU X 63 9.571 2.658 -3.815 1.00 0.00 C ATOM 1013 O LEU X 63 8.529 3.109 -4.293 1.00 0.00 O ATOM 1014 CB LEU X 63 8.650 1.973 -1.559 1.00 0.00 C ATOM 1015 CG LEU X 63 8.907 1.845 -0.049 1.00 0.00 C ATOM 1016 CD1 LEU X 63 7.725 1.224 0.660 1.00 0.00 C ATOM 1017 CD2 LEU X 63 10.168 1.039 0.220 1.00 0.00 C ATOM 0 H LEU X 63 9.205 4.459 -1.555 1.00 0.00 H new ATOM 0 HA LEU X 63 10.658 1.994 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU X 63 7.743 2.558 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU X 63 8.464 0.981 -1.970 1.00 0.00 H new ATOM 0 HG LEU X 63 9.048 2.851 0.346 1.00 0.00 H new ATOM 0 HD11 LEU X 63 7.939 1.148 1.726 1.00 0.00 H new ATOM 0 HD12 LEU X 63 6.843 1.847 0.511 1.00 0.00 H new ATOM 0 HD13 LEU X 63 7.539 0.229 0.255 1.00 0.00 H new ATOM 0 HD21 LEU X 63 10.328 0.962 1.295 1.00 0.00 H new ATOM 0 HD22 LEU X 63 10.058 0.040 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU X 63 11.022 1.536 -0.240 1.00 0.00 H new ATOM 1029 N ASP X 64 10.574 2.261 -4.542 1.00 0.00 N ATOM 1030 CA ASP X 64 10.524 2.360 -5.965 1.00 0.00 C ATOM 1031 C ASP X 64 9.989 1.078 -6.556 1.00 0.00 C ATOM 1032 O ASP X 64 10.655 0.032 -6.554 1.00 0.00 O ATOM 1033 CB ASP X 64 11.884 2.723 -6.538 1.00 0.00 C ATOM 1034 CG ASP X 64 11.797 3.252 -7.953 1.00 0.00 C ATOM 1035 OD1 ASP X 64 10.840 2.941 -8.675 1.00 0.00 O ATOM 1036 OD2 ASP X 64 12.704 3.994 -8.381 1.00 0.00 O ATOM 0 H ASP X 64 11.437 1.865 -4.169 1.00 0.00 H new ATOM 0 HA ASP X 64 9.842 3.166 -6.236 1.00 0.00 H new ATOM 0 HB2 ASP X 64 12.354 3.473 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP X 64 12.527 1.843 -6.522 1.00 0.00 H new ATOM 1041 N GLN X 65 8.820 1.217 -7.089 1.00 0.00 N ATOM 1042 CA GLN X 65 7.957 0.167 -7.601 1.00 0.00 C ATOM 1043 C GLN X 65 8.643 -0.790 -8.606 1.00 0.00 C ATOM 1044 O GLN X 65 8.512 -2.012 -8.502 1.00 0.00 O ATOM 1045 CB GLN X 65 6.783 0.894 -8.248 1.00 0.00 C ATOM 1046 CG GLN X 65 5.799 0.054 -8.993 1.00 0.00 C ATOM 1047 CD GLN X 65 4.747 0.918 -9.647 1.00 0.00 C ATOM 1048 OE1 GLN X 65 3.686 1.186 -9.077 1.00 0.00 O ATOM 1049 NE2 GLN X 65 5.064 1.434 -10.808 1.00 0.00 N ATOM 0 H GLN X 65 8.396 2.139 -7.193 1.00 0.00 H new ATOM 0 HA GLN X 65 7.655 -0.490 -6.786 1.00 0.00 H new ATOM 0 HB2 GLN X 65 6.247 1.434 -7.468 1.00 0.00 H new ATOM 0 HB3 GLN X 65 7.182 1.640 -8.935 1.00 0.00 H new ATOM 0 HG2 GLN X 65 6.316 -0.535 -9.751 1.00 0.00 H new ATOM 0 HG3 GLN X 65 5.325 -0.651 -8.310 1.00 0.00 H new ATOM 0 HE21 GLN X 65 5.950 1.190 -11.250 1.00 0.00 H new ATOM 0 HE22 GLN X 65 4.425 2.080 -11.270 1.00 0.00 H new ATOM 1058 N GLU X 66 9.425 -0.261 -9.528 1.00 0.00 N ATOM 1059 CA GLU X 66 10.015 -1.133 -10.549 1.00 0.00 C ATOM 1060 C GLU X 66 11.211 -1.906 -10.020 1.00 0.00 C ATOM 1061 O GLU X 66 11.590 -2.941 -10.571 1.00 0.00 O ATOM 1062 CB GLU X 66 10.433 -0.391 -11.828 1.00 0.00 C ATOM 1063 CG GLU X 66 9.326 0.344 -12.565 1.00 0.00 C ATOM 1064 CD GLU X 66 8.921 1.615 -11.885 1.00 0.00 C ATOM 1065 OE1 GLU X 66 9.820 2.459 -11.625 1.00 0.00 O ATOM 1066 OE2 GLU X 66 7.716 1.815 -11.647 1.00 0.00 O ATOM 0 H GLU X 66 9.665 0.728 -9.600 1.00 0.00 H new ATOM 0 HA GLU X 66 9.214 -1.826 -10.807 1.00 0.00 H new ATOM 0 HB2 GLU X 66 11.210 0.329 -11.569 1.00 0.00 H new ATOM 0 HB3 GLU X 66 10.881 -1.112 -12.512 1.00 0.00 H new ATOM 0 HG2 GLU X 66 9.658 0.569 -13.579 1.00 0.00 H new ATOM 0 HG3 GLU X 66 8.458 -0.309 -12.652 1.00 0.00 H new ATOM 1073 N LYS X 67 11.784 -1.434 -8.941 1.00 0.00 N ATOM 1074 CA LYS X 67 13.006 -2.027 -8.415 1.00 0.00 C ATOM 1075 C LYS X 67 12.692 -3.000 -7.283 1.00 0.00 C ATOM 1076 O LYS X 67 13.568 -3.452 -6.549 1.00 0.00 O ATOM 1077 CB LYS X 67 14.037 -0.942 -8.003 1.00 0.00 C ATOM 1078 CG LYS X 67 14.472 -0.002 -9.158 1.00 0.00 C ATOM 1079 CD LYS X 67 13.383 1.008 -9.509 1.00 0.00 C ATOM 1080 CE LYS X 67 13.688 1.835 -10.747 1.00 0.00 C ATOM 1081 NZ LYS X 67 12.654 2.892 -10.974 1.00 0.00 N ATOM 0 H LYS X 67 11.431 -0.642 -8.404 1.00 0.00 H new ATOM 0 HA LYS X 67 13.475 -2.604 -9.212 1.00 0.00 H new ATOM 0 HB2 LYS X 67 13.611 -0.339 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS X 67 14.921 -1.433 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS X 67 15.381 0.528 -8.872 1.00 0.00 H new ATOM 0 HG3 LYS X 67 14.714 -0.597 -10.039 1.00 0.00 H new ATOM 0 HD2 LYS X 67 12.443 0.477 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS X 67 13.237 1.679 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS X 67 14.668 2.301 -10.641 1.00 0.00 H new ATOM 0 HE3 LYS X 67 13.738 1.182 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS X 67 12.828 3.357 -11.888 1.00 0.00 H new ATOM 0 HZ2 LYS X 67 11.709 2.457 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS X 67 12.705 3.597 -10.211 1.00 0.00 H new ATOM 1095 N PHE X 68 11.433 -3.335 -7.190 1.00 0.00 N ATOM 1096 CA PHE X 68 10.937 -4.318 -6.266 1.00 0.00 C ATOM 1097 C PHE X 68 11.199 -5.727 -6.804 1.00 0.00 C ATOM 1098 O PHE X 68 11.189 -5.948 -8.023 1.00 0.00 O ATOM 1099 CB PHE X 68 9.447 -4.076 -5.941 1.00 0.00 C ATOM 1100 CG PHE X 68 9.218 -3.203 -4.721 1.00 0.00 C ATOM 1101 CD1 PHE X 68 10.084 -2.166 -4.402 1.00 0.00 C ATOM 1102 CD2 PHE X 68 8.169 -3.468 -3.858 1.00 0.00 C ATOM 1103 CE1 PHE X 68 9.898 -1.416 -3.253 1.00 0.00 C ATOM 1104 CE2 PHE X 68 7.990 -2.734 -2.711 1.00 0.00 C ATOM 1105 CZ PHE X 68 8.848 -1.708 -2.405 1.00 0.00 C ATOM 0 H PHE X 68 10.705 -2.920 -7.771 1.00 0.00 H new ATOM 0 HA PHE X 68 11.476 -4.222 -5.324 1.00 0.00 H new ATOM 0 HB2 PHE X 68 8.968 -3.612 -6.803 1.00 0.00 H new ATOM 0 HB3 PHE X 68 8.958 -5.038 -5.784 1.00 0.00 H new ATOM 0 HD1 PHE X 68 10.912 -1.942 -5.058 1.00 0.00 H new ATOM 0 HD2 PHE X 68 7.479 -4.266 -4.091 1.00 0.00 H new ATOM 0 HE1 PHE X 68 10.572 -0.605 -3.021 1.00 0.00 H new ATOM 0 HE2 PHE X 68 7.170 -2.965 -2.047 1.00 0.00 H new ATOM 0 HZ PHE X 68 8.703 -1.131 -1.504 1.00 0.00 H new ATOM 1115 N VAL X 69 11.400 -6.669 -5.901 1.00 0.00 N ATOM 1116 CA VAL X 69 11.778 -8.048 -6.243 1.00 0.00 C ATOM 1117 C VAL X 69 10.616 -8.883 -5.765 1.00 0.00 C ATOM 1118 O VAL X 69 9.859 -8.408 -5.013 1.00 0.00 O ATOM 1119 CB VAL X 69 13.057 -8.455 -5.436 1.00 0.00 C ATOM 1120 CG1 VAL X 69 13.524 -9.857 -5.776 1.00 0.00 C ATOM 1121 CG2 VAL X 69 14.179 -7.449 -5.643 1.00 0.00 C ATOM 0 H VAL X 69 11.307 -6.508 -4.898 1.00 0.00 H new ATOM 0 HA VAL X 69 11.988 -8.172 -7.305 1.00 0.00 H new ATOM 0 HB VAL X 69 12.781 -8.451 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL X 69 14.413 -10.096 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL X 69 12.734 -10.570 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL X 69 13.761 -9.914 -6.838 1.00 0.00 H new ATOM 0 HG21 VAL X 69 15.054 -7.757 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL X 69 14.435 -7.403 -6.701 1.00 0.00 H new ATOM 0 HG23 VAL X 69 13.853 -6.465 -5.305 1.00 0.00 H new ATOM 1131 N VAL X 70 10.425 -10.065 -6.205 1.00 0.00 N ATOM 1132 CA VAL X 70 9.177 -10.706 -5.858 1.00 0.00 C ATOM 1133 C VAL X 70 9.092 -11.360 -4.465 1.00 0.00 C ATOM 1134 O VAL X 70 9.802 -12.317 -4.138 1.00 0.00 O ATOM 1135 CB VAL X 70 8.659 -11.642 -6.979 1.00 0.00 C ATOM 1136 CG1 VAL X 70 9.659 -12.744 -7.315 1.00 0.00 C ATOM 1137 CG2 VAL X 70 7.291 -12.232 -6.645 1.00 0.00 C ATOM 0 H VAL X 70 11.070 -10.606 -6.781 1.00 0.00 H new ATOM 0 HA VAL X 70 8.493 -9.862 -5.772 1.00 0.00 H new ATOM 0 HB VAL X 70 8.544 -11.021 -7.867 1.00 0.00 H new ATOM 0 HG11 VAL X 70 9.253 -13.375 -8.106 1.00 0.00 H new ATOM 0 HG12 VAL X 70 10.594 -12.296 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL X 70 9.846 -13.349 -6.428 1.00 0.00 H new ATOM 0 HG21 VAL X 70 6.967 -12.882 -7.458 1.00 0.00 H new ATOM 0 HG22 VAL X 70 7.359 -12.810 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL X 70 6.569 -11.426 -6.515 1.00 0.00 H new ATOM 1147 N ASP X 71 8.220 -10.773 -3.655 1.00 0.00 N ATOM 1148 CA ASP X 71 7.690 -11.344 -2.448 1.00 0.00 C ATOM 1149 C ASP X 71 6.242 -11.627 -2.787 1.00 0.00 C ATOM 1150 O ASP X 71 5.462 -10.696 -3.021 1.00 0.00 O ATOM 1151 CB ASP X 71 7.813 -10.312 -1.342 1.00 0.00 C ATOM 1152 CG ASP X 71 6.985 -10.557 -0.106 1.00 0.00 C ATOM 1153 OD1 ASP X 71 5.828 -10.066 -0.073 1.00 0.00 O ATOM 1154 OD2 ASP X 71 7.494 -11.142 0.872 1.00 0.00 O ATOM 0 H ASP X 71 7.852 -9.840 -3.842 1.00 0.00 H new ATOM 0 HA ASP X 71 8.202 -12.244 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP X 71 8.860 -10.251 -1.046 1.00 0.00 H new ATOM 0 HB3 ASP X 71 7.540 -9.339 -1.750 1.00 0.00 H new ATOM 1159 N GLU X 72 5.922 -12.890 -2.896 1.00 0.00 N ATOM 1160 CA GLU X 72 4.643 -13.349 -3.413 1.00 0.00 C ATOM 1161 C GLU X 72 3.536 -13.316 -2.369 1.00 0.00 C ATOM 1162 O GLU X 72 2.367 -13.132 -2.705 1.00 0.00 O ATOM 1163 CB GLU X 72 4.808 -14.766 -3.979 1.00 0.00 C ATOM 1164 CG GLU X 72 3.538 -15.390 -4.528 1.00 0.00 C ATOM 1165 CD GLU X 72 3.773 -16.762 -5.082 1.00 0.00 C ATOM 1166 OE1 GLU X 72 3.766 -17.749 -4.311 1.00 0.00 O ATOM 1167 OE2 GLU X 72 3.973 -16.888 -6.300 1.00 0.00 O ATOM 0 H GLU X 72 6.549 -13.648 -2.625 1.00 0.00 H new ATOM 0 HA GLU X 72 4.338 -12.662 -4.202 1.00 0.00 H new ATOM 0 HB2 GLU X 72 5.554 -14.739 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU X 72 5.202 -15.411 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU X 72 2.790 -15.443 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU X 72 3.130 -14.750 -5.310 1.00 0.00 H new ATOM 1174 N ASN X 73 3.890 -13.469 -1.120 1.00 0.00 N ATOM 1175 CA ASN X 73 2.877 -13.517 -0.066 1.00 0.00 C ATOM 1176 C ASN X 73 2.195 -12.174 0.195 1.00 0.00 C ATOM 1177 O ASN X 73 1.124 -12.128 0.788 1.00 0.00 O ATOM 1178 CB ASN X 73 3.364 -14.214 1.234 1.00 0.00 C ATOM 1179 CG ASN X 73 4.731 -13.771 1.753 1.00 0.00 C ATOM 1180 OD1 ASN X 73 5.112 -12.554 1.502 1.00 0.00 O flip ATOM 1181 ND2 ASN X 73 5.444 -14.557 2.386 1.00 0.00 N flip ATOM 0 H ASN X 73 4.853 -13.562 -0.798 1.00 0.00 H new ATOM 0 HA ASN X 73 2.096 -14.163 -0.467 1.00 0.00 H new ATOM 0 HB2 ASN X 73 2.625 -14.039 2.016 1.00 0.00 H new ATOM 0 HB3 ASN X 73 3.394 -15.289 1.058 1.00 0.00 H new ATOM 0 HD21 ASN X 73 5.119 -15.507 2.568 1.00 0.00 H new ATOM 0 HD22 ASN X 73 6.357 -14.256 2.726 1.00 0.00 H new ATOM 1188 N PHE X 74 2.789 -11.097 -0.278 1.00 0.00 N ATOM 1189 CA PHE X 74 2.189 -9.784 -0.142 1.00 0.00 C ATOM 1190 C PHE X 74 1.958 -9.151 -1.517 1.00 0.00 C ATOM 1191 O PHE X 74 2.540 -9.565 -2.508 1.00 0.00 O ATOM 1192 CB PHE X 74 3.041 -8.823 0.710 1.00 0.00 C ATOM 1193 CG PHE X 74 3.074 -9.025 2.199 1.00 0.00 C ATOM 1194 CD1 PHE X 74 3.835 -10.013 2.780 1.00 0.00 C ATOM 1195 CD2 PHE X 74 2.362 -8.182 3.017 1.00 0.00 C ATOM 1196 CE1 PHE X 74 3.873 -10.160 4.152 1.00 0.00 C ATOM 1197 CE2 PHE X 74 2.393 -8.322 4.376 1.00 0.00 C ATOM 1198 CZ PHE X 74 3.145 -9.311 4.951 1.00 0.00 C ATOM 0 H PHE X 74 3.688 -11.105 -0.761 1.00 0.00 H new ATOM 0 HA PHE X 74 1.239 -9.937 0.369 1.00 0.00 H new ATOM 0 HB2 PHE X 74 4.067 -8.877 0.345 1.00 0.00 H new ATOM 0 HB3 PHE X 74 2.688 -7.809 0.520 1.00 0.00 H new ATOM 0 HD1 PHE X 74 4.409 -10.681 2.155 1.00 0.00 H new ATOM 0 HD2 PHE X 74 1.767 -7.395 2.578 1.00 0.00 H new ATOM 0 HE1 PHE X 74 4.473 -10.940 4.596 1.00 0.00 H new ATOM 0 HE2 PHE X 74 1.822 -7.650 4.999 1.00 0.00 H new ATOM 0 HZ PHE X 74 3.166 -9.423 6.025 1.00 0.00 H new ATOM 1208 N THR X 75 1.202 -8.090 -1.524 1.00 0.00 N ATOM 1209 CA THR X 75 0.823 -7.340 -2.699 1.00 0.00 C ATOM 1210 C THR X 75 1.385 -5.935 -2.537 1.00 0.00 C ATOM 1211 O THR X 75 1.389 -5.412 -1.391 1.00 0.00 O ATOM 1212 CB THR X 75 -0.728 -7.278 -2.716 1.00 0.00 C ATOM 1213 OG1 THR X 75 -1.215 -6.733 -1.489 1.00 0.00 O ATOM 1214 CG2 THR X 75 -1.304 -8.669 -2.896 1.00 0.00 C ATOM 0 H THR X 75 0.810 -7.700 -0.667 1.00 0.00 H new ATOM 0 HA THR X 75 1.195 -7.790 -3.620 1.00 0.00 H new ATOM 0 HB THR X 75 -1.035 -6.642 -3.546 1.00 0.00 H new ATOM 0 HG1 THR X 75 -2.058 -6.261 -1.653 1.00 0.00 H new ATOM 0 HG21 THR X 75 -2.393 -8.614 -2.906 1.00 0.00 H new ATOM 0 HG22 THR X 75 -0.953 -9.089 -3.839 1.00 0.00 H new ATOM 0 HG23 THR X 75 -0.981 -9.306 -2.072 1.00 0.00 H new ATOM 1222 N GLU X 76 1.940 -5.335 -3.622 1.00 0.00 N ATOM 1223 CA GLU X 76 2.507 -4.015 -3.487 1.00 0.00 C ATOM 1224 C GLU X 76 1.693 -2.997 -4.217 1.00 0.00 C ATOM 1225 O GLU X 76 1.372 -3.161 -5.373 1.00 0.00 O ATOM 1226 CB GLU X 76 4.032 -3.959 -3.803 1.00 0.00 C ATOM 1227 CG GLU X 76 4.508 -4.484 -5.168 1.00 0.00 C ATOM 1228 CD GLU X 76 4.303 -3.543 -6.346 1.00 0.00 C ATOM 1229 OE1 GLU X 76 5.124 -2.635 -6.519 1.00 0.00 O ATOM 1230 OE2 GLU X 76 3.362 -3.767 -7.135 1.00 0.00 O ATOM 0 H GLU X 76 1.995 -5.744 -4.555 1.00 0.00 H new ATOM 0 HA GLU X 76 2.452 -3.749 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU X 76 4.353 -2.921 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU X 76 4.554 -4.521 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU X 76 5.570 -4.720 -5.096 1.00 0.00 H new ATOM 0 HG3 GLU X 76 3.988 -5.418 -5.379 1.00 0.00 H new ATOM 1237 N ASN X 77 1.267 -2.002 -3.525 1.00 0.00 N ATOM 1238 CA ASN X 77 0.447 -1.020 -4.153 1.00 0.00 C ATOM 1239 C ASN X 77 0.917 0.394 -3.753 1.00 0.00 C ATOM 1240 O ASN X 77 1.314 0.628 -2.594 1.00 0.00 O ATOM 1241 CB ASN X 77 -1.022 -1.315 -3.792 1.00 0.00 C ATOM 1242 CG ASN X 77 -1.305 -1.169 -2.315 1.00 0.00 C ATOM 1243 OD1 ASN X 77 -1.546 -0.090 -1.827 1.00 0.00 O ATOM 1244 ND2 ASN X 77 -1.322 -2.272 -1.611 1.00 0.00 N ATOM 0 H ASN X 77 1.467 -1.843 -2.537 1.00 0.00 H new ATOM 0 HA ASN X 77 0.532 -1.062 -5.239 1.00 0.00 H new ATOM 0 HB2 ASN X 77 -1.671 -0.639 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN X 77 -1.272 -2.328 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN X 77 -1.544 -2.239 -0.616 1.00 0.00 H new ATOM 0 HD22 ASN X 77 -1.113 -3.165 -2.057 1.00 0.00 H new ATOM 1251 N TYR X 78 0.919 1.312 -4.722 1.00 0.00 N ATOM 1252 CA TYR X 78 1.414 2.682 -4.522 1.00 0.00 C ATOM 1253 C TYR X 78 0.483 3.695 -5.170 1.00 0.00 C ATOM 1254 O TYR X 78 -0.067 3.450 -6.242 1.00 0.00 O ATOM 1255 CB TYR X 78 2.894 2.814 -5.050 1.00 0.00 C ATOM 1256 CG TYR X 78 3.388 4.204 -5.439 1.00 0.00 C ATOM 1257 CD1 TYR X 78 3.672 5.180 -4.483 1.00 0.00 C ATOM 1258 CD2 TYR X 78 3.595 4.522 -6.771 1.00 0.00 C ATOM 1259 CE1 TYR X 78 4.143 6.423 -4.849 1.00 0.00 C ATOM 1260 CE2 TYR X 78 4.066 5.760 -7.140 1.00 0.00 C ATOM 1261 CZ TYR X 78 4.338 6.704 -6.181 1.00 0.00 C ATOM 1262 OH TYR X 78 4.795 7.936 -6.564 1.00 0.00 O ATOM 0 H TYR X 78 0.579 1.130 -5.666 1.00 0.00 H new ATOM 0 HA TYR X 78 1.426 2.899 -3.454 1.00 0.00 H new ATOM 0 HB2 TYR X 78 3.560 2.425 -4.280 1.00 0.00 H new ATOM 0 HB3 TYR X 78 2.999 2.166 -5.920 1.00 0.00 H new ATOM 0 HD1 TYR X 78 3.520 4.958 -3.437 1.00 0.00 H new ATOM 0 HD2 TYR X 78 3.383 3.786 -7.532 1.00 0.00 H new ATOM 0 HE1 TYR X 78 4.357 7.168 -4.097 1.00 0.00 H new ATOM 0 HE2 TYR X 78 4.222 5.990 -8.184 1.00 0.00 H new ATOM 0 HH TYR X 78 5.350 8.315 -5.851 1.00 0.00 H new ATOM 1272 N LEU X 79 0.285 4.798 -4.501 1.00 0.00 N ATOM 1273 CA LEU X 79 -0.552 5.897 -5.007 1.00 0.00 C ATOM 1274 C LEU X 79 0.201 6.743 -6.016 1.00 0.00 C ATOM 1275 O LEU X 79 1.153 7.431 -5.666 1.00 0.00 O ATOM 1276 CB LEU X 79 -1.027 6.808 -3.862 1.00 0.00 C ATOM 1277 CG LEU X 79 -1.547 8.210 -4.278 1.00 0.00 C ATOM 1278 CD1 LEU X 79 -2.866 8.158 -5.029 1.00 0.00 C ATOM 1279 CD2 LEU X 79 -1.611 9.144 -3.091 1.00 0.00 C ATOM 0 H LEU X 79 0.693 4.979 -3.584 1.00 0.00 H new ATOM 0 HA LEU X 79 -1.415 5.438 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU X 79 -1.821 6.294 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU X 79 -0.201 6.941 -3.164 1.00 0.00 H new ATOM 0 HG LEU X 79 -0.820 8.613 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU X 79 -3.175 9.170 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU X 79 -2.744 7.569 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU X 79 -3.626 7.698 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU X 79 -1.979 10.118 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU X 79 -2.285 8.732 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU X 79 -0.615 9.256 -2.662 1.00 0.00 H new