USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=26 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 65 GLN : amide:sc= 0.296 K(o=0.25,f=-6.7!) USER MOD Set 1.2: X 78 TYR OH : rot 180:sc= -0.0452 USER MOD Set 2.1: X 24 LYS NZ :NH3+ -151:sc= 1.29 (180deg=1.03) USER MOD Set 2.2: X 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: X 23 LYS NZ :NH3+ -142:sc= -0.125 (180deg=-2.59!) USER MOD Set 3.2: X 25 SER OG : rot 31:sc= 0.0907 USER MOD Set 3.3: X 55 TYR OH : rot -169:sc= 0.466 USER MOD Single : X 6 CYS SG : rot 180:sc= 0.0744 USER MOD Single : X 8 THR OG1 : rot 180:sc= 0 USER MOD Single : X 10 TYR OH : rot -119:sc= 1.33 USER MOD Single : X 12 ASN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : X 14 LYS NZ :NH3+ -112:sc= -0.329! (180deg=-4.01!) USER MOD Single : X 15 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 THR OG1 : rot 180:sc= -0.161 USER MOD Single : X 20 LYS NZ :NH3+ 152:sc= 2.49 (180deg=1.5) USER MOD Single : X 21 SER OG : rot 58:sc= 0.195 USER MOD Single : X 26 SER OG : rot 150:sc= -1.76! USER MOD Single : X 32 LYS NZ :NH3+ 157:sc= 0.983 (180deg=0.323) USER MOD Single : X 33 LYS NZ :NH3+ -123:sc= 1.18 (180deg=0.889) USER MOD Single : X 34 THR OG1 : rot 86:sc= 1.24 USER MOD Single : X 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 38 THR OG1 : rot 180:sc= 0.0459 USER MOD Single : X 40 TYR OH : rot 180:sc= 0 USER MOD Single : X 42 TYR OH : rot 180:sc= 0.117 USER MOD Single : X 48 THR OG1 : rot 180:sc= 0 USER MOD Single : X 50 ASN :FLIP amide:sc= 0 F(o=-0.94!,f=0) USER MOD Single : X 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 56 ASN : amide:sc= 0.16 K(o=0.16,f=-3.2!) USER MOD Single : X 67 LYS NZ :NH3+ -165:sc= 0.328 (180deg=0.0683) USER MOD Single : X 73 ASN :FLIP amide:sc= -0.326 F(o=-3!,f=-0.33) USER MOD Single : X 75 THR OG1 : rot -64:sc= 0.954 USER MOD Single : X 77 ASN : amide:sc= -2.65 X(o=-2.6,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 72 N ASP X 5 -9.093 4.703 -1.376 1.00 0.00 N ATOM 73 CA ASP X 5 -8.760 5.442 -2.572 1.00 0.00 C ATOM 74 C ASP X 5 -8.209 4.474 -3.601 1.00 0.00 C ATOM 75 O ASP X 5 -8.102 3.278 -3.318 1.00 0.00 O ATOM 76 CB ASP X 5 -7.805 6.606 -2.297 1.00 0.00 C ATOM 77 CG ASP X 5 -7.966 7.716 -3.322 1.00 0.00 C ATOM 78 OD1 ASP X 5 -7.509 7.570 -4.435 1.00 0.00 O ATOM 79 OD2 ASP X 5 -8.622 8.741 -3.010 1.00 0.00 O ATOM 0 HA ASP X 5 -9.664 5.907 -2.965 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -7.991 7.002 -1.299 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -6.777 6.245 -2.310 1.00 0.00 H new ATOM 84 N CYS X 6 -7.877 4.942 -4.758 1.00 0.00 N ATOM 85 CA CYS X 6 -7.419 4.052 -5.789 1.00 0.00 C ATOM 86 C CYS X 6 -5.958 3.965 -5.864 1.00 0.00 C ATOM 87 O CYS X 6 -5.259 4.913 -6.244 1.00 0.00 O ATOM 88 CB CYS X 6 -8.002 4.314 -7.149 1.00 0.00 C ATOM 89 SG CYS X 6 -8.356 6.069 -7.517 1.00 0.00 S ATOM 0 H CYS X 6 -7.911 5.927 -5.019 1.00 0.00 H new ATOM 0 HA CYS X 6 -7.802 3.082 -5.474 1.00 0.00 H new ATOM 0 HB2 CYS X 6 -7.312 3.933 -7.902 1.00 0.00 H new ATOM 0 HB3 CYS X 6 -8.927 3.745 -7.246 1.00 0.00 H new ATOM 0 HG CYS X 6 -8.852 6.170 -8.714 1.00 0.00 H new ATOM 94 N TRP X 7 -5.479 2.843 -5.495 1.00 0.00 N ATOM 95 CA TRP X 7 -4.101 2.622 -5.514 1.00 0.00 C ATOM 96 C TRP X 7 -3.814 1.842 -6.761 1.00 0.00 C ATOM 97 O TRP X 7 -4.654 1.069 -7.233 1.00 0.00 O ATOM 98 CB TRP X 7 -3.618 1.895 -4.224 1.00 0.00 C ATOM 99 CG TRP X 7 -4.294 2.384 -2.969 1.00 0.00 C ATOM 100 CD1 TRP X 7 -4.920 3.570 -2.776 1.00 0.00 C ATOM 101 CD2 TRP X 7 -4.403 1.687 -1.753 1.00 0.00 C ATOM 102 NE1 TRP X 7 -5.458 3.628 -1.539 1.00 0.00 N ATOM 103 CE2 TRP X 7 -5.133 2.489 -0.873 1.00 0.00 C ATOM 104 CE3 TRP X 7 -3.967 0.461 -1.326 1.00 0.00 C ATOM 105 CZ2 TRP X 7 -5.425 2.089 0.410 1.00 0.00 C ATOM 106 CZ3 TRP X 7 -4.250 0.063 -0.058 1.00 0.00 C ATOM 107 CH2 TRP X 7 -4.972 0.872 0.796 1.00 0.00 C ATOM 0 H TRP X 7 -6.038 2.053 -5.171 1.00 0.00 H new ATOM 0 HA TRP X 7 -3.550 3.562 -5.525 1.00 0.00 H new ATOM 0 HB2 TRP X 7 -3.798 0.825 -4.331 1.00 0.00 H new ATOM 0 HB3 TRP X 7 -2.541 2.029 -4.123 1.00 0.00 H new ATOM 0 HD1 TRP X 7 -4.980 4.360 -3.510 1.00 0.00 H new ATOM 0 HE1 TRP X 7 -6.015 4.397 -1.167 1.00 0.00 H new ATOM 0 HE3 TRP X 7 -3.406 -0.181 -1.988 1.00 0.00 H new ATOM 0 HZ2 TRP X 7 -5.991 2.718 1.081 1.00 0.00 H new ATOM 0 HZ3 TRP X 7 -3.905 -0.901 0.287 1.00 0.00 H new ATOM 0 HH2 TRP X 7 -5.181 0.526 1.797 1.00 0.00 H new ATOM 118 N THR X 8 -2.673 2.016 -7.270 1.00 0.00 N ATOM 119 CA THR X 8 -2.306 1.418 -8.511 1.00 0.00 C ATOM 120 C THR X 8 -1.462 0.195 -8.231 1.00 0.00 C ATOM 121 O THR X 8 -0.518 0.242 -7.413 1.00 0.00 O ATOM 122 CB THR X 8 -1.472 2.430 -9.316 1.00 0.00 C ATOM 123 OG1 THR X 8 -2.173 3.684 -9.372 1.00 0.00 O ATOM 124 CG2 THR X 8 -1.211 1.930 -10.727 1.00 0.00 C ATOM 0 H THR X 8 -1.941 2.584 -6.844 1.00 0.00 H new ATOM 0 HA THR X 8 -3.196 1.135 -9.073 1.00 0.00 H new ATOM 0 HB THR X 8 -0.511 2.558 -8.818 1.00 0.00 H new ATOM 0 HG1 THR X 8 -1.644 4.332 -9.883 1.00 0.00 H new ATOM 0 HG21 THR X 8 -0.620 2.667 -11.271 1.00 0.00 H new ATOM 0 HG22 THR X 8 -0.666 0.987 -10.684 1.00 0.00 H new ATOM 0 HG23 THR X 8 -2.160 1.777 -11.240 1.00 0.00 H new ATOM 132 N PHE X 9 -1.832 -0.907 -8.859 1.00 0.00 N ATOM 133 CA PHE X 9 -1.157 -2.136 -8.642 1.00 0.00 C ATOM 134 C PHE X 9 -0.074 -2.315 -9.658 1.00 0.00 C ATOM 135 O PHE X 9 -0.302 -2.116 -10.858 1.00 0.00 O ATOM 136 CB PHE X 9 -2.105 -3.342 -8.706 1.00 0.00 C ATOM 137 CG PHE X 9 -1.458 -4.506 -8.069 1.00 0.00 C ATOM 138 CD1 PHE X 9 -1.141 -4.386 -6.784 1.00 0.00 C ATOM 139 CD2 PHE X 9 -1.125 -5.675 -8.735 1.00 0.00 C ATOM 140 CE1 PHE X 9 -0.505 -5.350 -6.108 1.00 0.00 C ATOM 141 CE2 PHE X 9 -0.472 -6.691 -8.040 1.00 0.00 C ATOM 142 CZ PHE X 9 -0.166 -6.492 -6.699 1.00 0.00 C ATOM 0 H PHE X 9 -2.604 -0.957 -9.524 1.00 0.00 H new ATOM 0 HA PHE X 9 -0.733 -2.091 -7.639 1.00 0.00 H new ATOM 0 HB2 PHE X 9 -3.042 -3.110 -8.199 1.00 0.00 H new ATOM 0 HB3 PHE X 9 -2.351 -3.571 -9.743 1.00 0.00 H new ATOM 0 HD1 PHE X 9 -1.407 -3.476 -6.266 1.00 0.00 H new ATOM 0 HD2 PHE X 9 -1.369 -5.797 -9.780 1.00 0.00 H new ATOM 0 HE1 PHE X 9 -0.263 -5.198 -5.066 1.00 0.00 H new ATOM 0 HE2 PHE X 9 -0.209 -7.615 -8.534 1.00 0.00 H new ATOM 0 HZ PHE X 9 0.345 -7.262 -6.139 1.00 0.00 H new ATOM 152 N TYR X 10 1.096 -2.662 -9.208 1.00 0.00 N ATOM 153 CA TYR X 10 2.158 -2.933 -10.144 1.00 0.00 C ATOM 154 C TYR X 10 2.482 -4.423 -10.190 1.00 0.00 C ATOM 155 O TYR X 10 2.416 -5.044 -11.255 1.00 0.00 O ATOM 156 CB TYR X 10 3.418 -2.122 -9.821 1.00 0.00 C ATOM 157 CG TYR X 10 4.499 -2.165 -10.909 1.00 0.00 C ATOM 158 CD1 TYR X 10 5.474 -3.164 -10.938 1.00 0.00 C ATOM 159 CD2 TYR X 10 4.546 -1.189 -11.893 1.00 0.00 C ATOM 160 CE1 TYR X 10 6.454 -3.182 -11.920 1.00 0.00 C ATOM 161 CE2 TYR X 10 5.521 -1.199 -12.872 1.00 0.00 C ATOM 162 CZ TYR X 10 6.472 -2.194 -12.884 1.00 0.00 C ATOM 163 OH TYR X 10 7.454 -2.200 -13.867 1.00 0.00 O ATOM 0 H TYR X 10 1.341 -2.764 -8.223 1.00 0.00 H new ATOM 0 HA TYR X 10 1.805 -2.625 -11.128 1.00 0.00 H new ATOM 0 HB2 TYR X 10 3.133 -1.084 -9.651 1.00 0.00 H new ATOM 0 HB3 TYR X 10 3.844 -2.492 -8.889 1.00 0.00 H new ATOM 0 HD1 TYR X 10 5.465 -3.936 -10.183 1.00 0.00 H new ATOM 0 HD2 TYR X 10 3.804 -0.404 -11.894 1.00 0.00 H new ATOM 0 HE1 TYR X 10 7.198 -3.964 -11.930 1.00 0.00 H new ATOM 0 HE2 TYR X 10 5.537 -0.427 -13.627 1.00 0.00 H new ATOM 0 HH TYR X 10 7.982 -1.377 -13.807 1.00 0.00 H new ATOM 173 N ALA X 11 2.801 -4.995 -9.042 1.00 0.00 N ATOM 174 CA ALA X 11 3.320 -6.344 -8.966 1.00 0.00 C ATOM 175 C ALA X 11 3.330 -6.795 -7.533 1.00 0.00 C ATOM 176 O ALA X 11 3.054 -6.002 -6.635 1.00 0.00 O ATOM 177 CB ALA X 11 4.728 -6.429 -9.553 1.00 0.00 C ATOM 0 H ALA X 11 2.706 -4.534 -8.137 1.00 0.00 H new ATOM 0 HA ALA X 11 2.674 -6.997 -9.552 1.00 0.00 H new ATOM 0 HB1 ALA X 11 5.091 -7.454 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA X 11 4.705 -6.124 -10.599 1.00 0.00 H new ATOM 0 HB3 ALA X 11 5.394 -5.769 -8.998 1.00 0.00 H new ATOM 183 N ASN X 12 3.526 -8.067 -7.306 1.00 0.00 N ATOM 184 CA ASN X 12 3.681 -8.537 -5.941 1.00 0.00 C ATOM 185 C ASN X 12 5.137 -8.218 -5.621 1.00 0.00 C ATOM 186 O ASN X 12 6.049 -8.661 -6.340 1.00 0.00 O ATOM 187 CB ASN X 12 3.487 -10.069 -5.900 1.00 0.00 C ATOM 188 CG ASN X 12 2.100 -10.569 -6.314 1.00 0.00 C ATOM 189 OD1 ASN X 12 1.982 -11.590 -6.987 1.00 0.00 O ATOM 190 ND2 ASN X 12 1.058 -9.930 -5.846 1.00 0.00 N ATOM 0 H ASN X 12 3.582 -8.788 -8.026 1.00 0.00 H new ATOM 0 HA ASN X 12 2.970 -8.086 -5.249 1.00 0.00 H new ATOM 0 HB2 ASN X 12 4.230 -10.529 -6.552 1.00 0.00 H new ATOM 0 HB3 ASN X 12 3.692 -10.417 -4.888 1.00 0.00 H new ATOM 0 HD21 ASN X 12 0.118 -10.278 -6.037 1.00 0.00 H new ATOM 0 HD22 ASN X 12 1.186 -9.085 -5.290 1.00 0.00 H new ATOM 197 N ARG X 13 5.375 -7.433 -4.578 1.00 0.00 N ATOM 198 CA ARG X 13 6.739 -6.885 -4.370 1.00 0.00 C ATOM 199 C ARG X 13 7.149 -6.602 -2.918 1.00 0.00 C ATOM 200 O ARG X 13 6.309 -6.261 -2.078 1.00 0.00 O ATOM 201 CB ARG X 13 6.884 -5.551 -5.109 1.00 0.00 C ATOM 202 CG ARG X 13 6.989 -5.574 -6.621 1.00 0.00 C ATOM 203 CD ARG X 13 8.222 -6.309 -7.072 1.00 0.00 C ATOM 204 NE ARG X 13 8.494 -6.121 -8.494 1.00 0.00 N ATOM 205 CZ ARG X 13 8.388 -7.068 -9.424 1.00 0.00 C ATOM 206 NH1 ARG X 13 7.800 -8.237 -9.127 1.00 0.00 N ATOM 207 NH2 ARG X 13 8.825 -6.840 -10.659 1.00 0.00 N ATOM 0 H ARG X 13 4.683 -7.161 -3.880 1.00 0.00 H new ATOM 0 HA ARG X 13 7.384 -7.680 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG X 13 6.028 -4.930 -4.845 1.00 0.00 H new ATOM 0 HB3 ARG X 13 7.772 -5.051 -4.722 1.00 0.00 H new ATOM 0 HG2 ARG X 13 6.104 -6.051 -7.042 1.00 0.00 H new ATOM 0 HG3 ARG X 13 7.012 -4.553 -7.002 1.00 0.00 H new ATOM 0 HD2 ARG X 13 9.079 -5.965 -6.493 1.00 0.00 H new ATOM 0 HD3 ARG X 13 8.104 -7.373 -6.865 1.00 0.00 H new ATOM 0 HE ARG X 13 8.788 -5.193 -8.798 1.00 0.00 H new ATOM 0 HH11 ARG X 13 7.434 -8.400 -8.189 1.00 0.00 H new ATOM 0 HH12 ARG X 13 7.719 -8.962 -9.839 1.00 0.00 H new ATOM 0 HH21 ARG X 13 9.242 -5.939 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG X 13 8.744 -7.566 -11.371 1.00 0.00 H new ATOM 221 N LYS X 14 8.481 -6.783 -2.683 1.00 0.00 N ATOM 222 CA LYS X 14 9.301 -6.277 -1.503 1.00 0.00 C ATOM 223 C LYS X 14 10.745 -6.192 -1.836 1.00 0.00 C ATOM 224 O LYS X 14 11.283 -7.035 -2.513 1.00 0.00 O ATOM 225 CB LYS X 14 9.270 -7.048 -0.178 1.00 0.00 C ATOM 226 CG LYS X 14 8.340 -6.473 0.822 1.00 0.00 C ATOM 227 CD LYS X 14 7.057 -7.077 0.586 1.00 0.00 C ATOM 228 CE LYS X 14 5.957 -6.387 1.190 1.00 0.00 C ATOM 229 NZ LYS X 14 4.779 -6.927 0.603 1.00 0.00 N ATOM 0 H LYS X 14 9.058 -7.312 -3.337 1.00 0.00 H new ATOM 0 HA LYS X 14 8.794 -5.326 -1.338 1.00 0.00 H new ATOM 0 HB2 LYS X 14 8.984 -8.081 -0.375 1.00 0.00 H new ATOM 0 HB3 LYS X 14 10.275 -7.070 0.243 1.00 0.00 H new ATOM 0 HG2 LYS X 14 8.685 -6.680 1.835 1.00 0.00 H new ATOM 0 HG3 LYS X 14 8.283 -5.389 0.719 1.00 0.00 H new ATOM 0 HD2 LYS X 14 6.888 -7.133 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS X 14 7.077 -8.101 0.960 1.00 0.00 H new ATOM 0 HE2 LYS X 14 5.954 -6.530 2.271 1.00 0.00 H new ATOM 0 HE3 LYS X 14 6.025 -5.314 1.010 1.00 0.00 H new ATOM 0 HZ1 LYS X 14 4.323 -6.203 0.011 1.00 0.00 H new ATOM 0 HZ2 LYS X 14 5.029 -7.748 0.015 1.00 0.00 H new ATOM 0 HZ3 LYS X 14 4.123 -7.225 1.353 1.00 0.00 H new ATOM 243 N TYR X 15 11.398 -5.201 -1.316 1.00 0.00 N ATOM 244 CA TYR X 15 12.825 -5.147 -1.412 1.00 0.00 C ATOM 245 C TYR X 15 13.397 -5.776 -0.127 1.00 0.00 C ATOM 246 O TYR X 15 14.174 -5.190 0.585 1.00 0.00 O ATOM 247 CB TYR X 15 13.316 -3.707 -1.646 1.00 0.00 C ATOM 248 CG TYR X 15 14.807 -3.586 -1.944 1.00 0.00 C ATOM 249 CD1 TYR X 15 15.428 -4.457 -2.832 1.00 0.00 C ATOM 250 CD2 TYR X 15 15.581 -2.589 -1.362 1.00 0.00 C ATOM 251 CE1 TYR X 15 16.768 -4.341 -3.127 1.00 0.00 C ATOM 252 CE2 TYR X 15 16.927 -2.470 -1.652 1.00 0.00 C ATOM 253 CZ TYR X 15 17.513 -3.350 -2.536 1.00 0.00 C ATOM 254 OH TYR X 15 18.856 -3.225 -2.849 1.00 0.00 O ATOM 0 H TYR X 15 10.968 -4.419 -0.821 1.00 0.00 H new ATOM 0 HA TYR X 15 13.179 -5.711 -2.275 1.00 0.00 H new ATOM 0 HB2 TYR X 15 12.757 -3.277 -2.477 1.00 0.00 H new ATOM 0 HB3 TYR X 15 13.085 -3.110 -0.763 1.00 0.00 H new ATOM 0 HD1 TYR X 15 14.848 -5.239 -3.299 1.00 0.00 H new ATOM 0 HD2 TYR X 15 15.123 -1.896 -0.672 1.00 0.00 H new ATOM 0 HE1 TYR X 15 17.232 -5.027 -3.821 1.00 0.00 H new ATOM 0 HE2 TYR X 15 17.516 -1.692 -1.189 1.00 0.00 H new ATOM 0 HH TYR X 15 19.240 -2.475 -2.348 1.00 0.00 H new ATOM 264 N THR X 16 12.898 -6.967 0.166 1.00 0.00 N ATOM 265 CA THR X 16 13.305 -7.844 1.267 1.00 0.00 C ATOM 266 C THR X 16 13.055 -7.344 2.717 1.00 0.00 C ATOM 267 O THR X 16 12.473 -8.079 3.525 1.00 0.00 O ATOM 268 CB THR X 16 14.744 -8.427 1.096 1.00 0.00 C ATOM 269 OG1 THR X 16 15.726 -7.385 0.918 1.00 0.00 O ATOM 270 CG2 THR X 16 14.802 -9.380 -0.094 1.00 0.00 C ATOM 0 H THR X 16 12.149 -7.378 -0.391 1.00 0.00 H new ATOM 0 HA THR X 16 12.587 -8.657 1.160 1.00 0.00 H new ATOM 0 HB THR X 16 14.978 -8.970 2.012 1.00 0.00 H new ATOM 0 HG1 THR X 16 16.614 -7.786 0.816 1.00 0.00 H new ATOM 0 HG21 THR X 16 15.813 -9.775 -0.195 1.00 0.00 H new ATOM 0 HG22 THR X 16 14.105 -10.203 0.065 1.00 0.00 H new ATOM 0 HG23 THR X 16 14.529 -8.844 -1.003 1.00 0.00 H new ATOM 278 N ASP X 17 13.424 -6.121 3.044 1.00 0.00 N ATOM 279 CA ASP X 17 13.404 -5.702 4.432 1.00 0.00 C ATOM 280 C ASP X 17 12.380 -4.606 4.708 1.00 0.00 C ATOM 281 O ASP X 17 12.159 -3.692 3.892 1.00 0.00 O ATOM 282 CB ASP X 17 14.803 -5.275 4.885 1.00 0.00 C ATOM 283 CG ASP X 17 14.898 -5.064 6.380 1.00 0.00 C ATOM 284 OD1 ASP X 17 15.116 -6.044 7.121 1.00 0.00 O ATOM 285 OD2 ASP X 17 14.766 -3.934 6.838 1.00 0.00 O ATOM 0 H ASP X 17 13.736 -5.411 2.381 1.00 0.00 H new ATOM 0 HA ASP X 17 13.092 -6.566 5.018 1.00 0.00 H new ATOM 0 HB2 ASP X 17 15.525 -6.034 4.584 1.00 0.00 H new ATOM 0 HB3 ASP X 17 15.079 -4.352 4.375 1.00 0.00 H new ATOM 290 N PHE X 18 11.754 -4.734 5.847 1.00 0.00 N ATOM 291 CA PHE X 18 10.719 -3.809 6.352 1.00 0.00 C ATOM 292 C PHE X 18 11.255 -2.682 7.268 1.00 0.00 C ATOM 293 O PHE X 18 10.485 -2.109 8.038 1.00 0.00 O ATOM 294 CB PHE X 18 9.614 -4.578 7.103 1.00 0.00 C ATOM 295 CG PHE X 18 8.497 -5.168 6.263 1.00 0.00 C ATOM 296 CD1 PHE X 18 8.375 -4.899 4.905 1.00 0.00 C ATOM 297 CD2 PHE X 18 7.532 -5.966 6.862 1.00 0.00 C ATOM 298 CE1 PHE X 18 7.323 -5.414 4.179 1.00 0.00 C ATOM 299 CE2 PHE X 18 6.477 -6.477 6.136 1.00 0.00 C ATOM 300 CZ PHE X 18 6.372 -6.200 4.795 1.00 0.00 C ATOM 0 H PHE X 18 11.942 -5.505 6.487 1.00 0.00 H new ATOM 0 HA PHE X 18 10.319 -3.328 5.459 1.00 0.00 H new ATOM 0 HB2 PHE X 18 10.084 -5.388 7.661 1.00 0.00 H new ATOM 0 HB3 PHE X 18 9.169 -3.904 7.835 1.00 0.00 H new ATOM 0 HD1 PHE X 18 9.112 -4.280 4.414 1.00 0.00 H new ATOM 0 HD2 PHE X 18 7.609 -6.191 7.916 1.00 0.00 H new ATOM 0 HE1 PHE X 18 7.243 -5.201 3.123 1.00 0.00 H new ATOM 0 HE2 PHE X 18 5.735 -7.094 6.621 1.00 0.00 H new ATOM 0 HZ PHE X 18 5.546 -6.597 4.224 1.00 0.00 H new ATOM 310 N ASP X 19 12.540 -2.310 7.137 1.00 0.00 N ATOM 311 CA ASP X 19 13.153 -1.169 7.928 1.00 0.00 C ATOM 312 C ASP X 19 12.349 0.118 7.714 1.00 0.00 C ATOM 313 O ASP X 19 12.294 1.016 8.559 1.00 0.00 O ATOM 314 CB ASP X 19 14.602 -0.905 7.462 1.00 0.00 C ATOM 315 CG ASP X 19 14.687 -0.249 6.082 1.00 0.00 C ATOM 316 OD1 ASP X 19 14.234 -0.851 5.073 1.00 0.00 O ATOM 317 OD2 ASP X 19 15.213 0.877 5.974 1.00 0.00 O ATOM 0 H ASP X 19 13.193 -2.766 6.499 1.00 0.00 H new ATOM 0 HA ASP X 19 13.143 -1.452 8.981 1.00 0.00 H new ATOM 0 HB2 ASP X 19 15.099 -0.266 8.191 1.00 0.00 H new ATOM 0 HB3 ASP X 19 15.147 -1.849 7.442 1.00 0.00 H new ATOM 322 N LYS X 20 11.714 0.149 6.586 1.00 0.00 N ATOM 323 CA LYS X 20 10.874 1.216 6.108 1.00 0.00 C ATOM 324 C LYS X 20 9.595 1.439 6.960 1.00 0.00 C ATOM 325 O LYS X 20 8.859 2.368 6.714 1.00 0.00 O ATOM 326 CB LYS X 20 10.615 0.998 4.610 1.00 0.00 C ATOM 327 CG LYS X 20 10.313 -0.459 4.242 1.00 0.00 C ATOM 328 CD LYS X 20 10.391 -0.714 2.746 1.00 0.00 C ATOM 329 CE LYS X 20 11.793 -0.457 2.168 1.00 0.00 C ATOM 330 NZ LYS X 20 12.872 -1.267 2.807 1.00 0.00 N ATOM 0 H LYS X 20 11.769 -0.624 5.922 1.00 0.00 H new ATOM 0 HA LYS X 20 11.398 2.164 6.229 1.00 0.00 H new ATOM 0 HB2 LYS X 20 9.777 1.623 4.301 1.00 0.00 H new ATOM 0 HB3 LYS X 20 11.487 1.332 4.047 1.00 0.00 H new ATOM 0 HG2 LYS X 20 11.018 -1.113 4.755 1.00 0.00 H new ATOM 0 HG3 LYS X 20 9.317 -0.721 4.600 1.00 0.00 H new ATOM 0 HD2 LYS X 20 10.103 -1.745 2.543 1.00 0.00 H new ATOM 0 HD3 LYS X 20 9.670 -0.075 2.235 1.00 0.00 H new ATOM 0 HE2 LYS X 20 11.778 -0.669 1.099 1.00 0.00 H new ATOM 0 HE3 LYS X 20 12.032 0.601 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 13.641 -1.421 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 13.242 -0.760 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 12.486 -2.185 3.106 1.00 0.00 H new ATOM 344 N SER X 21 9.374 0.557 7.954 1.00 0.00 N ATOM 345 CA SER X 21 8.356 0.723 9.009 1.00 0.00 C ATOM 346 C SER X 21 6.892 0.764 8.528 1.00 0.00 C ATOM 347 O SER X 21 6.363 1.801 8.024 1.00 0.00 O ATOM 348 CB SER X 21 8.698 1.920 9.880 1.00 0.00 C ATOM 349 OG SER X 21 10.026 1.777 10.405 1.00 0.00 O ATOM 0 H SER X 21 9.908 -0.307 8.048 1.00 0.00 H new ATOM 0 HA SER X 21 8.401 -0.192 9.600 1.00 0.00 H new ATOM 0 HB2 SER X 21 8.625 2.838 9.297 1.00 0.00 H new ATOM 0 HB3 SER X 21 7.981 2.003 10.697 1.00 0.00 H new ATOM 0 HG SER X 21 10.662 1.686 9.665 1.00 0.00 H new ATOM 355 N PHE X 22 6.239 -0.363 8.684 1.00 0.00 N ATOM 356 CA PHE X 22 4.862 -0.521 8.294 1.00 0.00 C ATOM 357 C PHE X 22 4.071 -0.912 9.517 1.00 0.00 C ATOM 358 O PHE X 22 4.630 -1.467 10.469 1.00 0.00 O ATOM 359 CB PHE X 22 4.719 -1.624 7.222 1.00 0.00 C ATOM 360 CG PHE X 22 5.503 -1.367 5.963 1.00 0.00 C ATOM 361 CD1 PHE X 22 5.945 -0.107 5.666 1.00 0.00 C ATOM 362 CD2 PHE X 22 5.798 -2.380 5.097 1.00 0.00 C ATOM 363 CE1 PHE X 22 6.651 0.162 4.557 1.00 0.00 C ATOM 364 CE2 PHE X 22 6.518 -2.122 3.952 1.00 0.00 C ATOM 365 CZ PHE X 22 6.943 -0.845 3.680 1.00 0.00 C ATOM 0 H PHE X 22 6.654 -1.202 9.089 1.00 0.00 H new ATOM 0 HA PHE X 22 4.494 0.415 7.874 1.00 0.00 H new ATOM 0 HB2 PHE X 22 5.040 -2.574 7.649 1.00 0.00 H new ATOM 0 HB3 PHE X 22 3.665 -1.731 6.965 1.00 0.00 H new ATOM 0 HD1 PHE X 22 5.718 0.699 6.348 1.00 0.00 H new ATOM 0 HD2 PHE X 22 5.466 -3.385 5.310 1.00 0.00 H new ATOM 0 HE1 PHE X 22 6.987 1.169 4.358 1.00 0.00 H new ATOM 0 HE2 PHE X 22 6.749 -2.925 3.267 1.00 0.00 H new ATOM 0 HZ PHE X 22 7.503 -0.638 2.780 1.00 0.00 H new ATOM 375 N LYS X 23 2.813 -0.610 9.520 1.00 0.00 N ATOM 376 CA LYS X 23 1.955 -0.977 10.626 1.00 0.00 C ATOM 377 C LYS X 23 0.927 -1.972 10.133 1.00 0.00 C ATOM 378 O LYS X 23 0.429 -1.831 9.009 1.00 0.00 O ATOM 379 CB LYS X 23 1.261 0.257 11.210 1.00 0.00 C ATOM 380 CG LYS X 23 2.209 1.309 11.775 1.00 0.00 C ATOM 381 CD LYS X 23 1.496 2.590 12.268 1.00 0.00 C ATOM 382 CE LYS X 23 0.656 2.415 13.548 1.00 0.00 C ATOM 383 NZ LYS X 23 -0.586 1.617 13.376 1.00 0.00 N ATOM 0 H LYS X 23 2.343 -0.106 8.768 1.00 0.00 H new ATOM 0 HA LYS X 23 2.557 -1.425 11.417 1.00 0.00 H new ATOM 0 HB2 LYS X 23 0.651 0.717 10.433 1.00 0.00 H new ATOM 0 HB3 LYS X 23 0.582 -0.064 12.000 1.00 0.00 H new ATOM 0 HG2 LYS X 23 2.768 0.874 12.603 1.00 0.00 H new ATOM 0 HG3 LYS X 23 2.935 1.580 11.008 1.00 0.00 H new ATOM 0 HD2 LYS X 23 2.247 3.360 12.446 1.00 0.00 H new ATOM 0 HD3 LYS X 23 0.847 2.956 11.472 1.00 0.00 H new ATOM 0 HE2 LYS X 23 1.274 1.939 14.309 1.00 0.00 H new ATOM 0 HE3 LYS X 23 0.388 3.401 13.927 1.00 0.00 H new ATOM 0 HZ1 LYS X 23 -1.347 2.030 13.953 1.00 0.00 H new ATOM 0 HZ2 LYS X 23 -0.868 1.625 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS X 23 -0.414 0.637 13.680 1.00 0.00 H new ATOM 397 N LYS X 24 0.624 -2.966 10.940 1.00 0.00 N ATOM 398 CA LYS X 24 -0.327 -3.979 10.556 1.00 0.00 C ATOM 399 C LYS X 24 -1.468 -4.077 11.519 1.00 0.00 C ATOM 400 O LYS X 24 -1.291 -4.307 12.722 1.00 0.00 O ATOM 401 CB LYS X 24 0.348 -5.378 10.323 1.00 0.00 C ATOM 402 CG LYS X 24 -0.588 -6.588 10.005 1.00 0.00 C ATOM 403 CD LYS X 24 -1.330 -7.177 11.213 1.00 0.00 C ATOM 404 CE LYS X 24 -0.397 -7.850 12.217 1.00 0.00 C ATOM 405 NZ LYS X 24 0.279 -9.038 11.655 1.00 0.00 N ATOM 0 H LYS X 24 1.026 -3.092 11.869 1.00 0.00 H new ATOM 0 HA LYS X 24 -0.738 -3.660 9.598 1.00 0.00 H new ATOM 0 HB2 LYS X 24 1.057 -5.276 9.501 1.00 0.00 H new ATOM 0 HB3 LYS X 24 0.926 -5.625 11.214 1.00 0.00 H new ATOM 0 HG2 LYS X 24 -1.324 -6.273 9.266 1.00 0.00 H new ATOM 0 HG3 LYS X 24 0.008 -7.376 9.545 1.00 0.00 H new ATOM 0 HD2 LYS X 24 -1.883 -6.383 11.715 1.00 0.00 H new ATOM 0 HD3 LYS X 24 -2.063 -7.904 10.863 1.00 0.00 H new ATOM 0 HE2 LYS X 24 0.353 -7.132 12.548 1.00 0.00 H new ATOM 0 HE3 LYS X 24 -0.968 -8.144 13.098 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 0.484 -9.714 12.418 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 -0.339 -9.488 10.950 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 1.169 -8.749 11.201 1.00 0.00 H new ATOM 419 N SER X 25 -2.602 -3.857 10.993 1.00 0.00 N ATOM 420 CA SER X 25 -3.851 -4.108 11.611 1.00 0.00 C ATOM 421 C SER X 25 -4.762 -4.366 10.449 1.00 0.00 C ATOM 422 O SER X 25 -4.693 -3.612 9.480 1.00 0.00 O ATOM 423 CB SER X 25 -4.275 -2.886 12.445 1.00 0.00 C ATOM 424 OG SER X 25 -4.122 -1.670 11.709 1.00 0.00 O ATOM 0 H SER X 25 -2.698 -3.470 10.054 1.00 0.00 H new ATOM 0 HA SER X 25 -3.850 -4.943 12.311 1.00 0.00 H new ATOM 0 HB2 SER X 25 -5.315 -2.998 12.753 1.00 0.00 H new ATOM 0 HB3 SER X 25 -3.676 -2.840 13.355 1.00 0.00 H new ATOM 0 HG SER X 25 -4.261 -1.845 10.755 1.00 0.00 H new ATOM 430 N SER X 26 -5.559 -5.409 10.446 1.00 0.00 N ATOM 431 CA SER X 26 -6.312 -5.602 9.251 1.00 0.00 C ATOM 432 C SER X 26 -7.675 -4.966 9.394 1.00 0.00 C ATOM 433 O SER X 26 -8.616 -5.525 9.964 1.00 0.00 O ATOM 434 CB SER X 26 -6.397 -7.092 8.955 1.00 0.00 C ATOM 435 OG SER X 26 -5.085 -7.665 8.961 1.00 0.00 O ATOM 0 H SER X 26 -5.693 -6.084 11.199 1.00 0.00 H new ATOM 0 HA SER X 26 -5.821 -5.118 8.407 1.00 0.00 H new ATOM 0 HB2 SER X 26 -7.022 -7.585 9.700 1.00 0.00 H new ATOM 0 HB3 SER X 26 -6.869 -7.253 7.986 1.00 0.00 H new ATOM 0 HG SER X 26 -5.138 -8.600 9.249 1.00 0.00 H new ATOM 441 N ASP X 27 -7.745 -3.779 8.867 1.00 0.00 N ATOM 442 CA ASP X 27 -8.920 -2.962 8.834 1.00 0.00 C ATOM 443 C ASP X 27 -9.060 -2.452 7.460 1.00 0.00 C ATOM 444 O ASP X 27 -8.234 -1.658 7.044 1.00 0.00 O ATOM 445 CB ASP X 27 -8.775 -1.803 9.794 1.00 0.00 C ATOM 446 CG ASP X 27 -8.463 -2.227 11.214 1.00 0.00 C ATOM 447 OD1 ASP X 27 -9.376 -2.637 11.948 1.00 0.00 O ATOM 448 OD2 ASP X 27 -7.289 -2.171 11.619 1.00 0.00 O ATOM 0 H ASP X 27 -6.941 -3.332 8.426 1.00 0.00 H new ATOM 0 HA ASP X 27 -9.796 -3.540 9.128 1.00 0.00 H new ATOM 0 HB2 ASP X 27 -7.983 -1.144 9.438 1.00 0.00 H new ATOM 0 HB3 ASP X 27 -9.698 -1.222 9.791 1.00 0.00 H new ATOM 453 N LEU X 28 -10.047 -2.857 6.734 1.00 0.00 N ATOM 454 CA LEU X 28 -10.143 -2.383 5.373 1.00 0.00 C ATOM 455 C LEU X 28 -10.471 -0.892 5.394 1.00 0.00 C ATOM 456 O LEU X 28 -9.810 -0.113 4.731 1.00 0.00 O ATOM 457 CB LEU X 28 -11.185 -3.217 4.584 1.00 0.00 C ATOM 458 CG LEU X 28 -11.232 -3.097 3.035 1.00 0.00 C ATOM 459 CD1 LEU X 28 -12.153 -4.155 2.483 1.00 0.00 C ATOM 460 CD2 LEU X 28 -11.720 -1.735 2.565 1.00 0.00 C ATOM 0 H LEU X 28 -10.783 -3.495 7.036 1.00 0.00 H new ATOM 0 HA LEU X 28 -9.193 -2.511 4.855 1.00 0.00 H new ATOM 0 HB2 LEU X 28 -11.019 -4.266 4.827 1.00 0.00 H new ATOM 0 HB3 LEU X 28 -12.172 -2.954 4.964 1.00 0.00 H new ATOM 0 HG LEU X 28 -10.213 -3.228 2.672 1.00 0.00 H new ATOM 0 HD11 LEU X 28 -12.189 -4.075 1.397 1.00 0.00 H new ATOM 0 HD12 LEU X 28 -11.783 -5.141 2.762 1.00 0.00 H new ATOM 0 HD13 LEU X 28 -13.154 -4.015 2.891 1.00 0.00 H new ATOM 0 HD21 LEU X 28 -11.732 -1.709 1.475 1.00 0.00 H new ATOM 0 HD22 LEU X 28 -12.727 -1.559 2.943 1.00 0.00 H new ATOM 0 HD23 LEU X 28 -11.051 -0.960 2.939 1.00 0.00 H new ATOM 472 N ASP X 29 -11.457 -0.502 6.166 1.00 0.00 N ATOM 473 CA ASP X 29 -11.791 0.913 6.297 1.00 0.00 C ATOM 474 C ASP X 29 -10.639 1.663 6.931 1.00 0.00 C ATOM 475 O ASP X 29 -10.105 2.643 6.389 1.00 0.00 O ATOM 476 CB ASP X 29 -12.993 1.090 7.216 1.00 0.00 C ATOM 477 CG ASP X 29 -14.252 0.416 6.721 1.00 0.00 C ATOM 478 OD1 ASP X 29 -14.460 -0.775 7.012 1.00 0.00 O ATOM 479 OD2 ASP X 29 -15.058 1.050 6.014 1.00 0.00 O ATOM 0 H ASP X 29 -12.044 -1.132 6.713 1.00 0.00 H new ATOM 0 HA ASP X 29 -12.006 1.296 5.299 1.00 0.00 H new ATOM 0 HB2 ASP X 29 -12.745 0.695 8.201 1.00 0.00 H new ATOM 0 HB3 ASP X 29 -13.188 2.155 7.340 1.00 0.00 H new ATOM 484 N GLU X 30 -10.204 1.121 8.060 1.00 0.00 N ATOM 485 CA GLU X 30 -9.213 1.757 8.881 1.00 0.00 C ATOM 486 C GLU X 30 -7.858 1.923 8.259 1.00 0.00 C ATOM 487 O GLU X 30 -7.202 2.916 8.467 1.00 0.00 O ATOM 488 CB GLU X 30 -9.240 1.381 10.355 1.00 0.00 C ATOM 489 CG GLU X 30 -10.631 1.563 10.950 1.00 0.00 C ATOM 490 CD GLU X 30 -10.658 1.527 12.443 1.00 0.00 C ATOM 491 OE1 GLU X 30 -10.484 2.580 13.052 1.00 0.00 O ATOM 492 OE2 GLU X 30 -10.874 0.464 13.031 1.00 0.00 O ATOM 0 H GLU X 30 -10.536 0.227 8.423 1.00 0.00 H new ATOM 0 HA GLU X 30 -9.561 2.790 8.913 1.00 0.00 H new ATOM 0 HB2 GLU X 30 -8.925 0.344 10.473 1.00 0.00 H new ATOM 0 HB3 GLU X 30 -8.525 1.996 10.902 1.00 0.00 H new ATOM 0 HG2 GLU X 30 -11.039 2.515 10.611 1.00 0.00 H new ATOM 0 HG3 GLU X 30 -11.286 0.781 10.565 1.00 0.00 H new ATOM 499 N CYS X 31 -7.403 0.931 7.553 1.00 0.00 N ATOM 500 CA CYS X 31 -6.098 1.040 6.867 1.00 0.00 C ATOM 501 C CYS X 31 -6.081 2.205 5.917 1.00 0.00 C ATOM 502 O CYS X 31 -5.130 2.991 5.892 1.00 0.00 O ATOM 503 CB CYS X 31 -5.709 -0.234 6.096 1.00 0.00 C ATOM 504 SG CYS X 31 -5.159 -1.653 7.070 1.00 0.00 S ATOM 0 H CYS X 31 -7.886 0.042 7.423 1.00 0.00 H new ATOM 0 HA CYS X 31 -5.365 1.190 7.660 1.00 0.00 H new ATOM 0 HB2 CYS X 31 -6.568 -0.545 5.502 1.00 0.00 H new ATOM 0 HB3 CYS X 31 -4.914 0.024 5.396 1.00 0.00 H new ATOM 509 N LYS X 32 -7.133 2.320 5.163 1.00 0.00 N ATOM 510 CA LYS X 32 -7.241 3.328 4.153 1.00 0.00 C ATOM 511 C LYS X 32 -7.240 4.657 4.801 1.00 0.00 C ATOM 512 O LYS X 32 -6.517 5.556 4.393 1.00 0.00 O ATOM 513 CB LYS X 32 -8.462 3.112 3.259 1.00 0.00 C ATOM 514 CG LYS X 32 -8.377 1.949 2.257 1.00 0.00 C ATOM 515 CD LYS X 32 -7.751 0.676 2.809 1.00 0.00 C ATOM 516 CE LYS X 32 -7.769 -0.433 1.752 1.00 0.00 C ATOM 517 NZ LYS X 32 -6.999 -1.631 2.145 1.00 0.00 N ATOM 0 H LYS X 32 -7.948 1.711 5.233 1.00 0.00 H new ATOM 0 HA LYS X 32 -6.380 3.265 3.487 1.00 0.00 H new ATOM 0 HB2 LYS X 32 -9.330 2.949 3.899 1.00 0.00 H new ATOM 0 HB3 LYS X 32 -8.644 4.031 2.702 1.00 0.00 H new ATOM 0 HG2 LYS X 32 -9.382 1.719 1.903 1.00 0.00 H new ATOM 0 HG3 LYS X 32 -7.800 2.275 1.391 1.00 0.00 H new ATOM 0 HD2 LYS X 32 -6.725 0.873 3.120 1.00 0.00 H new ATOM 0 HD3 LYS X 32 -8.296 0.351 3.695 1.00 0.00 H new ATOM 0 HE2 LYS X 32 -8.802 -0.722 1.557 1.00 0.00 H new ATOM 0 HE3 LYS X 32 -7.366 -0.041 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS X 32 -7.347 -2.456 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS X 32 -5.992 -1.482 1.931 1.00 0.00 H new ATOM 0 HZ3 LYS X 32 -7.115 -1.799 3.165 1.00 0.00 H new ATOM 531 N LYS X 33 -8.013 4.737 5.877 1.00 0.00 N ATOM 532 CA LYS X 33 -8.141 5.940 6.638 1.00 0.00 C ATOM 533 C LYS X 33 -6.756 6.333 7.202 1.00 0.00 C ATOM 534 O LYS X 33 -6.371 7.497 7.169 1.00 0.00 O ATOM 535 CB LYS X 33 -9.198 5.794 7.775 1.00 0.00 C ATOM 536 CG LYS X 33 -8.610 5.413 9.105 1.00 0.00 C ATOM 537 CD LYS X 33 -9.617 5.352 10.224 1.00 0.00 C ATOM 538 CE LYS X 33 -8.899 5.182 11.553 1.00 0.00 C ATOM 539 NZ LYS X 33 -9.830 5.078 12.682 1.00 0.00 N ATOM 0 H LYS X 33 -8.565 3.957 6.235 1.00 0.00 H new ATOM 0 HA LYS X 33 -8.499 6.734 5.983 1.00 0.00 H new ATOM 0 HB2 LYS X 33 -9.735 6.736 7.882 1.00 0.00 H new ATOM 0 HB3 LYS X 33 -9.930 5.041 7.483 1.00 0.00 H new ATOM 0 HG2 LYS X 33 -8.126 4.441 9.012 1.00 0.00 H new ATOM 0 HG3 LYS X 33 -7.834 6.132 9.367 1.00 0.00 H new ATOM 0 HD2 LYS X 33 -10.215 6.263 10.237 1.00 0.00 H new ATOM 0 HD3 LYS X 33 -10.304 4.521 10.062 1.00 0.00 H new ATOM 0 HE2 LYS X 33 -8.277 4.288 11.515 1.00 0.00 H new ATOM 0 HE3 LYS X 33 -8.231 6.028 11.713 1.00 0.00 H new ATOM 0 HZ1 LYS X 33 -9.617 5.821 13.378 1.00 0.00 H new ATOM 0 HZ2 LYS X 33 -10.805 5.194 12.340 1.00 0.00 H new ATOM 0 HZ3 LYS X 33 -9.729 4.145 13.130 1.00 0.00 H new ATOM 553 N THR X 34 -6.011 5.323 7.725 1.00 0.00 N ATOM 554 CA THR X 34 -4.725 5.557 8.293 1.00 0.00 C ATOM 555 C THR X 34 -3.783 6.095 7.240 1.00 0.00 C ATOM 556 O THR X 34 -2.988 7.002 7.494 1.00 0.00 O ATOM 557 CB THR X 34 -4.159 4.317 8.995 1.00 0.00 C ATOM 558 OG1 THR X 34 -5.156 3.813 9.915 1.00 0.00 O ATOM 559 CG2 THR X 34 -2.921 4.700 9.791 1.00 0.00 C ATOM 0 H THR X 34 -6.311 4.348 7.749 1.00 0.00 H new ATOM 0 HA THR X 34 -4.835 6.311 9.072 1.00 0.00 H new ATOM 0 HB THR X 34 -3.900 3.562 8.252 1.00 0.00 H new ATOM 0 HG1 THR X 34 -5.769 3.216 9.438 1.00 0.00 H new ATOM 0 HG21 THR X 34 -2.521 3.817 10.289 1.00 0.00 H new ATOM 0 HG22 THR X 34 -2.168 5.110 9.118 1.00 0.00 H new ATOM 0 HG23 THR X 34 -3.186 5.449 10.538 1.00 0.00 H new ATOM 567 N CYS X 35 -3.839 5.514 6.071 1.00 0.00 N ATOM 568 CA CYS X 35 -3.061 6.046 5.001 1.00 0.00 C ATOM 569 C CYS X 35 -3.405 7.468 4.595 1.00 0.00 C ATOM 570 O CYS X 35 -2.512 8.297 4.435 1.00 0.00 O ATOM 571 CB CYS X 35 -2.723 5.078 3.868 1.00 0.00 C ATOM 572 SG CYS X 35 -1.241 4.068 4.190 1.00 0.00 S ATOM 0 H CYS X 35 -4.402 4.694 5.845 1.00 0.00 H new ATOM 0 HA CYS X 35 -2.081 6.171 5.461 1.00 0.00 H new ATOM 0 HB2 CYS X 35 -3.573 4.417 3.700 1.00 0.00 H new ATOM 0 HB3 CYS X 35 -2.574 5.645 2.949 1.00 0.00 H new ATOM 577 N PHE X 36 -4.683 7.779 4.524 1.00 0.00 N ATOM 578 CA PHE X 36 -5.101 9.114 4.136 1.00 0.00 C ATOM 579 C PHE X 36 -4.641 10.118 5.173 1.00 0.00 C ATOM 580 O PHE X 36 -4.331 11.265 4.836 1.00 0.00 O ATOM 581 CB PHE X 36 -6.630 9.236 4.012 1.00 0.00 C ATOM 582 CG PHE X 36 -7.293 8.286 3.066 1.00 0.00 C ATOM 583 CD1 PHE X 36 -6.637 7.811 1.941 1.00 0.00 C ATOM 584 CD2 PHE X 36 -8.585 7.857 3.314 1.00 0.00 C ATOM 585 CE1 PHE X 36 -7.258 6.930 1.091 1.00 0.00 C ATOM 586 CE2 PHE X 36 -9.209 6.979 2.466 1.00 0.00 C ATOM 587 CZ PHE X 36 -8.547 6.513 1.353 1.00 0.00 C ATOM 0 H PHE X 36 -5.446 7.133 4.728 1.00 0.00 H new ATOM 0 HA PHE X 36 -4.652 9.312 3.163 1.00 0.00 H new ATOM 0 HB2 PHE X 36 -7.066 9.095 5.001 1.00 0.00 H new ATOM 0 HB3 PHE X 36 -6.869 10.253 3.700 1.00 0.00 H new ATOM 0 HD1 PHE X 36 -5.629 8.137 1.732 1.00 0.00 H new ATOM 0 HD2 PHE X 36 -9.108 8.218 4.187 1.00 0.00 H new ATOM 0 HE1 PHE X 36 -6.738 6.564 0.218 1.00 0.00 H new ATOM 0 HE2 PHE X 36 -10.218 6.654 2.671 1.00 0.00 H new ATOM 0 HZ PHE X 36 -9.037 5.821 0.684 1.00 0.00 H new ATOM 597 N LYS X 37 -4.668 9.714 6.433 1.00 0.00 N ATOM 598 CA LYS X 37 -4.313 10.608 7.486 1.00 0.00 C ATOM 599 C LYS X 37 -2.874 11.172 7.487 1.00 0.00 C ATOM 600 O LYS X 37 -2.756 12.396 7.655 1.00 0.00 O ATOM 601 CB LYS X 37 -4.791 10.155 8.885 1.00 0.00 C ATOM 602 CG LYS X 37 -4.129 8.918 9.452 1.00 0.00 C ATOM 603 CD LYS X 37 -4.878 8.373 10.675 1.00 0.00 C ATOM 604 CE LYS X 37 -4.882 9.341 11.854 1.00 0.00 C ATOM 605 NZ LYS X 37 -3.548 9.515 12.459 1.00 0.00 N ATOM 0 H LYS X 37 -4.932 8.776 6.735 1.00 0.00 H new ATOM 0 HA LYS X 37 -4.903 11.486 7.222 1.00 0.00 H new ATOM 0 HB2 LYS X 37 -4.634 10.977 9.583 1.00 0.00 H new ATOM 0 HB3 LYS X 37 -5.865 9.977 8.838 1.00 0.00 H new ATOM 0 HG2 LYS X 37 -4.082 8.147 8.683 1.00 0.00 H new ATOM 0 HG3 LYS X 37 -3.102 9.152 9.731 1.00 0.00 H new ATOM 0 HD2 LYS X 37 -5.907 8.149 10.393 1.00 0.00 H new ATOM 0 HD3 LYS X 37 -4.420 7.434 10.985 1.00 0.00 H new ATOM 0 HE2 LYS X 37 -5.253 10.310 11.521 1.00 0.00 H new ATOM 0 HE3 LYS X 37 -5.575 8.978 12.613 1.00 0.00 H new ATOM 0 HZ1 LYS X 37 -3.612 10.182 13.254 1.00 0.00 H new ATOM 0 HZ2 LYS X 37 -3.201 8.597 12.804 1.00 0.00 H new ATOM 0 HZ3 LYS X 37 -2.889 9.888 11.746 1.00 0.00 H new ATOM 619 N THR X 38 -1.734 10.355 7.392 1.00 0.00 N ATOM 620 CA THR X 38 -0.465 11.129 7.538 1.00 0.00 C ATOM 621 C THR X 38 -0.144 12.003 6.237 1.00 0.00 C ATOM 622 O THR X 38 -1.054 12.399 5.529 1.00 0.00 O ATOM 623 CB THR X 38 0.620 10.040 7.682 1.00 0.00 C ATOM 624 OG1 THR X 38 0.033 8.913 8.355 1.00 0.00 O ATOM 625 CG2 THR X 38 1.795 10.519 8.512 1.00 0.00 C ATOM 0 H THR X 38 -1.681 9.347 7.243 1.00 0.00 H new ATOM 0 HA THR X 38 -0.520 11.823 8.376 1.00 0.00 H new ATOM 0 HB THR X 38 0.983 9.784 6.687 1.00 0.00 H new ATOM 0 HG1 THR X 38 0.704 8.206 8.456 1.00 0.00 H new ATOM 0 HG21 THR X 38 2.535 9.723 8.588 1.00 0.00 H new ATOM 0 HG22 THR X 38 2.246 11.389 8.036 1.00 0.00 H new ATOM 0 HG23 THR X 38 1.449 10.790 9.510 1.00 0.00 H new ATOM 633 N GLU X 39 1.133 12.276 5.879 1.00 0.00 N ATOM 634 CA GLU X 39 1.607 12.461 4.505 1.00 0.00 C ATOM 635 C GLU X 39 1.899 11.203 3.797 1.00 0.00 C ATOM 636 O GLU X 39 1.391 10.850 2.754 1.00 0.00 O ATOM 637 CB GLU X 39 2.731 13.458 4.378 1.00 0.00 C ATOM 638 CG GLU X 39 2.314 14.877 4.656 1.00 0.00 C ATOM 639 CD GLU X 39 3.451 15.825 4.494 1.00 0.00 C ATOM 640 OE1 GLU X 39 4.006 15.918 3.385 1.00 0.00 O ATOM 641 OE2 GLU X 39 3.803 16.520 5.461 1.00 0.00 O ATOM 0 H GLU X 39 1.879 12.375 6.568 1.00 0.00 H new ATOM 0 HA GLU X 39 0.752 12.901 3.991 1.00 0.00 H new ATOM 0 HB2 GLU X 39 3.530 13.182 5.066 1.00 0.00 H new ATOM 0 HB3 GLU X 39 3.144 13.400 3.371 1.00 0.00 H new ATOM 0 HG2 GLU X 39 1.506 15.158 3.980 1.00 0.00 H new ATOM 0 HG3 GLU X 39 1.921 14.949 5.670 1.00 0.00 H new ATOM 648 N TYR X 40 2.776 10.541 4.523 1.00 0.00 N ATOM 649 CA TYR X 40 3.606 9.439 4.134 1.00 0.00 C ATOM 650 C TYR X 40 2.879 8.226 3.787 1.00 0.00 C ATOM 651 O TYR X 40 3.380 7.397 3.026 1.00 0.00 O ATOM 652 CB TYR X 40 4.656 9.150 5.189 1.00 0.00 C ATOM 653 CG TYR X 40 5.449 10.366 5.622 1.00 0.00 C ATOM 654 CD1 TYR X 40 6.416 10.904 4.803 1.00 0.00 C ATOM 655 CD2 TYR X 40 5.229 10.968 6.855 1.00 0.00 C ATOM 656 CE1 TYR X 40 7.148 12.005 5.184 1.00 0.00 C ATOM 657 CE2 TYR X 40 5.957 12.075 7.246 1.00 0.00 C ATOM 658 CZ TYR X 40 6.916 12.586 6.402 1.00 0.00 C ATOM 659 OH TYR X 40 7.650 13.684 6.780 1.00 0.00 O ATOM 0 H TYR X 40 2.935 10.794 5.498 1.00 0.00 H new ATOM 0 HA TYR X 40 4.093 9.761 3.214 1.00 0.00 H new ATOM 0 HB2 TYR X 40 4.168 8.718 6.063 1.00 0.00 H new ATOM 0 HB3 TYR X 40 5.345 8.398 4.804 1.00 0.00 H new ATOM 0 HD1 TYR X 40 6.604 10.452 3.840 1.00 0.00 H new ATOM 0 HD2 TYR X 40 4.478 10.564 7.517 1.00 0.00 H new ATOM 0 HE1 TYR X 40 7.902 12.409 4.525 1.00 0.00 H new ATOM 0 HE2 TYR X 40 5.775 12.535 8.206 1.00 0.00 H new ATOM 0 HH TYR X 40 7.364 13.978 7.670 1.00 0.00 H new ATOM 669 N CYS X 41 1.773 8.044 4.411 1.00 0.00 N ATOM 670 CA CYS X 41 1.083 6.794 4.276 1.00 0.00 C ATOM 671 C CYS X 41 0.393 6.722 2.895 1.00 0.00 C ATOM 672 O CYS X 41 -0.738 7.108 2.718 1.00 0.00 O ATOM 673 CB CYS X 41 0.125 6.623 5.442 1.00 0.00 C ATOM 674 SG CYS X 41 -0.409 4.894 5.867 1.00 0.00 S ATOM 0 H CYS X 41 1.322 8.730 5.016 1.00 0.00 H new ATOM 0 HA CYS X 41 1.782 5.959 4.313 1.00 0.00 H new ATOM 0 HB2 CYS X 41 0.590 7.058 6.326 1.00 0.00 H new ATOM 0 HB3 CYS X 41 -0.769 7.209 5.231 1.00 0.00 H new ATOM 679 N TYR X 42 1.162 6.343 1.908 1.00 0.00 N ATOM 680 CA TYR X 42 0.687 6.222 0.551 1.00 0.00 C ATOM 681 C TYR X 42 1.168 4.934 -0.113 1.00 0.00 C ATOM 682 O TYR X 42 0.817 4.653 -1.261 1.00 0.00 O ATOM 683 CB TYR X 42 1.046 7.487 -0.295 1.00 0.00 C ATOM 684 CG TYR X 42 2.460 8.024 -0.079 1.00 0.00 C ATOM 685 CD1 TYR X 42 3.542 7.180 -0.077 1.00 0.00 C ATOM 686 CD2 TYR X 42 2.692 9.375 0.166 1.00 0.00 C ATOM 687 CE1 TYR X 42 4.808 7.633 0.151 1.00 0.00 C ATOM 688 CE2 TYR X 42 3.976 9.845 0.403 1.00 0.00 C ATOM 689 CZ TYR X 42 5.030 8.958 0.391 1.00 0.00 C ATOM 690 OH TYR X 42 6.318 9.391 0.642 1.00 0.00 O ATOM 0 H TYR X 42 2.147 6.107 2.023 1.00 0.00 H new ATOM 0 HA TYR X 42 -0.400 6.161 0.595 1.00 0.00 H new ATOM 0 HB2 TYR X 42 0.921 7.248 -1.351 1.00 0.00 H new ATOM 0 HB3 TYR X 42 0.333 8.277 -0.061 1.00 0.00 H new ATOM 0 HD1 TYR X 42 3.387 6.127 -0.261 1.00 0.00 H new ATOM 0 HD2 TYR X 42 1.862 10.066 0.172 1.00 0.00 H new ATOM 0 HE1 TYR X 42 5.637 6.941 0.142 1.00 0.00 H new ATOM 0 HE2 TYR X 42 4.147 10.894 0.595 1.00 0.00 H new ATOM 0 HH TYR X 42 6.314 10.359 0.793 1.00 0.00 H new ATOM 700 N ILE X 43 1.958 4.134 0.599 1.00 0.00 N ATOM 701 CA ILE X 43 2.397 2.861 0.028 1.00 0.00 C ATOM 702 C ILE X 43 1.798 1.821 0.908 1.00 0.00 C ATOM 703 O ILE X 43 1.806 1.979 2.112 1.00 0.00 O ATOM 704 CB ILE X 43 3.953 2.649 0.004 1.00 0.00 C ATOM 705 CG1 ILE X 43 4.706 3.858 -0.559 1.00 0.00 C ATOM 706 CG2 ILE X 43 4.311 1.396 -0.795 1.00 0.00 C ATOM 707 CD1 ILE X 43 4.326 4.267 -1.964 1.00 0.00 C ATOM 0 H ILE X 43 2.298 4.333 1.540 1.00 0.00 H new ATOM 0 HA ILE X 43 2.086 2.822 -1.016 1.00 0.00 H new ATOM 0 HB ILE X 43 4.267 2.525 1.040 1.00 0.00 H new ATOM 0 HG12 ILE X 43 4.542 4.707 0.104 1.00 0.00 H new ATOM 0 HG13 ILE X 43 5.774 3.640 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE X 43 5.393 1.265 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE X 43 3.843 0.525 -0.336 1.00 0.00 H new ATOM 0 HG23 ILE X 43 3.953 1.503 -1.819 1.00 0.00 H new ATOM 0 HD11 ILE X 43 4.918 5.132 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE X 43 4.518 3.440 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE X 43 3.267 4.524 -1.994 1.00 0.00 H new ATOM 719 N VAL X 44 1.212 0.819 0.364 1.00 0.00 N ATOM 720 CA VAL X 44 0.588 -0.161 1.196 1.00 0.00 C ATOM 721 C VAL X 44 0.923 -1.544 0.659 1.00 0.00 C ATOM 722 O VAL X 44 1.125 -1.713 -0.562 1.00 0.00 O ATOM 723 CB VAL X 44 -0.946 0.009 1.196 1.00 0.00 C ATOM 724 CG1 VAL X 44 -1.616 -0.699 2.360 1.00 0.00 C ATOM 725 CG2 VAL X 44 -1.419 1.462 1.037 1.00 0.00 C ATOM 0 H VAL X 44 1.147 0.650 -0.640 1.00 0.00 H new ATOM 0 HA VAL X 44 0.955 -0.038 2.215 1.00 0.00 H new ATOM 0 HB VAL X 44 -1.280 -0.496 0.290 1.00 0.00 H new ATOM 0 HG11 VAL X 44 -2.694 -0.545 2.308 1.00 0.00 H new ATOM 0 HG12 VAL X 44 -1.399 -1.766 2.310 1.00 0.00 H new ATOM 0 HG13 VAL X 44 -1.236 -0.295 3.299 1.00 0.00 H new ATOM 0 HG21 VAL X 44 -2.509 1.493 1.047 1.00 0.00 H new ATOM 0 HG22 VAL X 44 -1.031 2.063 1.859 1.00 0.00 H new ATOM 0 HG23 VAL X 44 -1.053 1.862 0.091 1.00 0.00 H new ATOM 735 N PHE X 45 1.046 -2.515 1.527 1.00 0.00 N ATOM 736 CA PHE X 45 1.215 -3.865 1.083 1.00 0.00 C ATOM 737 C PHE X 45 0.208 -4.691 1.801 1.00 0.00 C ATOM 738 O PHE X 45 0.157 -4.692 3.028 1.00 0.00 O ATOM 739 CB PHE X 45 2.624 -4.389 1.397 1.00 0.00 C ATOM 740 CG PHE X 45 3.716 -3.631 0.714 1.00 0.00 C ATOM 741 CD1 PHE X 45 3.965 -3.823 -0.624 1.00 0.00 C ATOM 742 CD2 PHE X 45 4.484 -2.724 1.405 1.00 0.00 C ATOM 743 CE1 PHE X 45 4.956 -3.116 -1.261 1.00 0.00 C ATOM 744 CE2 PHE X 45 5.479 -2.018 0.769 1.00 0.00 C ATOM 745 CZ PHE X 45 5.709 -2.210 -0.563 1.00 0.00 C ATOM 0 H PHE X 45 1.032 -2.392 2.539 1.00 0.00 H new ATOM 0 HA PHE X 45 1.082 -3.916 0.002 1.00 0.00 H new ATOM 0 HB2 PHE X 45 2.785 -4.348 2.474 1.00 0.00 H new ATOM 0 HB3 PHE X 45 2.685 -5.437 1.105 1.00 0.00 H new ATOM 0 HD1 PHE X 45 3.376 -4.537 -1.180 1.00 0.00 H new ATOM 0 HD2 PHE X 45 4.304 -2.564 2.458 1.00 0.00 H new ATOM 0 HE1 PHE X 45 5.141 -3.275 -2.313 1.00 0.00 H new ATOM 0 HE2 PHE X 45 6.079 -1.311 1.324 1.00 0.00 H new ATOM 0 HZ PHE X 45 6.483 -1.649 -1.065 1.00 0.00 H new ATOM 755 N GLU X 46 -0.532 -5.456 1.082 1.00 0.00 N ATOM 756 CA GLU X 46 -1.576 -6.221 1.717 1.00 0.00 C ATOM 757 C GLU X 46 -1.476 -7.667 1.350 1.00 0.00 C ATOM 758 O GLU X 46 -1.257 -8.008 0.182 1.00 0.00 O ATOM 759 CB GLU X 46 -2.946 -5.604 1.460 1.00 0.00 C ATOM 760 CG GLU X 46 -3.035 -4.175 2.034 1.00 0.00 C ATOM 761 CD GLU X 46 -4.417 -3.580 2.100 1.00 0.00 C ATOM 762 OE1 GLU X 46 -5.377 -4.285 2.496 1.00 0.00 O ATOM 763 OE2 GLU X 46 -4.563 -2.376 1.834 1.00 0.00 O ATOM 0 H GLU X 46 -0.448 -5.577 0.073 1.00 0.00 H new ATOM 0 HA GLU X 46 -1.440 -6.181 2.798 1.00 0.00 H new ATOM 0 HB2 GLU X 46 -3.141 -5.580 0.388 1.00 0.00 H new ATOM 0 HB3 GLU X 46 -3.718 -6.228 1.910 1.00 0.00 H new ATOM 0 HG2 GLU X 46 -2.614 -4.181 3.039 1.00 0.00 H new ATOM 0 HG3 GLU X 46 -2.407 -3.521 1.429 1.00 0.00 H new ATOM 770 N ASP X 47 -1.579 -8.502 2.347 1.00 0.00 N ATOM 771 CA ASP X 47 -1.314 -9.923 2.215 1.00 0.00 C ATOM 772 C ASP X 47 -2.586 -10.643 1.939 1.00 0.00 C ATOM 773 O ASP X 47 -3.518 -10.561 2.733 1.00 0.00 O ATOM 774 CB ASP X 47 -0.701 -10.454 3.506 1.00 0.00 C ATOM 775 CG ASP X 47 -0.101 -11.820 3.352 1.00 0.00 C ATOM 776 OD1 ASP X 47 -0.847 -12.787 3.219 1.00 0.00 O ATOM 777 OD2 ASP X 47 1.124 -11.947 3.381 1.00 0.00 O ATOM 0 H ASP X 47 -1.852 -8.220 3.288 1.00 0.00 H new ATOM 0 HA ASP X 47 -0.618 -10.084 1.392 1.00 0.00 H new ATOM 0 HB2 ASP X 47 0.068 -9.762 3.848 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -1.468 -10.485 4.280 1.00 0.00 H new ATOM 782 N THR X 48 -2.638 -11.341 0.843 1.00 0.00 N ATOM 783 CA THR X 48 -3.843 -12.037 0.440 1.00 0.00 C ATOM 784 C THR X 48 -3.950 -13.405 1.146 1.00 0.00 C ATOM 785 O THR X 48 -5.045 -13.936 1.344 1.00 0.00 O ATOM 786 CB THR X 48 -3.854 -12.226 -1.100 1.00 0.00 C ATOM 787 OG1 THR X 48 -3.518 -10.970 -1.730 1.00 0.00 O ATOM 788 CG2 THR X 48 -5.234 -12.658 -1.589 1.00 0.00 C ATOM 0 H THR X 48 -1.854 -11.449 0.199 1.00 0.00 H new ATOM 0 HA THR X 48 -4.704 -11.436 0.733 1.00 0.00 H new ATOM 0 HB THR X 48 -3.129 -12.998 -1.358 1.00 0.00 H new ATOM 0 HG1 THR X 48 -3.521 -11.081 -2.704 1.00 0.00 H new ATOM 0 HG21 THR X 48 -5.214 -12.783 -2.672 1.00 0.00 H new ATOM 0 HG22 THR X 48 -5.507 -13.603 -1.119 1.00 0.00 H new ATOM 0 HG23 THR X 48 -5.968 -11.897 -1.326 1.00 0.00 H new ATOM 796 N VAL X 49 -2.823 -13.932 1.582 1.00 0.00 N ATOM 797 CA VAL X 49 -2.779 -15.263 2.179 1.00 0.00 C ATOM 798 C VAL X 49 -3.243 -15.193 3.628 1.00 0.00 C ATOM 799 O VAL X 49 -4.096 -15.952 4.080 1.00 0.00 O ATOM 800 CB VAL X 49 -1.330 -15.825 2.133 1.00 0.00 C ATOM 801 CG1 VAL X 49 -1.262 -17.238 2.677 1.00 0.00 C ATOM 802 CG2 VAL X 49 -0.774 -15.767 0.721 1.00 0.00 C ATOM 0 H VAL X 49 -1.919 -13.461 1.536 1.00 0.00 H new ATOM 0 HA VAL X 49 -3.438 -15.921 1.613 1.00 0.00 H new ATOM 0 HB VAL X 49 -0.713 -15.195 2.774 1.00 0.00 H new ATOM 0 HG11 VAL X 49 -0.234 -17.597 2.629 1.00 0.00 H new ATOM 0 HG12 VAL X 49 -1.601 -17.246 3.713 1.00 0.00 H new ATOM 0 HG13 VAL X 49 -1.902 -17.889 2.081 1.00 0.00 H new ATOM 0 HG21 VAL X 49 0.241 -16.165 0.713 1.00 0.00 H new ATOM 0 HG22 VAL X 49 -1.402 -16.361 0.058 1.00 0.00 H new ATOM 0 HG23 VAL X 49 -0.761 -14.733 0.377 1.00 0.00 H new ATOM 812 N ASN X 50 -2.717 -14.231 4.305 1.00 0.00 N ATOM 813 CA ASN X 50 -2.985 -13.990 5.709 1.00 0.00 C ATOM 814 C ASN X 50 -4.137 -13.038 5.866 1.00 0.00 C ATOM 815 O ASN X 50 -4.679 -12.894 6.967 1.00 0.00 O ATOM 816 CB ASN X 50 -1.745 -13.383 6.377 1.00 0.00 C ATOM 817 CG ASN X 50 -0.544 -14.298 6.389 1.00 0.00 C ATOM 818 OD1 ASN X 50 0.240 -14.270 5.340 1.00 0.00 O flip ATOM 819 ND2 ASN X 50 -0.327 -15.041 7.346 1.00 0.00 N flip ATOM 0 H ASN X 50 -2.065 -13.560 3.897 1.00 0.00 H new ATOM 0 HA ASN X 50 -3.235 -14.940 6.181 1.00 0.00 H new ATOM 0 HB2 ASN X 50 -1.481 -12.461 5.860 1.00 0.00 H new ATOM 0 HB3 ASN X 50 -1.993 -13.113 7.403 1.00 0.00 H new ATOM 0 HD21 ASN X 50 -0.958 -15.038 8.147 1.00 0.00 H new ATOM 0 HD22 ASN X 50 0.484 -15.660 7.338 1.00 0.00 H new ATOM 826 N LYS X 51 -4.504 -12.379 4.756 1.00 0.00 N ATOM 827 CA LYS X 51 -5.562 -11.354 4.726 1.00 0.00 C ATOM 828 C LYS X 51 -5.201 -10.184 5.628 1.00 0.00 C ATOM 829 O LYS X 51 -6.070 -9.515 6.181 1.00 0.00 O ATOM 830 CB LYS X 51 -6.941 -11.940 5.093 1.00 0.00 C ATOM 831 CG LYS X 51 -7.537 -12.877 4.040 1.00 0.00 C ATOM 832 CD LYS X 51 -7.785 -12.165 2.698 1.00 0.00 C ATOM 833 CE LYS X 51 -8.722 -10.962 2.849 1.00 0.00 C ATOM 834 NZ LYS X 51 -9.012 -10.307 1.557 1.00 0.00 N ATOM 0 H LYS X 51 -4.072 -12.543 3.847 1.00 0.00 H new ATOM 0 HA LYS X 51 -5.636 -10.986 3.703 1.00 0.00 H new ATOM 0 HB2 LYS X 51 -6.851 -12.483 6.034 1.00 0.00 H new ATOM 0 HB3 LYS X 51 -7.636 -11.118 5.264 1.00 0.00 H new ATOM 0 HG2 LYS X 51 -6.863 -13.719 3.883 1.00 0.00 H new ATOM 0 HG3 LYS X 51 -8.477 -13.286 4.411 1.00 0.00 H new ATOM 0 HD2 LYS X 51 -6.833 -11.833 2.283 1.00 0.00 H new ATOM 0 HD3 LYS X 51 -8.214 -12.871 1.987 1.00 0.00 H new ATOM 0 HE2 LYS X 51 -9.657 -11.288 3.305 1.00 0.00 H new ATOM 0 HE3 LYS X 51 -8.272 -10.237 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 -9.649 -9.500 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 -8.125 -9.971 1.131 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 -9.467 -10.989 0.916 1.00 0.00 H new ATOM 848 N GLU X 52 -3.917 -9.897 5.698 1.00 0.00 N ATOM 849 CA GLU X 52 -3.426 -8.871 6.594 1.00 0.00 C ATOM 850 C GLU X 52 -3.085 -7.603 5.853 1.00 0.00 C ATOM 851 O GLU X 52 -2.869 -7.622 4.638 1.00 0.00 O ATOM 852 CB GLU X 52 -2.261 -9.372 7.454 1.00 0.00 C ATOM 853 CG GLU X 52 -2.666 -10.533 8.341 1.00 0.00 C ATOM 854 CD GLU X 52 -1.633 -10.914 9.364 1.00 0.00 C ATOM 855 OE1 GLU X 52 -0.757 -11.735 9.078 1.00 0.00 O ATOM 856 OE2 GLU X 52 -1.702 -10.397 10.505 1.00 0.00 O ATOM 0 H GLU X 52 -3.195 -10.360 5.145 1.00 0.00 H new ATOM 0 HA GLU X 52 -4.236 -8.628 7.281 1.00 0.00 H new ATOM 0 HB2 GLU X 52 -1.439 -9.680 6.807 1.00 0.00 H new ATOM 0 HB3 GLU X 52 -1.890 -8.555 8.073 1.00 0.00 H new ATOM 0 HG2 GLU X 52 -3.593 -10.278 8.854 1.00 0.00 H new ATOM 0 HG3 GLU X 52 -2.877 -11.399 7.714 1.00 0.00 H new ATOM 863 N CYS X 53 -2.990 -6.524 6.578 1.00 0.00 N ATOM 864 CA CYS X 53 -2.830 -5.230 5.993 1.00 0.00 C ATOM 865 C CYS X 53 -1.645 -4.553 6.602 1.00 0.00 C ATOM 866 O CYS X 53 -1.590 -4.389 7.820 1.00 0.00 O ATOM 867 CB CYS X 53 -4.100 -4.401 6.255 1.00 0.00 C ATOM 868 SG CYS X 53 -4.020 -2.664 5.713 1.00 0.00 S ATOM 0 H CYS X 53 -3.022 -6.522 7.597 1.00 0.00 H new ATOM 0 HA CYS X 53 -2.673 -5.324 4.918 1.00 0.00 H new ATOM 0 HB2 CYS X 53 -4.939 -4.883 5.753 1.00 0.00 H new ATOM 0 HB3 CYS X 53 -4.314 -4.422 7.324 1.00 0.00 H new ATOM 873 N TYR X 54 -0.677 -4.210 5.786 1.00 0.00 N ATOM 874 CA TYR X 54 0.462 -3.482 6.254 1.00 0.00 C ATOM 875 C TYR X 54 0.513 -2.212 5.468 1.00 0.00 C ATOM 876 O TYR X 54 0.546 -2.230 4.240 1.00 0.00 O ATOM 877 CB TYR X 54 1.774 -4.269 6.017 1.00 0.00 C ATOM 878 CG TYR X 54 1.972 -5.523 6.858 1.00 0.00 C ATOM 879 CD1 TYR X 54 1.115 -6.609 6.757 1.00 0.00 C ATOM 880 CD2 TYR X 54 3.050 -5.626 7.727 1.00 0.00 C ATOM 881 CE1 TYR X 54 1.318 -7.757 7.499 1.00 0.00 C ATOM 882 CE2 TYR X 54 3.259 -6.770 8.475 1.00 0.00 C ATOM 883 CZ TYR X 54 2.389 -7.832 8.354 1.00 0.00 C ATOM 884 OH TYR X 54 2.583 -8.966 9.107 1.00 0.00 O ATOM 0 H TYR X 54 -0.662 -4.428 4.790 1.00 0.00 H new ATOM 0 HA TYR X 54 0.371 -3.304 7.325 1.00 0.00 H new ATOM 0 HB2 TYR X 54 1.817 -4.552 4.965 1.00 0.00 H new ATOM 0 HB3 TYR X 54 2.613 -3.598 6.201 1.00 0.00 H new ATOM 0 HD1 TYR X 54 0.272 -6.556 6.085 1.00 0.00 H new ATOM 0 HD2 TYR X 54 3.737 -4.798 7.820 1.00 0.00 H new ATOM 0 HE1 TYR X 54 0.638 -8.591 7.407 1.00 0.00 H new ATOM 0 HE2 TYR X 54 4.100 -6.831 9.150 1.00 0.00 H new ATOM 0 HH TYR X 54 3.386 -8.859 9.659 1.00 0.00 H new ATOM 894 N TYR X 55 0.574 -1.136 6.136 1.00 0.00 N ATOM 895 CA TYR X 55 0.593 0.125 5.468 1.00 0.00 C ATOM 896 C TYR X 55 1.864 0.875 5.761 1.00 0.00 C ATOM 897 O TYR X 55 2.321 0.919 6.918 1.00 0.00 O ATOM 898 CB TYR X 55 -0.715 0.937 5.734 1.00 0.00 C ATOM 899 CG TYR X 55 -1.157 1.002 7.185 1.00 0.00 C ATOM 900 CD1 TYR X 55 -0.634 1.932 8.052 1.00 0.00 C ATOM 901 CD2 TYR X 55 -2.114 0.116 7.675 1.00 0.00 C ATOM 902 CE1 TYR X 55 -1.041 1.988 9.367 1.00 0.00 C ATOM 903 CE2 TYR X 55 -2.530 0.164 8.990 1.00 0.00 C ATOM 904 CZ TYR X 55 -1.989 1.104 9.832 1.00 0.00 C ATOM 905 OH TYR X 55 -2.394 1.158 11.156 1.00 0.00 O ATOM 0 H TYR X 55 0.613 -1.087 7.154 1.00 0.00 H new ATOM 0 HA TYR X 55 0.600 -0.049 4.392 1.00 0.00 H new ATOM 0 HB2 TYR X 55 -0.571 1.954 5.370 1.00 0.00 H new ATOM 0 HB3 TYR X 55 -1.521 0.498 5.146 1.00 0.00 H new ATOM 0 HD1 TYR X 55 0.109 2.631 7.696 1.00 0.00 H new ATOM 0 HD2 TYR X 55 -2.539 -0.623 7.012 1.00 0.00 H new ATOM 0 HE1 TYR X 55 -0.617 2.725 10.033 1.00 0.00 H new ATOM 0 HE2 TYR X 55 -3.273 -0.530 9.353 1.00 0.00 H new ATOM 0 HH TYR X 55 -2.926 0.363 11.368 1.00 0.00 H new ATOM 915 N ASN X 56 2.473 1.388 4.703 1.00 0.00 N ATOM 916 CA ASN X 56 3.735 2.162 4.807 1.00 0.00 C ATOM 917 C ASN X 56 3.471 3.477 5.409 1.00 0.00 C ATOM 918 O ASN X 56 2.736 4.298 4.823 1.00 0.00 O ATOM 919 CB ASN X 56 4.408 2.321 3.435 1.00 0.00 C ATOM 920 CG ASN X 56 5.464 3.425 3.367 1.00 0.00 C ATOM 921 OD1 ASN X 56 6.642 3.216 3.644 1.00 0.00 O ATOM 922 ND2 ASN X 56 5.043 4.600 2.977 1.00 0.00 N ATOM 0 H ASN X 56 2.124 1.290 3.750 1.00 0.00 H new ATOM 0 HA ASN X 56 4.421 1.610 5.449 1.00 0.00 H new ATOM 0 HB2 ASN X 56 4.873 1.374 3.162 1.00 0.00 H new ATOM 0 HB3 ASN X 56 3.639 2.525 2.690 1.00 0.00 H new ATOM 0 HD21 ASN X 56 5.700 5.376 2.895 1.00 0.00 H new ATOM 0 HD22 ASN X 56 4.058 4.741 2.754 1.00 0.00 H new ATOM 929 N VAL X 57 4.108 3.713 6.544 1.00 0.00 N ATOM 930 CA VAL X 57 3.812 4.914 7.304 1.00 0.00 C ATOM 931 C VAL X 57 4.904 5.944 7.207 1.00 0.00 C ATOM 932 O VAL X 57 4.759 7.064 7.708 1.00 0.00 O ATOM 933 CB VAL X 57 3.492 4.619 8.795 1.00 0.00 C ATOM 934 CG1 VAL X 57 2.316 3.683 8.902 1.00 0.00 C ATOM 935 CG2 VAL X 57 4.696 4.050 9.539 1.00 0.00 C ATOM 0 H VAL X 57 4.817 3.104 6.952 1.00 0.00 H new ATOM 0 HA VAL X 57 2.915 5.326 6.843 1.00 0.00 H new ATOM 0 HB VAL X 57 3.239 5.568 9.268 1.00 0.00 H new ATOM 0 HG11 VAL X 57 2.103 3.485 9.952 1.00 0.00 H new ATOM 0 HG12 VAL X 57 1.444 4.140 8.435 1.00 0.00 H new ATOM 0 HG13 VAL X 57 2.550 2.746 8.396 1.00 0.00 H new ATOM 0 HG21 VAL X 57 4.425 3.859 10.577 1.00 0.00 H new ATOM 0 HG22 VAL X 57 5.007 3.118 9.068 1.00 0.00 H new ATOM 0 HG23 VAL X 57 5.517 4.766 9.504 1.00 0.00 H new ATOM 945 N VAL X 58 5.990 5.597 6.577 1.00 0.00 N ATOM 946 CA VAL X 58 7.096 6.539 6.468 1.00 0.00 C ATOM 947 C VAL X 58 7.223 6.978 5.001 1.00 0.00 C ATOM 948 O VAL X 58 6.432 6.573 4.157 1.00 0.00 O ATOM 949 CB VAL X 58 8.447 5.934 7.027 1.00 0.00 C ATOM 950 CG1 VAL X 58 9.514 6.997 7.317 1.00 0.00 C ATOM 951 CG2 VAL X 58 8.209 5.094 8.263 1.00 0.00 C ATOM 0 H VAL X 58 6.144 4.691 6.135 1.00 0.00 H new ATOM 0 HA VAL X 58 6.888 7.412 7.087 1.00 0.00 H new ATOM 0 HB VAL X 58 8.832 5.298 6.230 1.00 0.00 H new ATOM 0 HG11 VAL X 58 10.414 6.514 7.697 1.00 0.00 H new ATOM 0 HG12 VAL X 58 9.751 7.535 6.399 1.00 0.00 H new ATOM 0 HG13 VAL X 58 9.136 7.698 8.061 1.00 0.00 H new ATOM 0 HG21 VAL X 58 9.158 4.694 8.620 1.00 0.00 H new ATOM 0 HG22 VAL X 58 7.760 5.711 9.041 1.00 0.00 H new ATOM 0 HG23 VAL X 58 7.537 4.271 8.020 1.00 0.00 H new ATOM 961 N ASP X 59 8.162 7.820 4.729 1.00 0.00 N ATOM 962 CA ASP X 59 8.409 8.366 3.425 1.00 0.00 C ATOM 963 C ASP X 59 8.859 7.263 2.525 1.00 0.00 C ATOM 964 O ASP X 59 9.919 6.661 2.720 1.00 0.00 O ATOM 965 CB ASP X 59 9.454 9.464 3.531 1.00 0.00 C ATOM 966 CG ASP X 59 9.768 10.139 2.229 1.00 0.00 C ATOM 967 OD1 ASP X 59 9.009 11.059 1.808 1.00 0.00 O ATOM 968 OD2 ASP X 59 10.793 9.797 1.608 1.00 0.00 O ATOM 0 H ASP X 59 8.810 8.166 5.437 1.00 0.00 H new ATOM 0 HA ASP X 59 7.503 8.806 3.008 1.00 0.00 H new ATOM 0 HB2 ASP X 59 9.107 10.214 4.242 1.00 0.00 H new ATOM 0 HB3 ASP X 59 10.372 9.039 3.938 1.00 0.00 H new ATOM 973 N GLY X 60 8.034 6.956 1.603 1.00 0.00 N ATOM 974 CA GLY X 60 8.262 5.866 0.753 1.00 0.00 C ATOM 975 C GLY X 60 7.744 6.087 -0.631 1.00 0.00 C ATOM 976 O GLY X 60 7.402 5.146 -1.300 1.00 0.00 O ATOM 0 H GLY X 60 7.169 7.464 1.417 1.00 0.00 H new ATOM 0 HA2 GLY X 60 9.332 5.666 0.707 1.00 0.00 H new ATOM 0 HA3 GLY X 60 7.790 4.979 1.174 1.00 0.00 H new ATOM 980 N GLU X 61 7.685 7.332 -1.083 1.00 0.00 N ATOM 981 CA GLU X 61 7.347 7.600 -2.490 1.00 0.00 C ATOM 982 C GLU X 61 8.529 7.098 -3.303 1.00 0.00 C ATOM 983 O GLU X 61 8.426 6.709 -4.458 1.00 0.00 O ATOM 984 CB GLU X 61 7.134 9.099 -2.739 1.00 0.00 C ATOM 985 CG GLU X 61 6.750 9.435 -4.172 1.00 0.00 C ATOM 986 CD GLU X 61 6.738 10.908 -4.438 1.00 0.00 C ATOM 987 OE1 GLU X 61 7.833 11.513 -4.515 1.00 0.00 O ATOM 988 OE2 GLU X 61 5.648 11.499 -4.566 1.00 0.00 O ATOM 0 H GLU X 61 7.861 8.162 -0.517 1.00 0.00 H new ATOM 0 HA GLU X 61 6.417 7.103 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU X 61 6.354 9.462 -2.069 1.00 0.00 H new ATOM 0 HB3 GLU X 61 8.049 9.634 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU X 61 7.450 8.953 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU X 61 5.763 9.024 -4.385 1.00 0.00 H new ATOM 995 N GLU X 62 9.641 7.065 -2.610 1.00 0.00 N ATOM 996 CA GLU X 62 10.876 6.558 -3.069 1.00 0.00 C ATOM 997 C GLU X 62 10.817 5.018 -3.138 1.00 0.00 C ATOM 998 O GLU X 62 11.781 4.375 -3.583 1.00 0.00 O ATOM 999 CB GLU X 62 11.971 7.014 -2.097 1.00 0.00 C ATOM 1000 CG GLU X 62 13.392 6.812 -2.570 1.00 0.00 C ATOM 1001 CD GLU X 62 13.714 7.666 -3.750 1.00 0.00 C ATOM 1002 OE1 GLU X 62 14.058 8.851 -3.568 1.00 0.00 O ATOM 1003 OE2 GLU X 62 13.644 7.170 -4.892 1.00 0.00 O ATOM 0 H GLU X 62 9.693 7.417 -1.654 1.00 0.00 H new ATOM 0 HA GLU X 62 11.094 6.932 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU X 62 11.825 8.073 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU X 62 11.841 6.480 -1.156 1.00 0.00 H new ATOM 0 HG2 GLU X 62 14.081 7.042 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU X 62 13.543 5.764 -2.829 1.00 0.00 H new ATOM 1010 N LEU X 63 9.714 4.400 -2.666 1.00 0.00 N ATOM 1011 CA LEU X 63 9.626 2.957 -2.835 1.00 0.00 C ATOM 1012 C LEU X 63 9.204 2.676 -4.260 1.00 0.00 C ATOM 1013 O LEU X 63 8.047 2.890 -4.646 1.00 0.00 O ATOM 1014 CB LEU X 63 8.660 2.289 -1.832 1.00 0.00 C ATOM 1015 CG LEU X 63 8.964 2.535 -0.340 1.00 0.00 C ATOM 1016 CD1 LEU X 63 7.990 1.781 0.547 1.00 0.00 C ATOM 1017 CD2 LEU X 63 10.400 2.165 0.003 1.00 0.00 C ATOM 0 H LEU X 63 8.928 4.850 -2.197 1.00 0.00 H new ATOM 0 HA LEU X 63 10.605 2.524 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU X 63 7.650 2.641 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU X 63 8.666 1.214 -2.012 1.00 0.00 H new ATOM 0 HG LEU X 63 8.840 3.602 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU X 63 8.228 1.973 1.593 1.00 0.00 H new ATOM 0 HD12 LEU X 63 6.974 2.116 0.338 1.00 0.00 H new ATOM 0 HD13 LEU X 63 8.068 0.712 0.347 1.00 0.00 H new ATOM 0 HD21 LEU X 63 10.581 2.351 1.062 1.00 0.00 H new ATOM 0 HD22 LEU X 63 10.566 1.110 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU X 63 11.084 2.769 -0.593 1.00 0.00 H new ATOM 1029 N ASP X 64 10.163 2.287 -5.047 1.00 0.00 N ATOM 1030 CA ASP X 64 9.954 1.985 -6.432 1.00 0.00 C ATOM 1031 C ASP X 64 9.772 0.497 -6.630 1.00 0.00 C ATOM 1032 O ASP X 64 10.594 -0.312 -6.180 1.00 0.00 O ATOM 1033 CB ASP X 64 11.097 2.513 -7.282 1.00 0.00 C ATOM 1034 CG ASP X 64 10.854 2.355 -8.764 1.00 0.00 C ATOM 1035 OD1 ASP X 64 11.105 1.273 -9.307 1.00 0.00 O ATOM 1036 OD2 ASP X 64 10.475 3.327 -9.417 1.00 0.00 O ATOM 0 H ASP X 64 11.128 2.169 -4.739 1.00 0.00 H new ATOM 0 HA ASP X 64 9.041 2.485 -6.756 1.00 0.00 H new ATOM 0 HB2 ASP X 64 11.253 3.568 -7.056 1.00 0.00 H new ATOM 0 HB3 ASP X 64 12.014 1.990 -7.012 1.00 0.00 H new ATOM 1041 N GLN X 65 8.776 0.180 -7.392 1.00 0.00 N ATOM 1042 CA GLN X 65 8.276 -1.168 -7.655 1.00 0.00 C ATOM 1043 C GLN X 65 9.321 -2.018 -8.332 1.00 0.00 C ATOM 1044 O GLN X 65 9.384 -3.246 -8.184 1.00 0.00 O ATOM 1045 CB GLN X 65 7.139 -1.115 -8.677 1.00 0.00 C ATOM 1046 CG GLN X 65 6.057 -0.053 -8.525 1.00 0.00 C ATOM 1047 CD GLN X 65 6.409 1.333 -9.064 1.00 0.00 C ATOM 1048 OE1 GLN X 65 7.552 1.782 -9.062 1.00 0.00 O ATOM 1049 NE2 GLN X 65 5.439 1.994 -9.589 1.00 0.00 N ATOM 0 H GLN X 65 8.241 0.891 -7.890 1.00 0.00 H new ATOM 0 HA GLN X 65 7.975 -1.573 -6.689 1.00 0.00 H new ATOM 0 HB2 GLN X 65 7.588 -0.988 -9.662 1.00 0.00 H new ATOM 0 HB3 GLN X 65 6.648 -2.088 -8.673 1.00 0.00 H new ATOM 0 HG2 GLN X 65 5.157 -0.402 -9.032 1.00 0.00 H new ATOM 0 HG3 GLN X 65 5.811 0.040 -7.467 1.00 0.00 H new ATOM 0 HE21 GLN X 65 4.495 1.607 -9.582 1.00 0.00 H new ATOM 0 HE22 GLN X 65 5.613 2.906 -10.012 1.00 0.00 H new ATOM 1058 N GLU X 66 10.114 -1.364 -9.110 1.00 0.00 N ATOM 1059 CA GLU X 66 11.011 -2.018 -9.990 1.00 0.00 C ATOM 1060 C GLU X 66 12.349 -2.293 -9.318 1.00 0.00 C ATOM 1061 O GLU X 66 13.119 -3.139 -9.773 1.00 0.00 O ATOM 1062 CB GLU X 66 11.125 -1.178 -11.246 1.00 0.00 C ATOM 1063 CG GLU X 66 9.739 -0.813 -11.805 1.00 0.00 C ATOM 1064 CD GLU X 66 9.794 0.102 -12.986 1.00 0.00 C ATOM 1065 OE1 GLU X 66 10.575 1.067 -12.971 1.00 0.00 O ATOM 1066 OE2 GLU X 66 9.029 -0.115 -13.950 1.00 0.00 O ATOM 0 H GLU X 66 10.155 -0.346 -9.151 1.00 0.00 H new ATOM 0 HA GLU X 66 10.633 -3.002 -10.265 1.00 0.00 H new ATOM 0 HB2 GLU X 66 11.682 -0.267 -11.027 1.00 0.00 H new ATOM 0 HB3 GLU X 66 11.691 -1.724 -12.001 1.00 0.00 H new ATOM 0 HG2 GLU X 66 9.218 -1.728 -12.088 1.00 0.00 H new ATOM 0 HG3 GLU X 66 9.151 -0.342 -11.017 1.00 0.00 H new ATOM 1073 N LYS X 67 12.623 -1.600 -8.227 1.00 0.00 N ATOM 1074 CA LYS X 67 13.823 -1.897 -7.447 1.00 0.00 C ATOM 1075 C LYS X 67 13.449 -2.846 -6.333 1.00 0.00 C ATOM 1076 O LYS X 67 14.292 -3.378 -5.619 1.00 0.00 O ATOM 1077 CB LYS X 67 14.559 -0.642 -6.920 1.00 0.00 C ATOM 1078 CG LYS X 67 15.134 0.246 -8.022 1.00 0.00 C ATOM 1079 CD LYS X 67 14.050 1.052 -8.696 1.00 0.00 C ATOM 1080 CE LYS X 67 14.477 1.625 -10.027 1.00 0.00 C ATOM 1081 NZ LYS X 67 13.379 2.409 -10.641 1.00 0.00 N ATOM 0 H LYS X 67 12.047 -0.841 -7.862 1.00 0.00 H new ATOM 0 HA LYS X 67 14.547 -2.368 -8.112 1.00 0.00 H new ATOM 0 HB2 LYS X 67 13.868 -0.054 -6.317 1.00 0.00 H new ATOM 0 HB3 LYS X 67 15.368 -0.957 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS X 67 15.880 0.918 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS X 67 15.644 -0.372 -8.761 1.00 0.00 H new ATOM 0 HD2 LYS X 67 13.174 0.420 -8.844 1.00 0.00 H new ATOM 0 HD3 LYS X 67 13.748 1.866 -8.037 1.00 0.00 H new ATOM 0 HE2 LYS X 67 15.351 2.261 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS X 67 14.772 0.818 -10.697 1.00 0.00 H new ATOM 0 HZ1 LYS X 67 13.592 2.577 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS X 67 12.487 1.880 -10.560 1.00 0.00 H new ATOM 0 HZ3 LYS X 67 13.287 3.321 -10.149 1.00 0.00 H new ATOM 1095 N PHE X 68 12.169 -3.047 -6.232 1.00 0.00 N ATOM 1096 CA PHE X 68 11.551 -4.004 -5.376 1.00 0.00 C ATOM 1097 C PHE X 68 11.635 -5.375 -6.027 1.00 0.00 C ATOM 1098 O PHE X 68 11.669 -5.492 -7.256 1.00 0.00 O ATOM 1099 CB PHE X 68 10.099 -3.632 -5.064 1.00 0.00 C ATOM 1100 CG PHE X 68 9.884 -2.879 -3.767 1.00 0.00 C ATOM 1101 CD1 PHE X 68 10.562 -1.709 -3.472 1.00 0.00 C ATOM 1102 CD2 PHE X 68 8.982 -3.363 -2.840 1.00 0.00 C ATOM 1103 CE1 PHE X 68 10.335 -1.052 -2.274 1.00 0.00 C ATOM 1104 CE2 PHE X 68 8.758 -2.719 -1.658 1.00 0.00 C ATOM 1105 CZ PHE X 68 9.425 -1.570 -1.365 1.00 0.00 C ATOM 0 H PHE X 68 11.493 -2.514 -6.779 1.00 0.00 H new ATOM 0 HA PHE X 68 12.081 -4.019 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE X 68 9.713 -3.026 -5.884 1.00 0.00 H new ATOM 0 HB3 PHE X 68 9.506 -4.546 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE X 68 11.272 -1.306 -4.180 1.00 0.00 H new ATOM 0 HD2 PHE X 68 8.441 -4.273 -3.056 1.00 0.00 H new ATOM 0 HE1 PHE X 68 10.865 -0.139 -2.048 1.00 0.00 H new ATOM 0 HE2 PHE X 68 8.048 -3.123 -0.952 1.00 0.00 H new ATOM 0 HZ PHE X 68 9.246 -1.063 -0.428 1.00 0.00 H new ATOM 1115 N VAL X 69 11.675 -6.392 -5.225 1.00 0.00 N ATOM 1116 CA VAL X 69 11.853 -7.757 -5.683 1.00 0.00 C ATOM 1117 C VAL X 69 10.560 -8.485 -5.307 1.00 0.00 C ATOM 1118 O VAL X 69 9.762 -7.945 -4.593 1.00 0.00 O ATOM 1119 CB VAL X 69 13.081 -8.412 -4.955 1.00 0.00 C ATOM 1120 CG1 VAL X 69 13.315 -9.842 -5.407 1.00 0.00 C ATOM 1121 CG2 VAL X 69 14.342 -7.581 -5.166 1.00 0.00 C ATOM 0 H VAL X 69 11.584 -6.308 -4.213 1.00 0.00 H new ATOM 0 HA VAL X 69 12.047 -7.807 -6.754 1.00 0.00 H new ATOM 0 HB VAL X 69 12.845 -8.436 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL X 69 14.174 -10.255 -4.878 1.00 0.00 H new ATOM 0 HG12 VAL X 69 12.431 -10.442 -5.189 1.00 0.00 H new ATOM 0 HG13 VAL X 69 13.508 -9.858 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL X 69 15.179 -8.054 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL X 69 14.560 -7.515 -6.232 1.00 0.00 H new ATOM 0 HG23 VAL X 69 14.189 -6.579 -4.764 1.00 0.00 H new ATOM 1131 N VAL X 70 10.305 -9.622 -5.839 1.00 0.00 N ATOM 1132 CA VAL X 70 9.008 -10.212 -5.677 1.00 0.00 C ATOM 1133 C VAL X 70 8.704 -10.935 -4.375 1.00 0.00 C ATOM 1134 O VAL X 70 9.317 -11.932 -4.004 1.00 0.00 O ATOM 1135 CB VAL X 70 8.567 -10.977 -6.910 1.00 0.00 C ATOM 1136 CG1 VAL X 70 9.628 -11.978 -7.359 1.00 0.00 C ATOM 1137 CG2 VAL X 70 7.208 -11.650 -6.737 1.00 0.00 C ATOM 0 H VAL X 70 10.966 -10.169 -6.390 1.00 0.00 H new ATOM 0 HA VAL X 70 8.370 -9.335 -5.570 1.00 0.00 H new ATOM 0 HB VAL X 70 8.447 -10.236 -7.701 1.00 0.00 H new ATOM 0 HG11 VAL X 70 9.277 -12.507 -8.245 1.00 0.00 H new ATOM 0 HG12 VAL X 70 10.551 -11.449 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL X 70 9.815 -12.694 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL X 70 6.946 -12.182 -7.652 1.00 0.00 H new ATOM 0 HG22 VAL X 70 7.254 -12.356 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL X 70 6.451 -10.894 -6.528 1.00 0.00 H new ATOM 1147 N ASP X 71 7.748 -10.364 -3.712 1.00 0.00 N ATOM 1148 CA ASP X 71 7.114 -10.889 -2.527 1.00 0.00 C ATOM 1149 C ASP X 71 5.683 -11.204 -2.912 1.00 0.00 C ATOM 1150 O ASP X 71 4.868 -10.303 -3.095 1.00 0.00 O ATOM 1151 CB ASP X 71 7.177 -9.851 -1.422 1.00 0.00 C ATOM 1152 CG ASP X 71 6.308 -10.157 -0.227 1.00 0.00 C ATOM 1153 OD1 ASP X 71 6.719 -10.951 0.646 1.00 0.00 O ATOM 1154 OD2 ASP X 71 5.222 -9.535 -0.100 1.00 0.00 O ATOM 0 H ASP X 71 7.360 -9.464 -3.995 1.00 0.00 H new ATOM 0 HA ASP X 71 7.609 -11.786 -2.156 1.00 0.00 H new ATOM 0 HB2 ASP X 71 8.210 -9.755 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP X 71 6.883 -8.884 -1.831 1.00 0.00 H new ATOM 1159 N GLU X 72 5.411 -12.471 -3.072 1.00 0.00 N ATOM 1160 CA GLU X 72 4.172 -12.964 -3.663 1.00 0.00 C ATOM 1161 C GLU X 72 3.006 -12.977 -2.700 1.00 0.00 C ATOM 1162 O GLU X 72 1.863 -12.819 -3.113 1.00 0.00 O ATOM 1163 CB GLU X 72 4.360 -14.370 -4.292 1.00 0.00 C ATOM 1164 CG GLU X 72 4.780 -15.494 -3.324 1.00 0.00 C ATOM 1165 CD GLU X 72 6.179 -15.341 -2.776 1.00 0.00 C ATOM 1166 OE1 GLU X 72 6.370 -14.613 -1.783 1.00 0.00 O ATOM 1167 OE2 GLU X 72 7.112 -15.921 -3.345 1.00 0.00 O ATOM 0 H GLU X 72 6.051 -13.214 -2.793 1.00 0.00 H new ATOM 0 HA GLU X 72 3.925 -12.251 -4.450 1.00 0.00 H new ATOM 0 HB2 GLU X 72 3.424 -14.660 -4.770 1.00 0.00 H new ATOM 0 HB3 GLU X 72 5.110 -14.296 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU X 72 4.076 -15.525 -2.492 1.00 0.00 H new ATOM 0 HG3 GLU X 72 4.706 -16.451 -3.840 1.00 0.00 H new ATOM 1174 N ASN X 73 3.284 -13.162 -1.426 1.00 0.00 N ATOM 1175 CA ASN X 73 2.213 -13.226 -0.422 1.00 0.00 C ATOM 1176 C ASN X 73 1.463 -11.900 -0.255 1.00 0.00 C ATOM 1177 O ASN X 73 0.257 -11.887 0.037 1.00 0.00 O ATOM 1178 CB ASN X 73 2.661 -13.851 0.936 1.00 0.00 C ATOM 1179 CG ASN X 73 3.990 -13.339 1.488 1.00 0.00 C ATOM 1180 OD1 ASN X 73 4.331 -12.132 1.209 1.00 0.00 O flip ATOM 1181 ND2 ASN X 73 4.697 -14.056 2.198 1.00 0.00 N flip ATOM 0 H ASN X 73 4.227 -13.271 -1.053 1.00 0.00 H new ATOM 0 HA ASN X 73 1.486 -13.928 -0.831 1.00 0.00 H new ATOM 0 HB2 ASN X 73 1.883 -13.664 1.677 1.00 0.00 H new ATOM 0 HB3 ASN X 73 2.731 -14.932 0.813 1.00 0.00 H new ATOM 0 HD21 ASN X 73 4.407 -15.011 2.407 1.00 0.00 H new ATOM 0 HD22 ASN X 73 5.572 -13.694 2.577 1.00 0.00 H new ATOM 1188 N PHE X 74 2.132 -10.800 -0.533 1.00 0.00 N ATOM 1189 CA PHE X 74 1.503 -9.502 -0.450 1.00 0.00 C ATOM 1190 C PHE X 74 1.301 -8.937 -1.822 1.00 0.00 C ATOM 1191 O PHE X 74 1.823 -9.438 -2.811 1.00 0.00 O ATOM 1192 CB PHE X 74 2.310 -8.482 0.331 1.00 0.00 C ATOM 1193 CG PHE X 74 2.467 -8.676 1.810 1.00 0.00 C ATOM 1194 CD1 PHE X 74 3.499 -9.417 2.325 1.00 0.00 C ATOM 1195 CD2 PHE X 74 1.602 -8.077 2.674 1.00 0.00 C ATOM 1196 CE1 PHE X 74 3.654 -9.569 3.679 1.00 0.00 C ATOM 1197 CE2 PHE X 74 1.746 -8.218 4.023 1.00 0.00 C ATOM 1198 CZ PHE X 74 2.771 -8.969 4.532 1.00 0.00 C ATOM 0 H PHE X 74 3.111 -10.781 -0.818 1.00 0.00 H new ATOM 0 HA PHE X 74 0.560 -9.673 0.070 1.00 0.00 H new ATOM 0 HB2 PHE X 74 3.308 -8.443 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE X 74 1.854 -7.505 0.171 1.00 0.00 H new ATOM 0 HD1 PHE X 74 4.201 -9.889 1.654 1.00 0.00 H new ATOM 0 HD2 PHE X 74 0.789 -7.481 2.285 1.00 0.00 H new ATOM 0 HE1 PHE X 74 4.470 -10.160 4.069 1.00 0.00 H new ATOM 0 HE2 PHE X 74 1.049 -7.735 4.692 1.00 0.00 H new ATOM 0 HZ PHE X 74 2.881 -9.086 5.600 1.00 0.00 H new ATOM 1208 N THR X 75 0.588 -7.866 -1.869 1.00 0.00 N ATOM 1209 CA THR X 75 0.348 -7.171 -3.063 1.00 0.00 C ATOM 1210 C THR X 75 0.932 -5.779 -2.906 1.00 0.00 C ATOM 1211 O THR X 75 0.799 -5.179 -1.822 1.00 0.00 O ATOM 1212 CB THR X 75 -1.184 -7.130 -3.306 1.00 0.00 C ATOM 1213 OG1 THR X 75 -1.868 -6.602 -2.154 1.00 0.00 O ATOM 1214 CG2 THR X 75 -1.719 -8.526 -3.594 1.00 0.00 C ATOM 0 H THR X 75 0.148 -7.446 -1.050 1.00 0.00 H new ATOM 0 HA THR X 75 0.813 -7.654 -3.923 1.00 0.00 H new ATOM 0 HB THR X 75 -1.364 -6.484 -4.165 1.00 0.00 H new ATOM 0 HG1 THR X 75 -1.741 -7.206 -1.393 1.00 0.00 H new ATOM 0 HG21 THR X 75 -2.795 -8.476 -3.762 1.00 0.00 H new ATOM 0 HG22 THR X 75 -1.232 -8.926 -4.483 1.00 0.00 H new ATOM 0 HG23 THR X 75 -1.514 -9.177 -2.744 1.00 0.00 H new ATOM 1222 N GLU X 76 1.669 -5.289 -3.917 1.00 0.00 N ATOM 1223 CA GLU X 76 2.223 -3.975 -3.804 1.00 0.00 C ATOM 1224 C GLU X 76 1.320 -3.003 -4.485 1.00 0.00 C ATOM 1225 O GLU X 76 1.165 -3.028 -5.707 1.00 0.00 O ATOM 1226 CB GLU X 76 3.609 -3.918 -4.431 1.00 0.00 C ATOM 1227 CG GLU X 76 4.163 -2.511 -4.637 1.00 0.00 C ATOM 1228 CD GLU X 76 5.403 -2.519 -5.479 1.00 0.00 C ATOM 1229 OE1 GLU X 76 5.284 -2.779 -6.698 1.00 0.00 O ATOM 1230 OE2 GLU X 76 6.500 -2.311 -4.935 1.00 0.00 O ATOM 0 H GLU X 76 1.877 -5.782 -4.786 1.00 0.00 H new ATOM 0 HA GLU X 76 2.315 -3.719 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU X 76 4.301 -4.476 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU X 76 3.577 -4.425 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU X 76 3.405 -1.888 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU X 76 4.384 -2.062 -3.669 1.00 0.00 H new ATOM 1237 N ASN X 77 0.823 -2.090 -3.742 1.00 0.00 N ATOM 1238 CA ASN X 77 -0.116 -1.184 -4.275 1.00 0.00 C ATOM 1239 C ASN X 77 0.088 0.173 -3.643 1.00 0.00 C ATOM 1240 O ASN X 77 0.131 0.299 -2.419 1.00 0.00 O ATOM 1241 CB ASN X 77 -1.565 -1.785 -4.181 1.00 0.00 C ATOM 1242 CG ASN X 77 -2.183 -2.030 -2.788 1.00 0.00 C ATOM 1243 OD1 ASN X 77 -3.389 -2.060 -2.672 1.00 0.00 O ATOM 1244 ND2 ASN X 77 -1.398 -2.215 -1.750 1.00 0.00 N ATOM 0 H ASN X 77 1.052 -1.950 -2.758 1.00 0.00 H new ATOM 0 HA ASN X 77 0.035 -1.026 -5.343 1.00 0.00 H new ATOM 0 HB2 ASN X 77 -2.234 -1.119 -4.725 1.00 0.00 H new ATOM 0 HB3 ASN X 77 -1.562 -2.737 -4.712 1.00 0.00 H new ATOM 0 HD21 ASN X 77 -1.802 -2.387 -0.829 1.00 0.00 H new ATOM 0 HD22 ASN X 77 -0.385 -2.187 -1.865 1.00 0.00 H new ATOM 1251 N TYR X 78 0.299 1.172 -4.455 1.00 0.00 N ATOM 1252 CA TYR X 78 0.639 2.478 -3.923 1.00 0.00 C ATOM 1253 C TYR X 78 -0.315 3.546 -4.452 1.00 0.00 C ATOM 1254 O TYR X 78 -0.795 3.457 -5.597 1.00 0.00 O ATOM 1255 CB TYR X 78 2.152 2.824 -4.191 1.00 0.00 C ATOM 1256 CG TYR X 78 2.555 3.197 -5.617 1.00 0.00 C ATOM 1257 CD1 TYR X 78 2.077 2.510 -6.734 1.00 0.00 C ATOM 1258 CD2 TYR X 78 3.437 4.251 -5.830 1.00 0.00 C ATOM 1259 CE1 TYR X 78 2.457 2.872 -8.012 1.00 0.00 C ATOM 1260 CE2 TYR X 78 3.822 4.615 -7.106 1.00 0.00 C ATOM 1261 CZ TYR X 78 3.328 3.928 -8.192 1.00 0.00 C ATOM 1262 OH TYR X 78 3.708 4.298 -9.472 1.00 0.00 O ATOM 0 H TYR X 78 0.245 1.118 -5.472 1.00 0.00 H new ATOM 0 HA TYR X 78 0.515 2.455 -2.840 1.00 0.00 H new ATOM 0 HB2 TYR X 78 2.427 3.652 -3.538 1.00 0.00 H new ATOM 0 HB3 TYR X 78 2.751 1.965 -3.887 1.00 0.00 H new ATOM 0 HD1 TYR X 78 1.398 1.681 -6.597 1.00 0.00 H new ATOM 0 HD2 TYR X 78 3.828 4.795 -4.983 1.00 0.00 H new ATOM 0 HE1 TYR X 78 2.075 2.332 -8.866 1.00 0.00 H new ATOM 0 HE2 TYR X 78 4.508 5.436 -7.251 1.00 0.00 H new ATOM 0 HH TYR X 78 4.324 5.059 -9.423 1.00 0.00 H new ATOM 1272 N LEU X 79 -0.619 4.520 -3.625 1.00 0.00 N ATOM 1273 CA LEU X 79 -1.530 5.576 -4.001 1.00 0.00 C ATOM 1274 C LEU X 79 -0.799 6.705 -4.690 1.00 0.00 C ATOM 1275 O LEU X 79 -0.126 7.517 -4.060 1.00 0.00 O ATOM 1276 CB LEU X 79 -2.331 6.104 -2.808 1.00 0.00 C ATOM 1277 CG LEU X 79 -3.225 7.325 -3.106 1.00 0.00 C ATOM 1278 CD1 LEU X 79 -4.272 7.013 -4.158 1.00 0.00 C ATOM 1279 CD2 LEU X 79 -3.877 7.848 -1.843 1.00 0.00 C ATOM 0 H LEU X 79 -0.245 4.602 -2.680 1.00 0.00 H new ATOM 0 HA LEU X 79 -2.241 5.142 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU X 79 -2.959 5.298 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU X 79 -1.635 6.369 -2.012 1.00 0.00 H new ATOM 0 HG LEU X 79 -2.577 8.105 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU X 79 -4.881 7.899 -4.339 1.00 0.00 H new ATOM 0 HD12 LEU X 79 -3.780 6.715 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU X 79 -4.909 6.200 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU X 79 -4.501 8.708 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU X 79 -4.494 7.065 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU X 79 -3.106 8.147 -1.133 1.00 0.00 H new