USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Set 2.1: A 77 CYS SG : rot -118:sc= 1.73 USER MOD Set 2.2: A 100 TYR OH : rot 54:sc= 1.09 USER MOD Set 3.1: A 39 CYS SG : rot -99:sc= -5.98! USER MOD Set 3.2: A 63 ASN : amide:sc= -4.51! C(o=-10!,f=-11!) USER MOD Set 4.1: A 22 HIS : no HE2:sc= -5.34 K(o=-8.2,f=-18!) USER MOD Set 4.2: A 36 MET CE :methyl 180:sc= -2.86 (180deg=0) USER MOD Set 4.3: A 52 TYR OH : rot -15:sc= 0 USER MOD Set 5.1: A 20 TYR OH : rot -175:sc= 0.216 USER MOD Set 5.2: A 43 HIS : no HE2:sc= -2.69! C(o=-2.5!,f=-15!) USER MOD Set 6.1: A 8 MET CE :methyl 175:sc= 0 (180deg=-0.0563) USER MOD Set 6.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.7!) USER MOD Single : A 13 CYS SG : rot 19:sc= 1.82 USER MOD Single : A 16 MET CE :methyl -164:sc= -2.16 (180deg=-2.87) USER MOD Single : A 17 THR OG1 : rot 95:sc= 0.801 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 27 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.022) USER MOD Single : A 29 SER OG : rot 91:sc= 0.645 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -91:sc= 0.38 USER MOD Single : A 33 SER OG : rot 92:sc= 0.561 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -159:sc= -0.0927 (180deg=-0.731) USER MOD Single : A 62 HIS : no HD1:sc= -0.489 X(o=-0.49,f=-0.05) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.764 USER MOD Single : A 69 SER OG : rot 71:sc= 0.13 USER MOD Single : A 70 THR OG1 : rot 91:sc= 1.22 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 86 MET CE :methyl -154:sc= -0.0776 (180deg=-0.543) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 161:sc= -0.0569 (180deg=-0.499) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.64 USER MOD Single : A 99 THR OG1 : rot 93:sc= 0.802 USER MOD Single : A 107 SER OG : rot 180:sc=-0.00118 USER MOD Single : A 110 GLN : amide:sc= -0.0954 K(o=-0.095,f=-1.2) USER MOD Single : A 111 LYS NZ :NH3+ -136:sc= -0.0464 (180deg=-0.398) USER MOD ----------------------------------------------------------------- ATOM 83 N ASN A 7 3.434 12.977 5.184 1.00 0.00 N ATOM 84 CA ASN A 7 3.093 13.660 3.945 1.00 0.00 C ATOM 85 C ASN A 7 3.887 13.065 2.788 1.00 0.00 C ATOM 86 O ASN A 7 3.373 12.906 1.681 1.00 0.00 O ATOM 87 CB ASN A 7 3.399 15.153 4.067 1.00 0.00 C ATOM 88 CG ASN A 7 2.867 15.896 2.847 1.00 0.00 C ATOM 89 OD1 ASN A 7 2.594 15.282 1.815 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.702 17.189 2.903 1.00 0.00 N ATOM 0 HA ASN A 7 2.028 13.530 3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.944 15.553 4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.475 15.306 4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.346 17.693 2.091 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.929 17.695 3.759 1.00 0.00 H new ATOM 97 N MET A 8 5.145 12.737 3.060 1.00 0.00 N ATOM 98 CA MET A 8 6.015 12.154 2.047 1.00 0.00 C ATOM 99 C MET A 8 5.436 10.839 1.539 1.00 0.00 C ATOM 100 O MET A 8 5.345 10.614 0.334 1.00 0.00 O ATOM 101 CB MET A 8 7.399 11.901 2.655 1.00 0.00 C ATOM 102 CG MET A 8 8.394 11.482 1.567 1.00 0.00 C ATOM 103 SD MET A 8 8.137 9.742 1.143 1.00 0.00 S ATOM 104 CE MET A 8 9.070 9.755 -0.407 1.00 0.00 C ATOM 0 H MET A 8 5.584 12.865 3.972 1.00 0.00 H new ATOM 0 HA MET A 8 6.097 12.847 1.210 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.754 12.803 3.153 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.332 11.122 3.415 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.264 12.105 0.682 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.415 11.634 1.916 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.122 8.743 -0.809 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.573 10.406 -1.126 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.079 10.123 -0.221 1.00 0.00 H new ATOM 114 N LEU A 9 5.044 9.976 2.469 1.00 0.00 N ATOM 115 CA LEU A 9 4.476 8.687 2.122 1.00 0.00 C ATOM 116 C LEU A 9 3.169 8.865 1.369 1.00 0.00 C ATOM 117 O LEU A 9 2.908 8.180 0.379 1.00 0.00 O ATOM 118 CB LEU A 9 4.206 7.906 3.398 1.00 0.00 C ATOM 119 CG LEU A 9 5.522 7.479 4.045 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.239 6.878 5.426 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.252 6.440 3.165 1.00 0.00 C ATOM 0 H LEU A 9 5.111 10.150 3.472 1.00 0.00 H new ATOM 0 HA LEU A 9 5.181 8.151 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.633 8.519 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.601 7.028 3.174 1.00 0.00 H new ATOM 0 HG LEU A 9 6.162 8.355 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.177 6.573 5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.750 7.623 6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.588 6.010 5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.187 6.150 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.620 5.561 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.465 6.876 2.189 1.00 0.00 H new ATOM 133 N LEU A 10 2.346 9.781 1.859 1.00 0.00 N ATOM 134 CA LEU A 10 1.055 10.031 1.235 1.00 0.00 C ATOM 135 C LEU A 10 1.268 10.503 -0.199 1.00 0.00 C ATOM 136 O LEU A 10 0.639 10.006 -1.131 1.00 0.00 O ATOM 137 CB LEU A 10 0.283 11.091 2.041 1.00 0.00 C ATOM 138 CG LEU A 10 -1.087 11.368 1.399 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.920 10.077 1.348 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.834 12.429 2.226 1.00 0.00 C ATOM 0 H LEU A 10 2.546 10.357 2.677 1.00 0.00 H new ATOM 0 HA LEU A 10 0.471 9.111 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.147 10.748 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.862 12.013 2.087 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.936 11.732 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.887 10.286 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.394 9.328 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.070 9.701 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.805 12.627 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.976 12.064 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.251 13.349 2.249 1.00 0.00 H new ATOM 152 N GLU A 11 2.173 11.452 -0.364 1.00 0.00 N ATOM 153 CA GLU A 11 2.490 11.990 -1.686 1.00 0.00 C ATOM 154 C GLU A 11 2.994 10.880 -2.588 1.00 0.00 C ATOM 155 O GLU A 11 2.515 10.665 -3.704 1.00 0.00 O ATOM 156 CB GLU A 11 3.607 13.011 -1.518 1.00 0.00 C ATOM 157 CG GLU A 11 3.857 13.741 -2.833 1.00 0.00 C ATOM 158 CD GLU A 11 4.958 14.780 -2.645 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.648 14.709 -1.640 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.097 15.628 -3.510 1.00 0.00 O ATOM 0 H GLU A 11 2.705 11.870 0.399 1.00 0.00 H new ATOM 0 HA GLU A 11 1.600 12.440 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.340 13.728 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.519 12.512 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.145 13.029 -3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.941 14.225 -3.171 1.00 0.00 H new ATOM 167 N TRP A 12 3.976 10.198 -2.054 1.00 0.00 N ATOM 168 CA TRP A 12 4.646 9.088 -2.700 1.00 0.00 C ATOM 169 C TRP A 12 3.643 8.013 -3.137 1.00 0.00 C ATOM 170 O TRP A 12 3.529 7.706 -4.324 1.00 0.00 O ATOM 171 CB TRP A 12 5.608 8.578 -1.638 1.00 0.00 C ATOM 172 CG TRP A 12 6.392 7.392 -2.050 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.500 7.405 -2.818 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.188 6.026 -1.636 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.986 6.112 -2.912 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.201 5.222 -2.199 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.213 5.418 -0.838 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.249 3.846 -1.967 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.253 4.036 -0.601 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.270 3.251 -1.164 1.00 0.00 C ATOM 0 H TRP A 12 4.346 10.404 -1.126 1.00 0.00 H new ATOM 0 HA TRP A 12 5.162 9.376 -3.616 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.296 9.380 -1.372 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.042 8.332 -0.739 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.935 8.278 -3.282 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.818 5.848 -3.440 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.426 6.015 -0.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.034 3.247 -2.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.498 3.574 0.018 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.297 2.188 -0.978 1.00 0.00 H new ATOM 191 N CYS A 13 2.908 7.457 -2.176 1.00 0.00 N ATOM 192 CA CYS A 13 1.912 6.429 -2.473 1.00 0.00 C ATOM 193 C CYS A 13 0.926 6.930 -3.535 1.00 0.00 C ATOM 194 O CYS A 13 0.607 6.222 -4.491 1.00 0.00 O ATOM 195 CB CYS A 13 1.158 6.087 -1.178 1.00 0.00 C ATOM 196 SG CYS A 13 2.050 4.798 -0.272 1.00 0.00 S ATOM 0 H CYS A 13 2.983 7.700 -1.188 1.00 0.00 H new ATOM 0 HA CYS A 13 2.410 5.540 -2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.059 6.978 -0.558 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.149 5.748 -1.412 1.00 0.00 H new ATOM 0 HG CYS A 13 3.281 4.749 -0.687 1.00 0.00 H new ATOM 202 N ARG A 14 0.461 8.158 -3.349 1.00 0.00 N ATOM 203 CA ARG A 14 -0.481 8.765 -4.289 1.00 0.00 C ATOM 204 C ARG A 14 0.140 8.879 -5.673 1.00 0.00 C ATOM 205 O ARG A 14 -0.453 8.473 -6.670 1.00 0.00 O ATOM 206 CB ARG A 14 -0.872 10.167 -3.806 1.00 0.00 C ATOM 207 CG ARG A 14 -1.903 10.066 -2.685 1.00 0.00 C ATOM 208 CD ARG A 14 -2.243 11.471 -2.186 1.00 0.00 C ATOM 209 NE ARG A 14 -2.896 12.241 -3.246 1.00 0.00 N ATOM 210 CZ ARG A 14 -4.213 12.184 -3.431 1.00 0.00 C ATOM 211 NH1 ARG A 14 -4.742 11.161 -4.044 1.00 0.00 N ATOM 212 NH2 ARG A 14 -4.975 13.152 -3.000 1.00 0.00 N ATOM 0 H ARG A 14 0.717 8.753 -2.561 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.364 8.129 -4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.012 10.698 -3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.280 10.745 -4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.803 9.568 -3.046 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.510 9.462 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.898 11.407 -1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.335 11.980 -1.864 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.331 12.833 -3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.146 10.405 -4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.751 11.117 -4.186 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.561 13.952 -2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.984 13.108 -3.142 1.00 0.00 H new ATOM 226 N ALA A 15 1.335 9.440 -5.712 1.00 0.00 N ATOM 227 CA ALA A 15 2.047 9.636 -6.965 1.00 0.00 C ATOM 228 C ALA A 15 2.232 8.321 -7.710 1.00 0.00 C ATOM 229 O ALA A 15 2.429 8.311 -8.924 1.00 0.00 O ATOM 230 CB ALA A 15 3.413 10.259 -6.679 1.00 0.00 C ATOM 0 H ALA A 15 1.836 9.770 -4.887 1.00 0.00 H new ATOM 0 HA ALA A 15 1.455 10.301 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.949 10.407 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.278 11.220 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.988 9.595 -6.033 1.00 0.00 H new ATOM 236 N MET A 16 2.183 7.215 -6.976 1.00 0.00 N ATOM 237 CA MET A 16 2.360 5.891 -7.570 1.00 0.00 C ATOM 238 C MET A 16 1.022 5.150 -7.647 1.00 0.00 C ATOM 239 O MET A 16 0.963 4.009 -8.106 1.00 0.00 O ATOM 240 CB MET A 16 3.372 5.098 -6.722 1.00 0.00 C ATOM 241 CG MET A 16 4.797 5.392 -7.209 1.00 0.00 C ATOM 242 SD MET A 16 5.111 7.175 -7.117 1.00 0.00 S ATOM 243 CE MET A 16 6.066 7.172 -5.580 1.00 0.00 C ATOM 0 H MET A 16 2.022 7.207 -5.969 1.00 0.00 H new ATOM 0 HA MET A 16 2.739 5.995 -8.587 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.273 5.370 -5.671 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.165 4.030 -6.796 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.520 4.852 -6.598 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.922 5.042 -8.234 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.122 8.186 -5.184 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.580 6.524 -4.851 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.073 6.804 -5.778 1.00 0.00 H new ATOM 253 N THR A 17 -0.049 5.804 -7.190 1.00 0.00 N ATOM 254 CA THR A 17 -1.383 5.199 -7.206 1.00 0.00 C ATOM 255 C THR A 17 -2.278 5.871 -8.246 1.00 0.00 C ATOM 256 O THR A 17 -3.410 5.449 -8.468 1.00 0.00 O ATOM 257 CB THR A 17 -2.025 5.329 -5.827 1.00 0.00 C ATOM 258 OG1 THR A 17 -1.182 4.727 -4.854 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.386 4.638 -5.817 1.00 0.00 C ATOM 0 H THR A 17 -0.019 6.748 -6.806 1.00 0.00 H new ATOM 0 HA THR A 17 -1.276 4.146 -7.468 1.00 0.00 H new ATOM 0 HB THR A 17 -2.159 6.385 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.607 5.411 -4.451 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.836 4.736 -4.829 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.035 5.102 -6.560 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.260 3.582 -6.055 1.00 0.00 H new ATOM 267 N ARG A 18 -1.764 6.909 -8.887 1.00 0.00 N ATOM 268 CA ARG A 18 -2.526 7.609 -9.914 1.00 0.00 C ATOM 269 C ARG A 18 -2.780 6.678 -11.093 1.00 0.00 C ATOM 270 O ARG A 18 -3.920 6.453 -11.502 1.00 0.00 O ATOM 271 CB ARG A 18 -1.722 8.825 -10.372 1.00 0.00 C ATOM 272 CG ARG A 18 -1.843 9.931 -9.327 1.00 0.00 C ATOM 273 CD ARG A 18 -0.915 11.086 -9.690 1.00 0.00 C ATOM 274 NE ARG A 18 -1.319 11.663 -10.965 1.00 0.00 N ATOM 275 CZ ARG A 18 -2.261 12.600 -11.025 1.00 0.00 C ATOM 276 NH1 ARG A 18 -1.939 13.853 -10.864 1.00 0.00 N ATOM 277 NH2 ARG A 18 -3.502 12.262 -11.235 1.00 0.00 N ATOM 0 H ARG A 18 -0.831 7.284 -8.718 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.487 7.931 -9.512 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.676 8.553 -10.511 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.090 9.177 -11.336 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.873 10.283 -9.274 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.587 9.543 -8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.945 11.847 -8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.114 10.732 -9.751 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.873 11.344 -11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.967 14.112 -10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.659 14.574 -10.909 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.750 11.280 -11.353 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.225 12.980 -11.281 1.00 0.00 H new ATOM 291 N ASN A 19 -1.687 6.142 -11.624 1.00 0.00 N ATOM 292 CA ASN A 19 -1.753 5.224 -12.759 1.00 0.00 C ATOM 293 C ASN A 19 -2.920 4.258 -12.582 1.00 0.00 C ATOM 294 O ASN A 19 -3.453 3.716 -13.549 1.00 0.00 O ATOM 295 CB ASN A 19 -0.445 4.440 -12.864 1.00 0.00 C ATOM 296 CG ASN A 19 -0.424 3.629 -14.152 1.00 0.00 C ATOM 297 OD1 ASN A 19 -1.136 3.953 -15.102 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.356 2.587 -14.241 1.00 0.00 N ATOM 0 H ASN A 19 -0.742 6.327 -11.287 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.904 5.799 -13.673 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.402 5.126 -12.843 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.339 3.777 -12.006 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.377 2.038 -15.100 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.945 2.322 -13.451 1.00 0.00 H new ATOM 305 N TYR A 20 -3.302 4.058 -11.326 1.00 0.00 N ATOM 306 CA TYR A 20 -4.406 3.167 -10.980 1.00 0.00 C ATOM 307 C TYR A 20 -5.709 3.949 -10.880 1.00 0.00 C ATOM 308 O TYR A 20 -5.702 5.154 -10.625 1.00 0.00 O ATOM 309 CB TYR A 20 -4.100 2.491 -9.643 1.00 0.00 C ATOM 310 CG TYR A 20 -3.024 1.453 -9.838 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.722 1.854 -10.143 1.00 0.00 C ATOM 312 CD2 TYR A 20 -3.330 0.092 -9.725 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.723 0.896 -10.337 1.00 0.00 C ATOM 314 CE2 TYR A 20 -2.330 -0.867 -9.920 1.00 0.00 C ATOM 315 CZ TYR A 20 -1.026 -0.462 -10.228 1.00 0.00 C ATOM 316 OH TYR A 20 -0.039 -1.403 -10.426 1.00 0.00 O ATOM 0 H TYR A 20 -2.860 4.505 -10.523 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.517 2.412 -11.759 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.776 3.234 -8.914 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.001 2.025 -9.244 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.487 2.905 -10.229 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.337 -0.218 -9.488 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.284 1.207 -10.571 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.564 -1.918 -9.833 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.430 -2.301 -10.385 1.00 0.00 H new ATOM 326 N GLU A 21 -6.828 3.262 -11.096 1.00 0.00 N ATOM 327 CA GLU A 21 -8.149 3.901 -11.045 1.00 0.00 C ATOM 328 C GLU A 21 -9.029 3.240 -9.997 1.00 0.00 C ATOM 329 O GLU A 21 -8.647 2.239 -9.390 1.00 0.00 O ATOM 330 CB GLU A 21 -8.830 3.789 -12.407 1.00 0.00 C ATOM 331 CG GLU A 21 -8.751 2.340 -12.898 1.00 0.00 C ATOM 332 CD GLU A 21 -7.343 2.036 -13.401 1.00 0.00 C ATOM 333 OE1 GLU A 21 -6.730 2.930 -13.962 1.00 0.00 O ATOM 334 OE2 GLU A 21 -6.899 0.914 -13.219 1.00 0.00 O ATOM 0 H GLU A 21 -6.851 2.265 -11.308 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.010 4.949 -10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.871 4.103 -12.332 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.347 4.454 -13.123 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.012 1.658 -12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.474 2.178 -13.697 1.00 0.00 H new ATOM 341 N HIS A 22 -10.210 3.817 -9.778 1.00 0.00 N ATOM 342 CA HIS A 22 -11.136 3.283 -8.788 1.00 0.00 C ATOM 343 C HIS A 22 -10.466 3.332 -7.412 1.00 0.00 C ATOM 344 O HIS A 22 -11.041 2.918 -6.404 1.00 0.00 O ATOM 345 CB HIS A 22 -11.550 1.835 -9.185 1.00 0.00 C ATOM 346 CG HIS A 22 -11.643 0.945 -7.978 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.735 0.964 -7.127 1.00 0.00 N ATOM 348 CD2 HIS A 22 -10.772 0.027 -7.455 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.492 0.081 -6.142 1.00 0.00 C ATOM 350 NE2 HIS A 22 -11.310 -0.516 -6.296 1.00 0.00 N ATOM 0 H HIS A 22 -10.543 4.646 -10.269 1.00 0.00 H new ATOM 0 HA HIS A 22 -12.046 3.882 -8.748 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.511 1.857 -9.699 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.823 1.426 -9.886 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -13.570 1.541 -7.228 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.814 -0.234 -7.879 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.171 -0.120 -5.326 1.00 0.00 H new ATOM 358 N VAL A 23 -9.240 3.847 -7.391 1.00 0.00 N ATOM 359 CA VAL A 23 -8.465 3.958 -6.161 1.00 0.00 C ATOM 360 C VAL A 23 -8.039 5.407 -5.947 1.00 0.00 C ATOM 361 O VAL A 23 -7.504 6.047 -6.850 1.00 0.00 O ATOM 362 CB VAL A 23 -7.226 3.062 -6.282 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.290 3.276 -5.094 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.651 1.589 -6.342 1.00 0.00 C ATOM 0 H VAL A 23 -8.759 4.197 -8.220 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.069 3.643 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.697 3.326 -7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.417 2.632 -5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.971 4.318 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.813 3.031 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.766 0.958 -6.428 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.195 1.330 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.295 1.431 -7.207 1.00 0.00 H new ATOM 374 N ASP A 24 -8.277 5.910 -4.744 1.00 0.00 N ATOM 375 CA ASP A 24 -7.913 7.283 -4.395 1.00 0.00 C ATOM 376 C ASP A 24 -7.498 7.346 -2.933 1.00 0.00 C ATOM 377 O ASP A 24 -8.325 7.193 -2.041 1.00 0.00 O ATOM 378 CB ASP A 24 -9.098 8.221 -4.638 1.00 0.00 C ATOM 379 CG ASP A 24 -10.378 7.602 -4.085 1.00 0.00 C ATOM 380 OD1 ASP A 24 -10.496 7.515 -2.873 1.00 0.00 O ATOM 381 OD2 ASP A 24 -11.222 7.227 -4.880 1.00 0.00 O ATOM 0 H ASP A 24 -8.722 5.389 -3.988 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.079 7.599 -5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.914 9.183 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.208 8.411 -5.706 1.00 0.00 H new ATOM 386 N ILE A 25 -6.205 7.537 -2.693 1.00 0.00 N ATOM 387 CA ILE A 25 -5.689 7.574 -1.326 1.00 0.00 C ATOM 388 C ILE A 25 -5.788 8.968 -0.700 1.00 0.00 C ATOM 389 O ILE A 25 -4.884 9.796 -0.826 1.00 0.00 O ATOM 390 CB ILE A 25 -4.242 7.072 -1.328 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.247 5.617 -1.812 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.663 7.141 0.087 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.817 5.118 -2.030 1.00 0.00 C ATOM 0 H ILE A 25 -5.500 7.668 -3.418 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.306 6.922 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.630 7.691 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.751 4.986 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.811 5.539 -2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.634 6.782 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.684 8.172 0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.258 6.518 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.841 4.084 -2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.326 5.738 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.264 5.176 -1.092 1.00 0.00 H new ATOM 405 N GLN A 26 -6.904 9.191 -0.001 1.00 0.00 N ATOM 406 CA GLN A 26 -7.160 10.459 0.692 1.00 0.00 C ATOM 407 C GLN A 26 -6.777 10.311 2.156 1.00 0.00 C ATOM 408 O GLN A 26 -6.477 11.287 2.845 1.00 0.00 O ATOM 409 CB GLN A 26 -8.640 10.831 0.590 1.00 0.00 C ATOM 410 CG GLN A 26 -8.986 11.159 -0.862 1.00 0.00 C ATOM 411 CD GLN A 26 -10.467 11.496 -0.981 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.313 10.783 -0.440 1.00 0.00 O ATOM 413 NE2 GLN A 26 -10.836 12.548 -1.660 1.00 0.00 N ATOM 0 H GLN A 26 -7.651 8.504 0.101 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.567 11.246 0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.258 10.006 0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.855 11.688 1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.384 12.000 -1.207 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.745 10.311 -1.503 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.135 13.138 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.826 12.780 -1.743 1.00 0.00 H new ATOM 422 N ASN A 27 -6.776 9.066 2.608 1.00 0.00 N ATOM 423 CA ASN A 27 -6.412 8.731 3.977 1.00 0.00 C ATOM 424 C ASN A 27 -5.689 7.397 3.963 1.00 0.00 C ATOM 425 O ASN A 27 -5.506 6.797 2.902 1.00 0.00 O ATOM 426 CB ASN A 27 -7.659 8.638 4.866 1.00 0.00 C ATOM 427 CG ASN A 27 -8.176 10.035 5.196 1.00 0.00 C ATOM 428 OD1 ASN A 27 -9.023 10.569 4.482 1.00 0.00 O ATOM 429 ND2 ASN A 27 -7.718 10.659 6.248 1.00 0.00 N ATOM 0 H ASN A 27 -7.027 8.259 2.036 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.768 9.511 4.384 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.435 8.066 4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.420 8.104 5.786 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.063 11.591 6.479 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.016 10.214 6.839 1.00 0.00 H new ATOM 436 N PHE A 28 -5.279 6.928 5.130 1.00 0.00 N ATOM 437 CA PHE A 28 -4.572 5.656 5.223 1.00 0.00 C ATOM 438 C PHE A 28 -5.499 4.571 5.759 1.00 0.00 C ATOM 439 O PHE A 28 -5.147 3.393 5.790 1.00 0.00 O ATOM 440 CB PHE A 28 -3.364 5.816 6.149 1.00 0.00 C ATOM 441 CG PHE A 28 -2.271 6.564 5.421 1.00 0.00 C ATOM 442 CD1 PHE A 28 -2.256 7.965 5.420 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.278 5.854 4.739 1.00 0.00 C ATOM 444 CE1 PHE A 28 -1.247 8.653 4.737 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.270 6.541 4.055 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.254 7.941 4.055 1.00 0.00 C ATOM 0 H PHE A 28 -5.421 7.403 6.022 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.234 5.361 4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.652 6.357 7.051 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.002 4.838 6.466 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.023 8.514 5.946 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.289 4.774 4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.235 9.733 4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.496 5.992 3.527 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.525 8.472 3.528 1.00 0.00 H new ATOM 456 N SER A 29 -6.673 4.992 6.216 1.00 0.00 N ATOM 457 CA SER A 29 -7.652 4.069 6.803 1.00 0.00 C ATOM 458 C SER A 29 -8.863 3.839 5.898 1.00 0.00 C ATOM 459 O SER A 29 -9.061 2.749 5.363 1.00 0.00 O ATOM 460 CB SER A 29 -8.137 4.655 8.128 1.00 0.00 C ATOM 461 OG SER A 29 -9.148 3.819 8.669 1.00 0.00 O ATOM 0 H SER A 29 -6.975 5.966 6.194 1.00 0.00 H new ATOM 0 HA SER A 29 -7.158 3.107 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.305 4.739 8.828 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.526 5.661 7.973 1.00 0.00 H new ATOM 0 HG SER A 29 -8.739 3.149 9.256 1.00 0.00 H new ATOM 467 N SER A 30 -9.674 4.872 5.747 1.00 0.00 N ATOM 468 CA SER A 30 -10.882 4.784 4.933 1.00 0.00 C ATOM 469 C SER A 30 -10.575 4.462 3.478 1.00 0.00 C ATOM 470 O SER A 30 -11.254 3.645 2.859 1.00 0.00 O ATOM 471 CB SER A 30 -11.653 6.101 5.003 1.00 0.00 C ATOM 472 OG SER A 30 -12.841 5.990 4.232 1.00 0.00 O ATOM 0 H SER A 30 -9.521 5.784 6.177 1.00 0.00 H new ATOM 0 HA SER A 30 -11.483 3.970 5.337 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.898 6.338 6.038 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.036 6.917 4.627 1.00 0.00 H new ATOM 0 HG SER A 30 -13.339 6.833 4.276 1.00 0.00 H new ATOM 478 N SER A 31 -9.574 5.124 2.926 1.00 0.00 N ATOM 479 CA SER A 31 -9.221 4.906 1.534 1.00 0.00 C ATOM 480 C SER A 31 -8.580 3.535 1.349 1.00 0.00 C ATOM 481 O SER A 31 -8.184 3.171 0.242 1.00 0.00 O ATOM 482 CB SER A 31 -8.257 6.001 1.067 1.00 0.00 C ATOM 483 OG SER A 31 -6.928 5.494 1.051 1.00 0.00 O ATOM 0 H SER A 31 -8.997 5.809 3.413 1.00 0.00 H new ATOM 0 HA SER A 31 -10.130 4.945 0.934 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.537 6.345 0.072 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.320 6.862 1.732 1.00 0.00 H new ATOM 0 HG SER A 31 -6.501 5.667 1.916 1.00 0.00 H new ATOM 489 N TRP A 32 -8.466 2.777 2.441 1.00 0.00 N ATOM 490 CA TRP A 32 -7.853 1.452 2.400 1.00 0.00 C ATOM 491 C TRP A 32 -8.866 0.354 2.704 1.00 0.00 C ATOM 492 O TRP A 32 -8.538 -0.832 2.646 1.00 0.00 O ATOM 493 CB TRP A 32 -6.745 1.416 3.440 1.00 0.00 C ATOM 494 CG TRP A 32 -5.612 2.260 2.984 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.671 3.595 2.810 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.258 1.855 2.657 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.437 4.037 2.372 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.528 3.000 2.275 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.605 0.616 2.653 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.188 2.917 1.906 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.256 0.527 2.276 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.548 1.676 1.907 1.00 0.00 C ATOM 0 H TRP A 32 -8.791 3.060 3.365 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.463 1.273 1.398 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.119 1.777 4.398 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.410 0.390 3.595 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.538 4.216 2.984 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.223 5.009 2.148 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.142 -0.275 2.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.647 3.807 1.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.762 -0.433 2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.508 1.603 1.623 1.00 0.00 H new ATOM 513 N SER A 33 -10.086 0.745 3.049 1.00 0.00 N ATOM 514 CA SER A 33 -11.118 -0.223 3.381 1.00 0.00 C ATOM 515 C SER A 33 -11.421 -1.143 2.204 1.00 0.00 C ATOM 516 O SER A 33 -12.225 -2.066 2.326 1.00 0.00 O ATOM 517 CB SER A 33 -12.395 0.508 3.789 1.00 0.00 C ATOM 518 OG SER A 33 -12.067 1.575 4.668 1.00 0.00 O ATOM 0 H SER A 33 -10.382 1.719 3.105 1.00 0.00 H new ATOM 0 HA SER A 33 -10.752 -0.833 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.905 0.893 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.082 -0.183 4.278 1.00 0.00 H new ATOM 0 HG SER A 33 -11.924 2.394 4.149 1.00 0.00 H new ATOM 524 N SER A 34 -10.790 -0.890 1.059 1.00 0.00 N ATOM 525 CA SER A 34 -11.024 -1.708 -0.132 1.00 0.00 C ATOM 526 C SER A 34 -9.978 -2.813 -0.270 1.00 0.00 C ATOM 527 O SER A 34 -10.234 -3.843 -0.890 1.00 0.00 O ATOM 528 CB SER A 34 -10.977 -0.818 -1.378 1.00 0.00 C ATOM 529 OG SER A 34 -11.563 0.439 -1.076 1.00 0.00 O ATOM 0 H SER A 34 -10.119 -0.133 0.930 1.00 0.00 H new ATOM 0 HA SER A 34 -12.004 -2.174 -0.031 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.946 -0.683 -1.704 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.512 -1.294 -2.200 1.00 0.00 H new ATOM 0 HG SER A 34 -11.534 1.013 -1.870 1.00 0.00 H new ATOM 535 N GLY A 35 -8.787 -2.580 0.271 1.00 0.00 N ATOM 536 CA GLY A 35 -7.713 -3.560 0.154 1.00 0.00 C ATOM 537 C GLY A 35 -7.073 -3.423 -1.214 1.00 0.00 C ATOM 538 O GLY A 35 -5.976 -3.919 -1.465 1.00 0.00 O ATOM 0 H GLY A 35 -8.543 -1.735 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.970 -3.401 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.106 -4.568 0.288 1.00 0.00 H new ATOM 542 N MET A 36 -7.782 -2.724 -2.089 1.00 0.00 N ATOM 543 CA MET A 36 -7.326 -2.487 -3.446 1.00 0.00 C ATOM 544 C MET A 36 -6.022 -1.695 -3.436 1.00 0.00 C ATOM 545 O MET A 36 -5.228 -1.771 -4.373 1.00 0.00 O ATOM 546 CB MET A 36 -8.397 -1.704 -4.208 1.00 0.00 C ATOM 547 CG MET A 36 -9.738 -2.448 -4.124 1.00 0.00 C ATOM 548 SD MET A 36 -9.678 -3.935 -5.157 1.00 0.00 S ATOM 549 CE MET A 36 -10.447 -3.219 -6.633 1.00 0.00 C ATOM 0 H MET A 36 -8.688 -2.307 -1.876 1.00 0.00 H new ATOM 0 HA MET A 36 -7.150 -3.445 -3.936 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.498 -0.703 -3.788 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.101 -1.584 -5.250 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.949 -2.720 -3.090 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.547 -1.797 -4.454 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.512 -3.977 -7.414 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.448 -2.866 -6.387 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.844 -2.383 -6.988 1.00 0.00 H new ATOM 559 N ALA A 37 -5.821 -0.920 -2.375 1.00 0.00 N ATOM 560 CA ALA A 37 -4.619 -0.100 -2.260 1.00 0.00 C ATOM 561 C ALA A 37 -3.367 -0.951 -1.996 1.00 0.00 C ATOM 562 O ALA A 37 -2.345 -0.770 -2.658 1.00 0.00 O ATOM 563 CB ALA A 37 -4.789 0.927 -1.139 1.00 0.00 C ATOM 0 H ALA A 37 -6.467 -0.842 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.481 0.412 -3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.887 1.534 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.641 1.570 -1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.961 0.410 -0.195 1.00 0.00 H new ATOM 569 N PHE A 38 -3.437 -1.857 -1.019 1.00 0.00 N ATOM 570 CA PHE A 38 -2.279 -2.695 -0.686 1.00 0.00 C ATOM 571 C PHE A 38 -1.798 -3.488 -1.907 1.00 0.00 C ATOM 572 O PHE A 38 -0.602 -3.533 -2.189 1.00 0.00 O ATOM 573 CB PHE A 38 -2.636 -3.667 0.469 1.00 0.00 C ATOM 574 CG PHE A 38 -2.198 -3.090 1.803 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.831 -2.970 2.090 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.148 -2.685 2.746 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.418 -2.443 3.321 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.730 -2.160 3.977 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.367 -2.038 4.261 1.00 0.00 C ATOM 0 H PHE A 38 -4.267 -2.029 -0.452 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.470 -2.038 -0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.711 -3.849 0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.151 -4.629 0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.097 -3.284 1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.201 -2.776 2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.635 -2.350 3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.463 -1.849 4.707 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.048 -1.630 5.209 1.00 0.00 H new ATOM 589 N CYS A 39 -2.729 -4.105 -2.613 1.00 0.00 N ATOM 590 CA CYS A 39 -2.369 -4.888 -3.791 1.00 0.00 C ATOM 591 C CYS A 39 -1.873 -3.980 -4.915 1.00 0.00 C ATOM 592 O CYS A 39 -0.892 -4.286 -5.591 1.00 0.00 O ATOM 593 CB CYS A 39 -3.571 -5.692 -4.276 1.00 0.00 C ATOM 594 SG CYS A 39 -4.908 -4.560 -4.714 1.00 0.00 S ATOM 0 H CYS A 39 -3.726 -4.083 -2.399 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.566 -5.571 -3.512 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.294 -6.297 -5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.901 -6.380 -3.497 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.764 -4.501 -3.738 1.00 0.00 H new ATOM 600 N ALA A 40 -2.574 -2.872 -5.118 1.00 0.00 N ATOM 601 CA ALA A 40 -2.231 -1.922 -6.175 1.00 0.00 C ATOM 602 C ALA A 40 -0.841 -1.313 -5.977 1.00 0.00 C ATOM 603 O ALA A 40 -0.080 -1.157 -6.933 1.00 0.00 O ATOM 604 CB ALA A 40 -3.273 -0.807 -6.190 1.00 0.00 C ATOM 0 H ALA A 40 -3.388 -2.606 -4.563 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.221 -2.460 -7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.028 -0.091 -6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.258 -1.232 -6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.277 -0.300 -5.225 1.00 0.00 H new ATOM 610 N LEU A 41 -0.528 -0.951 -4.743 1.00 0.00 N ATOM 611 CA LEU A 41 0.762 -0.337 -4.431 1.00 0.00 C ATOM 612 C LEU A 41 1.909 -1.303 -4.745 1.00 0.00 C ATOM 613 O LEU A 41 2.918 -0.919 -5.334 1.00 0.00 O ATOM 614 CB LEU A 41 0.772 0.058 -2.948 1.00 0.00 C ATOM 615 CG LEU A 41 2.064 0.798 -2.577 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.141 2.150 -3.309 1.00 0.00 C ATOM 617 CD2 LEU A 41 2.069 1.034 -1.062 1.00 0.00 C ATOM 0 H LEU A 41 -1.145 -1.070 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 41 0.904 0.552 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.088 0.693 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.672 -0.835 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 41 2.925 0.198 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.064 2.661 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.127 1.982 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.287 2.766 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.981 1.560 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.203 1.635 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.027 0.076 -0.544 1.00 0.00 H new ATOM 629 N ILE A 42 1.733 -2.563 -4.359 1.00 0.00 N ATOM 630 CA ILE A 42 2.735 -3.603 -4.607 1.00 0.00 C ATOM 631 C ILE A 42 2.914 -3.851 -6.105 1.00 0.00 C ATOM 632 O ILE A 42 4.035 -4.025 -6.585 1.00 0.00 O ATOM 633 CB ILE A 42 2.300 -4.900 -3.899 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.391 -4.719 -2.371 1.00 0.00 C ATOM 635 CG2 ILE A 42 3.165 -6.094 -4.332 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.836 -4.393 -1.922 1.00 0.00 C ATOM 0 H ILE A 42 0.901 -2.893 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 42 3.694 -3.270 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 42 1.269 -5.108 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.722 -3.917 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.052 -5.628 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.831 -6.993 -3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.071 -6.240 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.208 -5.898 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.862 -4.272 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.500 -5.207 -2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.165 -3.469 -2.398 1.00 0.00 H new ATOM 648 N HIS A 43 1.803 -3.889 -6.831 1.00 0.00 N ATOM 649 CA HIS A 43 1.834 -4.139 -8.269 1.00 0.00 C ATOM 650 C HIS A 43 2.731 -3.126 -8.990 1.00 0.00 C ATOM 651 O HIS A 43 3.460 -3.475 -9.919 1.00 0.00 O ATOM 652 CB HIS A 43 0.410 -4.044 -8.820 1.00 0.00 C ATOM 653 CG HIS A 43 0.372 -4.528 -10.241 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.486 -3.673 -11.326 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.213 -5.781 -10.766 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.392 -4.422 -12.441 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.225 -5.716 -12.155 1.00 0.00 N ATOM 0 H HIS A 43 0.868 -3.750 -6.448 1.00 0.00 H new ATOM 0 HA HIS A 43 2.243 -5.135 -8.441 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.266 -4.640 -8.207 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.060 -3.013 -8.770 1.00 0.00 H new ATOM 0 HD1 HIS A 43 0.617 -2.662 -11.287 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.096 -6.686 -10.188 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.445 -4.025 -13.444 1.00 0.00 H new ATOM 665 N LYS A 44 2.647 -1.874 -8.565 1.00 0.00 N ATOM 666 CA LYS A 44 3.423 -0.799 -9.181 1.00 0.00 C ATOM 667 C LYS A 44 4.910 -1.180 -9.265 1.00 0.00 C ATOM 668 O LYS A 44 5.593 -0.894 -10.248 1.00 0.00 O ATOM 669 CB LYS A 44 3.273 0.489 -8.336 1.00 0.00 C ATOM 670 CG LYS A 44 3.221 1.736 -9.233 1.00 0.00 C ATOM 671 CD LYS A 44 4.505 1.868 -10.046 1.00 0.00 C ATOM 672 CE LYS A 44 4.459 3.162 -10.856 1.00 0.00 C ATOM 673 NZ LYS A 44 5.739 3.319 -11.601 1.00 0.00 N ATOM 0 H LYS A 44 2.049 -1.574 -7.795 1.00 0.00 H new ATOM 0 HA LYS A 44 3.047 -0.632 -10.191 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.365 0.430 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.109 0.571 -7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.364 1.672 -9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.080 2.626 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.370 1.871 -9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.617 1.012 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.620 3.140 -11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.303 4.014 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.713 4.199 -12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.530 3.357 -10.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.869 2.511 -12.242 1.00 0.00 H new ATOM 687 N PHE A 45 5.409 -1.812 -8.216 1.00 0.00 N ATOM 688 CA PHE A 45 6.815 -2.198 -8.168 1.00 0.00 C ATOM 689 C PHE A 45 7.099 -3.462 -8.977 1.00 0.00 C ATOM 690 O PHE A 45 8.088 -3.534 -9.707 1.00 0.00 O ATOM 691 CB PHE A 45 7.214 -2.422 -6.709 1.00 0.00 C ATOM 692 CG PHE A 45 6.594 -1.350 -5.831 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.638 0.002 -6.209 1.00 0.00 C ATOM 694 CD2 PHE A 45 5.971 -1.715 -4.631 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.059 0.978 -5.389 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.392 -0.740 -3.813 1.00 0.00 C ATOM 697 CZ PHE A 45 5.436 0.608 -4.191 1.00 0.00 C ATOM 0 H PHE A 45 4.868 -2.069 -7.390 1.00 0.00 H new ATOM 0 HA PHE A 45 7.401 -1.393 -8.612 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.885 -3.408 -6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.300 -2.400 -6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.119 0.289 -7.133 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.938 -2.753 -4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.093 2.017 -5.681 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.911 -1.026 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.990 1.361 -3.559 1.00 0.00 H new ATOM 707 N PHE A 46 6.252 -4.471 -8.815 1.00 0.00 N ATOM 708 CA PHE A 46 6.440 -5.751 -9.498 1.00 0.00 C ATOM 709 C PHE A 46 5.309 -6.020 -10.500 1.00 0.00 C ATOM 710 O PHE A 46 4.394 -6.770 -10.191 1.00 0.00 O ATOM 711 CB PHE A 46 6.468 -6.846 -8.433 1.00 0.00 C ATOM 712 CG PHE A 46 7.314 -6.364 -7.281 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.703 -6.298 -7.416 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.709 -5.968 -6.080 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.490 -5.841 -6.351 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.493 -5.513 -5.016 1.00 0.00 C ATOM 717 CZ PHE A 46 8.882 -5.448 -5.151 1.00 0.00 C ATOM 0 H PHE A 46 5.427 -4.431 -8.217 1.00 0.00 H new ATOM 0 HA PHE A 46 7.373 -5.732 -10.061 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.457 -7.072 -8.094 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.878 -7.767 -8.846 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.170 -6.599 -8.342 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.635 -6.015 -5.977 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.564 -5.792 -6.455 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.025 -5.212 -4.090 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.488 -5.095 -4.330 1.00 0.00 H new ATOM 727 N PRO A 47 5.337 -5.430 -11.686 1.00 0.00 N ATOM 728 CA PRO A 47 4.255 -5.644 -12.697 1.00 0.00 C ATOM 729 C PRO A 47 3.918 -7.127 -12.857 1.00 0.00 C ATOM 730 O PRO A 47 2.762 -7.495 -13.070 1.00 0.00 O ATOM 731 CB PRO A 47 4.833 -5.074 -14.018 1.00 0.00 C ATOM 732 CG PRO A 47 6.228 -4.595 -13.710 1.00 0.00 C ATOM 733 CD PRO A 47 6.361 -4.497 -12.189 1.00 0.00 C ATOM 0 HA PRO A 47 3.326 -5.157 -12.399 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.849 -5.838 -14.795 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.216 -4.256 -14.389 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.968 -5.286 -14.115 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.410 -3.625 -14.173 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.359 -4.781 -11.856 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.184 -3.481 -11.837 1.00 0.00 H new ATOM 741 N GLU A 48 4.935 -7.965 -12.735 1.00 0.00 N ATOM 742 CA GLU A 48 4.742 -9.402 -12.849 1.00 0.00 C ATOM 743 C GLU A 48 3.853 -9.876 -11.707 1.00 0.00 C ATOM 744 O GLU A 48 3.291 -10.970 -11.742 1.00 0.00 O ATOM 745 CB GLU A 48 6.096 -10.116 -12.791 1.00 0.00 C ATOM 746 CG GLU A 48 6.956 -9.703 -13.995 1.00 0.00 C ATOM 747 CD GLU A 48 7.631 -8.359 -13.729 1.00 0.00 C ATOM 748 OE1 GLU A 48 7.347 -7.770 -12.698 1.00 0.00 O ATOM 749 OE2 GLU A 48 8.425 -7.943 -14.557 1.00 0.00 O ATOM 0 H GLU A 48 5.897 -7.677 -12.558 1.00 0.00 H new ATOM 0 HA GLU A 48 4.266 -9.634 -13.802 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.610 -9.865 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.948 -11.196 -12.792 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.711 -10.465 -14.189 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.335 -9.635 -14.888 1.00 0.00 H new ATOM 756 N ALA A 49 3.740 -9.017 -10.700 1.00 0.00 N ATOM 757 CA ALA A 49 2.928 -9.295 -9.514 1.00 0.00 C ATOM 758 C ALA A 49 1.685 -10.109 -9.847 1.00 0.00 C ATOM 759 O ALA A 49 1.617 -11.308 -9.588 1.00 0.00 O ATOM 760 CB ALA A 49 2.476 -7.973 -8.880 1.00 0.00 C ATOM 0 H ALA A 49 4.206 -8.110 -10.680 1.00 0.00 H new ATOM 0 HA ALA A 49 3.548 -9.871 -8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.872 -8.181 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.351 -7.390 -8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.884 -7.408 -9.600 1.00 0.00 H new ATOM 766 N PHE A 50 0.709 -9.429 -10.427 1.00 0.00 N ATOM 767 CA PHE A 50 -0.539 -10.057 -10.804 1.00 0.00 C ATOM 768 C PHE A 50 -1.362 -9.101 -11.659 1.00 0.00 C ATOM 769 O PHE A 50 -1.091 -7.906 -11.710 1.00 0.00 O ATOM 770 CB PHE A 50 -1.333 -10.443 -9.546 1.00 0.00 C ATOM 771 CG PHE A 50 -1.187 -9.367 -8.487 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.820 -8.127 -8.650 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.420 -9.613 -7.337 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.685 -7.137 -7.666 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.289 -8.622 -6.356 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.919 -7.386 -6.520 1.00 0.00 C ATOM 0 H PHE A 50 0.762 -8.434 -10.647 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.323 -10.957 -11.380 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.385 -10.576 -9.797 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.974 -11.397 -9.159 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.411 -7.934 -9.533 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.069 -10.567 -7.209 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.172 -6.181 -7.792 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.300 -8.814 -5.471 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.815 -6.622 -5.763 1.00 0.00 H new ATOM 786 N ASP A 51 -2.381 -9.628 -12.307 1.00 0.00 N ATOM 787 CA ASP A 51 -3.247 -8.800 -13.130 1.00 0.00 C ATOM 788 C ASP A 51 -4.240 -8.067 -12.233 1.00 0.00 C ATOM 789 O ASP A 51 -5.276 -8.613 -11.856 1.00 0.00 O ATOM 790 CB ASP A 51 -3.994 -9.673 -14.139 1.00 0.00 C ATOM 791 CG ASP A 51 -4.906 -8.817 -15.016 1.00 0.00 C ATOM 792 OD1 ASP A 51 -5.264 -7.732 -14.588 1.00 0.00 O ATOM 793 OD2 ASP A 51 -5.231 -9.260 -16.106 1.00 0.00 O ATOM 0 H ASP A 51 -2.631 -10.617 -12.282 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.647 -8.071 -13.675 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.280 -10.210 -14.763 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.585 -10.423 -13.613 1.00 0.00 H new ATOM 798 N TYR A 52 -3.908 -6.832 -11.873 1.00 0.00 N ATOM 799 CA TYR A 52 -4.762 -6.030 -11.003 1.00 0.00 C ATOM 800 C TYR A 52 -6.063 -5.669 -11.695 1.00 0.00 C ATOM 801 O TYR A 52 -7.067 -5.386 -11.043 1.00 0.00 O ATOM 802 CB TYR A 52 -4.037 -4.738 -10.628 1.00 0.00 C ATOM 803 CG TYR A 52 -4.972 -3.822 -9.859 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.799 -2.931 -10.557 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.021 -3.870 -8.462 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.672 -2.089 -9.859 1.00 0.00 C ATOM 807 CE2 TYR A 52 -5.897 -3.028 -7.763 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.720 -2.138 -8.462 1.00 0.00 C ATOM 809 OH TYR A 52 -7.580 -1.308 -7.770 1.00 0.00 O ATOM 0 H TYR A 52 -3.052 -6.363 -12.171 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.985 -6.619 -10.113 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.159 -4.966 -10.023 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.682 -4.236 -11.528 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.762 -2.894 -11.636 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.384 -4.555 -7.922 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.308 -1.402 -10.398 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.937 -3.066 -6.684 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.898 -0.597 -8.365 1.00 0.00 H new ATOM 819 N ALA A 53 -6.038 -5.679 -13.014 1.00 0.00 N ATOM 820 CA ALA A 53 -7.220 -5.343 -13.786 1.00 0.00 C ATOM 821 C ALA A 53 -8.209 -6.502 -13.790 1.00 0.00 C ATOM 822 O ALA A 53 -9.357 -6.347 -14.203 1.00 0.00 O ATOM 823 CB ALA A 53 -6.820 -5.004 -15.220 1.00 0.00 C ATOM 0 H ALA A 53 -5.217 -5.915 -13.571 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.699 -4.479 -13.326 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.710 -4.752 -15.796 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.138 -4.154 -15.216 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.326 -5.864 -15.673 1.00 0.00 H new ATOM 829 N GLU A 54 -7.756 -7.669 -13.332 1.00 0.00 N ATOM 830 CA GLU A 54 -8.597 -8.849 -13.289 1.00 0.00 C ATOM 831 C GLU A 54 -9.283 -8.969 -11.936 1.00 0.00 C ATOM 832 O GLU A 54 -10.205 -9.768 -11.771 1.00 0.00 O ATOM 833 CB GLU A 54 -7.715 -10.081 -13.515 1.00 0.00 C ATOM 834 CG GLU A 54 -7.605 -10.391 -15.010 1.00 0.00 C ATOM 835 CD GLU A 54 -8.845 -11.144 -15.482 1.00 0.00 C ATOM 836 OE1 GLU A 54 -9.884 -10.976 -14.866 1.00 0.00 O ATOM 837 OE2 GLU A 54 -8.735 -11.878 -16.449 1.00 0.00 O ATOM 0 H GLU A 54 -6.808 -7.815 -12.986 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.362 -8.774 -14.062 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.723 -9.907 -13.099 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.135 -10.938 -12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.496 -9.465 -15.574 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.713 -10.988 -15.201 1.00 0.00 H new ATOM 844 N LEU A 55 -8.823 -8.192 -10.964 1.00 0.00 N ATOM 845 CA LEU A 55 -9.396 -8.248 -9.630 1.00 0.00 C ATOM 846 C LEU A 55 -10.685 -7.446 -9.558 1.00 0.00 C ATOM 847 O LEU A 55 -10.837 -6.428 -10.233 1.00 0.00 O ATOM 848 CB LEU A 55 -8.375 -7.698 -8.636 1.00 0.00 C ATOM 849 CG LEU A 55 -7.157 -8.641 -8.585 1.00 0.00 C ATOM 850 CD1 LEU A 55 -6.007 -7.975 -7.814 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.537 -9.972 -7.900 1.00 0.00 C ATOM 0 H LEU A 55 -8.062 -7.522 -11.074 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.636 -9.283 -9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.063 -6.697 -8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.824 -7.611 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.835 -8.846 -9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.151 -8.649 -7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.722 -7.049 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.331 -7.754 -6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.667 -10.628 -7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.876 -9.774 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.337 -10.455 -8.461 1.00 0.00 H new ATOM 863 N ASP A 56 -11.621 -7.921 -8.734 1.00 0.00 N ATOM 864 CA ASP A 56 -12.911 -7.257 -8.573 1.00 0.00 C ATOM 865 C ASP A 56 -13.135 -6.880 -7.097 1.00 0.00 C ATOM 866 O ASP A 56 -12.752 -7.636 -6.202 1.00 0.00 O ATOM 867 CB ASP A 56 -14.020 -8.208 -9.042 1.00 0.00 C ATOM 868 CG ASP A 56 -14.097 -8.217 -10.568 1.00 0.00 C ATOM 869 OD1 ASP A 56 -14.331 -7.162 -11.134 1.00 0.00 O ATOM 870 OD2 ASP A 56 -13.919 -9.277 -11.143 1.00 0.00 O ATOM 0 H ASP A 56 -11.508 -8.763 -8.169 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.928 -6.345 -9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.825 -9.215 -8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.977 -7.896 -8.624 1.00 0.00 H new ATOM 875 N PRO A 57 -13.748 -5.744 -6.816 1.00 0.00 N ATOM 876 CA PRO A 57 -14.004 -5.309 -5.411 1.00 0.00 C ATOM 877 C PRO A 57 -14.710 -6.423 -4.639 1.00 0.00 C ATOM 878 O PRO A 57 -14.883 -6.347 -3.424 1.00 0.00 O ATOM 879 CB PRO A 57 -14.916 -4.063 -5.528 1.00 0.00 C ATOM 880 CG PRO A 57 -15.198 -3.866 -6.996 1.00 0.00 C ATOM 881 CD PRO A 57 -14.243 -4.761 -7.790 1.00 0.00 C ATOM 0 HA PRO A 57 -13.082 -5.083 -4.875 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.842 -4.209 -4.972 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.427 -3.185 -5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.234 -4.120 -7.222 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -15.059 -2.821 -7.273 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.756 -5.250 -8.618 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.424 -4.183 -8.219 1.00 0.00 H new ATOM 889 N ALA A 58 -15.123 -7.446 -5.373 1.00 0.00 N ATOM 890 CA ALA A 58 -15.812 -8.581 -4.787 1.00 0.00 C ATOM 891 C ALA A 58 -14.800 -9.608 -4.298 1.00 0.00 C ATOM 892 O ALA A 58 -15.159 -10.587 -3.642 1.00 0.00 O ATOM 893 CB ALA A 58 -16.716 -9.220 -5.841 1.00 0.00 C ATOM 0 H ALA A 58 -14.991 -7.511 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.411 -8.241 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.236 -10.073 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.446 -8.488 -6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.112 -9.555 -6.684 1.00 0.00 H new ATOM 899 N LYS A 59 -13.532 -9.386 -4.648 1.00 0.00 N ATOM 900 CA LYS A 59 -12.450 -10.304 -4.275 1.00 0.00 C ATOM 901 C LYS A 59 -11.464 -9.628 -3.314 1.00 0.00 C ATOM 902 O LYS A 59 -10.250 -9.731 -3.485 1.00 0.00 O ATOM 903 CB LYS A 59 -11.721 -10.751 -5.562 1.00 0.00 C ATOM 904 CG LYS A 59 -11.354 -12.243 -5.489 1.00 0.00 C ATOM 905 CD LYS A 59 -12.549 -13.095 -5.924 1.00 0.00 C ATOM 906 CE LYS A 59 -12.156 -14.571 -5.888 1.00 0.00 C ATOM 907 NZ LYS A 59 -11.061 -14.810 -6.869 1.00 0.00 N ATOM 0 H LYS A 59 -13.227 -8.578 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.870 -11.169 -3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.358 -10.570 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.818 -10.156 -5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.497 -12.448 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.060 -12.505 -4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.397 -12.916 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.863 -12.815 -6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.830 -14.848 -4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.017 -15.195 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.029 -15.820 -7.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.236 -14.251 -7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.152 -14.526 -6.451 1.00 0.00 H new ATOM 921 N ARG A 60 -11.987 -8.930 -2.315 1.00 0.00 N ATOM 922 CA ARG A 60 -11.130 -8.241 -1.352 1.00 0.00 C ATOM 923 C ARG A 60 -10.289 -9.210 -0.519 1.00 0.00 C ATOM 924 O ARG A 60 -9.103 -8.979 -0.301 1.00 0.00 O ATOM 925 CB ARG A 60 -11.987 -7.377 -0.426 1.00 0.00 C ATOM 926 CG ARG A 60 -12.509 -6.168 -1.202 1.00 0.00 C ATOM 927 CD ARG A 60 -13.422 -5.332 -0.307 1.00 0.00 C ATOM 928 NE ARG A 60 -14.666 -6.048 -0.051 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.513 -5.640 0.888 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.945 -4.408 0.887 1.00 0.00 N ATOM 931 NH2 ARG A 60 -15.912 -6.470 1.812 1.00 0.00 N ATOM 0 H ARG A 60 -12.988 -8.825 -2.149 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.440 -7.617 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.821 -7.960 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.399 -7.047 0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.674 -5.561 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.055 -6.500 -2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.919 -5.113 0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.636 -4.376 -0.784 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.890 -6.876 -0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.632 -3.759 0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.595 -4.095 1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.574 -7.432 1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.562 -6.157 2.533 1.00 0.00 H new ATOM 945 N ARG A 61 -10.900 -10.282 -0.037 1.00 0.00 N ATOM 946 CA ARG A 61 -10.172 -11.244 0.789 1.00 0.00 C ATOM 947 C ARG A 61 -8.855 -11.623 0.126 1.00 0.00 C ATOM 948 O ARG A 61 -7.782 -11.500 0.720 1.00 0.00 O ATOM 949 CB ARG A 61 -11.007 -12.508 0.961 1.00 0.00 C ATOM 950 CG ARG A 61 -12.306 -12.179 1.692 1.00 0.00 C ATOM 951 CD ARG A 61 -13.154 -13.447 1.811 1.00 0.00 C ATOM 952 NE ARG A 61 -13.582 -13.892 0.490 1.00 0.00 N ATOM 953 CZ ARG A 61 -14.171 -15.071 0.317 1.00 0.00 C ATOM 954 NH1 ARG A 61 -15.324 -15.314 0.876 1.00 0.00 N ATOM 955 NH2 ARG A 61 -13.591 -15.989 -0.408 1.00 0.00 N ATOM 0 H ARG A 61 -11.881 -10.509 -0.198 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.975 -10.785 1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.228 -12.943 -0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.443 -13.253 1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.088 -11.779 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.856 -11.409 1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.579 -14.234 2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.025 -13.254 2.437 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.426 -13.287 -0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.775 -14.599 1.447 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.775 -16.219 0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.687 -15.801 -0.841 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.042 -16.894 -0.541 1.00 0.00 H new ATOM 969 N HIS A 62 -8.958 -12.079 -1.109 1.00 0.00 N ATOM 970 CA HIS A 62 -7.792 -12.480 -1.871 1.00 0.00 C ATOM 971 C HIS A 62 -6.869 -11.289 -2.108 1.00 0.00 C ATOM 972 O HIS A 62 -5.651 -11.435 -2.148 1.00 0.00 O ATOM 973 CB HIS A 62 -8.245 -13.044 -3.211 1.00 0.00 C ATOM 974 CG HIS A 62 -8.901 -14.387 -3.005 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.180 -15.571 -3.003 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.211 -14.749 -2.795 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.051 -16.577 -2.801 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.302 -16.131 -2.668 1.00 0.00 N ATOM 0 H HIS A 62 -9.842 -12.181 -1.607 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.245 -13.237 -1.309 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.944 -12.357 -3.687 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.391 -13.145 -3.881 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.044 -14.063 -2.737 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.772 -17.619 -2.752 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.144 -16.685 -2.508 1.00 0.00 H new ATOM 986 N ASN A 63 -7.464 -10.112 -2.252 1.00 0.00 N ATOM 987 CA ASN A 63 -6.694 -8.892 -2.486 1.00 0.00 C ATOM 988 C ASN A 63 -5.710 -8.667 -1.348 1.00 0.00 C ATOM 989 O ASN A 63 -4.539 -8.359 -1.578 1.00 0.00 O ATOM 990 CB ASN A 63 -7.646 -7.694 -2.576 1.00 0.00 C ATOM 991 CG ASN A 63 -6.954 -6.495 -3.209 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.017 -5.943 -2.638 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.375 -6.048 -4.362 1.00 0.00 N ATOM 0 H ASN A 63 -8.474 -9.974 -2.211 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.143 -8.996 -3.421 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.523 -7.965 -3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.000 -7.430 -1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.925 -5.239 -4.790 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.153 -6.508 -4.834 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.182 -8.824 -0.119 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.307 -8.636 1.028 1.00 0.00 C ATOM 1002 C PHE A 64 -4.251 -9.740 1.046 1.00 0.00 C ATOM 1003 O PHE A 64 -3.053 -9.466 1.016 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.122 -8.650 2.326 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.882 -7.347 2.476 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.213 -6.192 2.904 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.253 -7.293 2.193 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.913 -4.989 3.048 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.953 -6.087 2.339 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.281 -4.935 2.768 1.00 0.00 C ATOM 0 H PHE A 64 -7.144 -9.076 0.107 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.810 -7.669 0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.819 -9.488 2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.459 -8.794 3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.156 -6.231 3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.771 -8.181 1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.395 -4.100 3.376 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -10.010 -6.046 2.121 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.820 -4.006 2.882 1.00 0.00 H new ATOM 1020 N THR A 65 -4.707 -10.990 1.064 1.00 0.00 N ATOM 1021 CA THR A 65 -3.777 -12.117 1.063 1.00 0.00 C ATOM 1022 C THR A 65 -2.800 -11.971 -0.097 1.00 0.00 C ATOM 1023 O THR A 65 -1.599 -12.189 0.054 1.00 0.00 O ATOM 1024 CB THR A 65 -4.522 -13.445 0.912 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.618 -13.484 1.813 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.564 -14.600 1.220 1.00 0.00 C ATOM 0 H THR A 65 -5.694 -11.246 1.079 1.00 0.00 H new ATOM 0 HA THR A 65 -3.244 -12.116 2.014 1.00 0.00 H new ATOM 0 HB THR A 65 -4.893 -13.539 -0.108 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.094 -14.335 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.091 -15.548 1.114 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.725 -14.572 0.525 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.194 -14.503 2.241 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.335 -11.604 -1.254 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.523 -11.432 -2.452 1.00 0.00 C ATOM 1036 C LEU A 66 -1.484 -10.337 -2.260 1.00 0.00 C ATOM 1037 O LEU A 66 -0.302 -10.538 -2.546 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.446 -11.062 -3.610 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.655 -10.772 -4.892 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.936 -12.041 -5.365 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.640 -10.313 -5.968 1.00 0.00 C ATOM 0 H LEU A 66 -4.329 -11.419 -1.389 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.995 -12.362 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.148 -11.876 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.036 -10.186 -3.340 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.910 -9.999 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.377 -11.825 -6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.249 -12.380 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.670 -12.821 -5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.099 -10.101 -6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.373 -11.099 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.152 -9.411 -5.632 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.926 -9.180 -1.789 1.00 0.00 N ATOM 1054 CA ALA A 67 -1.006 -8.078 -1.593 1.00 0.00 C ATOM 1055 C ALA A 67 0.107 -8.495 -0.653 1.00 0.00 C ATOM 1056 O ALA A 67 1.274 -8.166 -0.868 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.739 -6.872 -1.017 1.00 0.00 C ATOM 0 H ALA A 67 -2.896 -8.985 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.579 -7.804 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.035 -6.052 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.525 -6.561 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.182 -7.140 -0.058 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.261 -9.226 0.388 1.00 0.00 N ATOM 1064 CA PHE A 68 0.717 -9.685 1.358 1.00 0.00 C ATOM 1065 C PHE A 68 1.491 -10.892 0.822 1.00 0.00 C ATOM 1066 O PHE A 68 2.716 -10.945 0.923 1.00 0.00 O ATOM 1067 CB PHE A 68 0.022 -10.033 2.681 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.575 -8.778 3.305 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.253 -7.701 3.657 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.956 -8.693 3.539 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.297 -6.549 4.234 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.503 -7.540 4.117 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.673 -6.467 4.463 1.00 0.00 C ATOM 0 H PHE A 68 -1.221 -9.511 0.581 1.00 0.00 H new ATOM 0 HA PHE A 68 1.431 -8.881 1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.762 -10.770 2.506 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.737 -10.485 3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.317 -7.760 3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.599 -9.519 3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.344 -5.722 4.502 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.566 -7.479 4.296 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.096 -5.577 4.906 1.00 0.00 H new ATOM 1083 N SER A 69 0.777 -11.856 0.251 1.00 0.00 N ATOM 1084 CA SER A 69 1.424 -13.047 -0.292 1.00 0.00 C ATOM 1085 C SER A 69 2.360 -12.681 -1.441 1.00 0.00 C ATOM 1086 O SER A 69 3.395 -13.319 -1.636 1.00 0.00 O ATOM 1087 CB SER A 69 0.378 -14.051 -0.787 1.00 0.00 C ATOM 1088 OG SER A 69 -0.324 -14.583 0.330 1.00 0.00 O ATOM 0 H SER A 69 -0.238 -11.839 0.152 1.00 0.00 H new ATOM 0 HA SER A 69 2.007 -13.502 0.509 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.317 -13.563 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.862 -14.854 -1.344 1.00 0.00 H new ATOM 0 HG SER A 69 -0.903 -13.891 0.712 1.00 0.00 H new ATOM 1094 N THR A 70 2.010 -11.633 -2.182 1.00 0.00 N ATOM 1095 CA THR A 70 2.857 -11.190 -3.284 1.00 0.00 C ATOM 1096 C THR A 70 4.073 -10.442 -2.752 1.00 0.00 C ATOM 1097 O THR A 70 5.204 -10.709 -3.152 1.00 0.00 O ATOM 1098 CB THR A 70 2.079 -10.287 -4.242 1.00 0.00 C ATOM 1099 OG1 THR A 70 0.980 -11.005 -4.786 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.011 -9.839 -5.369 1.00 0.00 C ATOM 0 H THR A 70 1.162 -11.084 -2.043 1.00 0.00 H new ATOM 0 HA THR A 70 3.188 -12.075 -3.828 1.00 0.00 H new ATOM 0 HB THR A 70 1.705 -9.415 -3.706 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.192 -10.878 -4.217 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.465 -9.194 -6.058 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.853 -9.290 -4.948 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.380 -10.713 -5.905 1.00 0.00 H new ATOM 1108 N ALA A 71 3.830 -9.501 -1.843 1.00 0.00 N ATOM 1109 CA ALA A 71 4.913 -8.717 -1.263 1.00 0.00 C ATOM 1110 C ALA A 71 5.855 -9.606 -0.461 1.00 0.00 C ATOM 1111 O ALA A 71 7.063 -9.370 -0.431 1.00 0.00 O ATOM 1112 CB ALA A 71 4.352 -7.620 -0.355 1.00 0.00 C ATOM 0 H ALA A 71 2.900 -9.265 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 71 5.469 -8.259 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.174 -7.044 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.709 -6.960 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.773 -8.074 0.449 1.00 0.00 H new ATOM 1118 N GLU A 72 5.303 -10.627 0.191 1.00 0.00 N ATOM 1119 CA GLU A 72 6.126 -11.528 0.987 1.00 0.00 C ATOM 1120 C GLU A 72 7.018 -12.379 0.086 1.00 0.00 C ATOM 1121 O GLU A 72 8.221 -12.479 0.301 1.00 0.00 O ATOM 1122 CB GLU A 72 5.237 -12.439 1.842 1.00 0.00 C ATOM 1123 CG GLU A 72 6.108 -13.244 2.811 1.00 0.00 C ATOM 1124 CD GLU A 72 5.233 -14.135 3.687 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.819 -15.179 3.212 1.00 0.00 O ATOM 1126 OE2 GLU A 72 4.988 -13.759 4.823 1.00 0.00 O ATOM 0 H GLU A 72 4.307 -10.847 0.184 1.00 0.00 H new ATOM 0 HA GLU A 72 6.758 -10.927 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.514 -11.841 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.668 -13.114 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.818 -13.854 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.691 -12.567 3.435 1.00 0.00 H new ATOM 1133 N LYS A 73 6.433 -13.003 -0.922 1.00 0.00 N ATOM 1134 CA LYS A 73 7.220 -13.841 -1.813 1.00 0.00 C ATOM 1135 C LYS A 73 8.309 -13.021 -2.507 1.00 0.00 C ATOM 1136 O LYS A 73 9.431 -13.496 -2.688 1.00 0.00 O ATOM 1137 CB LYS A 73 6.315 -14.495 -2.867 1.00 0.00 C ATOM 1138 CG LYS A 73 5.431 -15.567 -2.212 1.00 0.00 C ATOM 1139 CD LYS A 73 4.429 -16.122 -3.240 1.00 0.00 C ATOM 1140 CE LYS A 73 5.147 -17.023 -4.252 1.00 0.00 C ATOM 1141 NZ LYS A 73 4.139 -17.827 -5.005 1.00 0.00 N ATOM 0 H LYS A 73 5.439 -12.949 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 73 7.695 -14.619 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.691 -13.738 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.924 -14.944 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.052 -16.375 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.896 -15.140 -1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.649 -16.687 -2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.938 -15.299 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.734 -16.417 -4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.844 -17.684 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.625 -18.438 -5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.597 -18.415 -4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.491 -17.188 -5.509 1.00 0.00 H new ATOM 1155 N LEU A 74 7.967 -11.801 -2.913 1.00 0.00 N ATOM 1156 CA LEU A 74 8.916 -10.938 -3.611 1.00 0.00 C ATOM 1157 C LEU A 74 9.910 -10.248 -2.667 1.00 0.00 C ATOM 1158 O LEU A 74 11.104 -10.201 -2.963 1.00 0.00 O ATOM 1159 CB LEU A 74 8.148 -9.873 -4.395 1.00 0.00 C ATOM 1160 CG LEU A 74 7.322 -10.532 -5.513 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.438 -9.474 -6.180 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.252 -11.164 -6.572 1.00 0.00 C ATOM 0 H LEU A 74 7.045 -11.389 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 74 9.496 -11.576 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.490 -9.320 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.845 -9.153 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 74 6.702 -11.316 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.851 -9.938 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.767 -9.040 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.066 -8.690 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.651 -11.626 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.885 -10.391 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.878 -11.922 -6.101 1.00 0.00 H new ATOM 1174 N ALA A 75 9.422 -9.677 -1.557 1.00 0.00 N ATOM 1175 CA ALA A 75 10.306 -8.955 -0.625 1.00 0.00 C ATOM 1176 C ALA A 75 10.228 -9.482 0.808 1.00 0.00 C ATOM 1177 O ALA A 75 10.813 -8.885 1.712 1.00 0.00 O ATOM 1178 CB ALA A 75 9.940 -7.469 -0.631 1.00 0.00 C ATOM 0 H ALA A 75 8.439 -9.698 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 75 11.328 -9.111 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.592 -6.931 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.064 -7.068 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.903 -7.348 -0.318 1.00 0.00 H new ATOM 1184 N ASP A 76 9.531 -10.591 1.031 1.00 0.00 N ATOM 1185 CA ASP A 76 9.446 -11.132 2.386 1.00 0.00 C ATOM 1186 C ASP A 76 9.057 -10.030 3.362 1.00 0.00 C ATOM 1187 O ASP A 76 9.601 -9.942 4.463 1.00 0.00 O ATOM 1188 CB ASP A 76 10.794 -11.728 2.776 1.00 0.00 C ATOM 1189 CG ASP A 76 11.049 -13.003 1.977 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.108 -13.756 1.787 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.180 -13.207 1.568 1.00 0.00 O ATOM 0 H ASP A 76 9.030 -11.120 0.317 1.00 0.00 H new ATOM 0 HA ASP A 76 8.685 -11.911 2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.589 -11.006 2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.809 -11.948 3.843 1.00 0.00 H new ATOM 1196 N CYS A 77 8.128 -9.183 2.924 1.00 0.00 N ATOM 1197 CA CYS A 77 7.652 -8.054 3.720 1.00 0.00 C ATOM 1198 C CYS A 77 7.376 -8.435 5.181 1.00 0.00 C ATOM 1199 O CYS A 77 7.672 -9.541 5.629 1.00 0.00 O ATOM 1200 CB CYS A 77 6.371 -7.501 3.083 1.00 0.00 C ATOM 1201 SG CYS A 77 6.122 -5.784 3.596 1.00 0.00 S ATOM 0 H CYS A 77 7.685 -9.260 2.009 1.00 0.00 H new ATOM 0 HA CYS A 77 8.439 -7.300 3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.440 -7.559 1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 77 5.515 -8.107 3.381 1.00 0.00 H new ATOM 0 HG CYS A 77 5.003 -5.685 4.251 1.00 0.00 H new ATOM 1207 N ALA A 78 6.786 -7.489 5.905 1.00 0.00 N ATOM 1208 CA ALA A 78 6.446 -7.686 7.313 1.00 0.00 C ATOM 1209 C ALA A 78 5.084 -8.366 7.443 1.00 0.00 C ATOM 1210 O ALA A 78 4.374 -8.540 6.452 1.00 0.00 O ATOM 1211 CB ALA A 78 6.425 -6.330 8.027 1.00 0.00 C ATOM 0 H ALA A 78 6.531 -6.572 5.538 1.00 0.00 H new ATOM 0 HA ALA A 78 7.197 -8.328 7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.172 -6.476 9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.408 -5.864 7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.681 -5.685 7.560 1.00 0.00 H new ATOM 1217 N GLN A 79 4.720 -8.751 8.671 1.00 0.00 N ATOM 1218 CA GLN A 79 3.444 -9.407 8.930 1.00 0.00 C ATOM 1219 C GLN A 79 2.670 -8.620 9.990 1.00 0.00 C ATOM 1220 O GLN A 79 2.031 -9.194 10.868 1.00 0.00 O ATOM 1221 CB GLN A 79 3.704 -10.832 9.431 1.00 0.00 C ATOM 1222 CG GLN A 79 2.429 -11.656 9.300 1.00 0.00 C ATOM 1223 CD GLN A 79 2.705 -13.115 9.644 1.00 0.00 C ATOM 1224 OE1 GLN A 79 3.853 -13.559 9.592 1.00 0.00 O ATOM 1225 NE2 GLN A 79 1.716 -13.891 9.990 1.00 0.00 N ATOM 0 H GLN A 79 5.297 -8.617 9.501 1.00 0.00 H new ATOM 0 HA GLN A 79 2.857 -9.445 8.013 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.507 -11.291 8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.030 -10.810 10.471 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.661 -11.258 9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.043 -11.582 8.284 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.767 -13.520 10.032 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.891 -14.869 10.219 1.00 0.00 H new ATOM 1234 N LEU A 80 2.752 -7.300 9.912 1.00 0.00 N ATOM 1235 CA LEU A 80 2.076 -6.445 10.881 1.00 0.00 C ATOM 1236 C LEU A 80 0.555 -6.515 10.731 1.00 0.00 C ATOM 1237 O LEU A 80 -0.174 -6.292 11.698 1.00 0.00 O ATOM 1238 CB LEU A 80 2.507 -4.985 10.699 1.00 0.00 C ATOM 1239 CG LEU A 80 4.029 -4.873 10.583 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.403 -3.397 10.454 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.705 -5.456 11.821 1.00 0.00 C ATOM 0 H LEU A 80 3.275 -6.799 9.194 1.00 0.00 H new ATOM 0 HA LEU A 80 2.356 -6.805 11.871 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.039 -4.573 9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.158 -4.391 11.544 1.00 0.00 H new ATOM 0 HG LEU A 80 4.364 -5.430 9.708 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.486 -3.302 10.370 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.932 -2.979 9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.058 -2.856 11.335 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.787 -5.368 11.721 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.377 -4.910 12.706 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.435 -6.507 11.922 1.00 0.00 H new ATOM 1253 N LEU A 81 0.071 -6.788 9.512 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.385 -6.839 9.251 1.00 0.00 C ATOM 1255 C LEU A 81 -1.845 -8.223 8.795 1.00 0.00 C ATOM 1256 O LEU A 81 -1.159 -8.905 8.031 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.775 -5.817 8.159 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.860 -4.592 8.218 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.156 -3.677 7.029 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.113 -3.826 9.514 1.00 0.00 C ATOM 0 H LEU A 81 0.653 -6.976 8.696 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.875 -6.600 10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.706 -6.283 7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.812 -5.510 8.294 1.00 0.00 H new ATOM 0 HG LEU A 81 0.180 -4.917 8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.504 -2.804 7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.978 -4.219 6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.197 -3.355 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.460 -2.954 9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.153 -3.503 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.906 -4.474 10.366 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.032 -8.612 9.264 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.625 -9.902 8.906 1.00 0.00 C ATOM 1274 C GLU A 82 -4.843 -9.694 8.006 1.00 0.00 C ATOM 1275 O GLU A 82 -5.610 -8.750 8.185 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.033 -10.657 10.168 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.775 -11.009 10.962 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.152 -11.732 12.247 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.160 -11.374 12.831 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.428 -12.639 12.627 1.00 0.00 O ATOM 0 H GLU A 82 -3.603 -8.050 9.895 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.884 -10.489 8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.702 -10.046 10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.579 -11.563 9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.120 -11.639 10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.218 -10.102 11.196 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.000 -10.576 7.029 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.102 -10.480 6.083 1.00 0.00 C ATOM 1289 C VAL A 83 -7.451 -10.464 6.800 1.00 0.00 C ATOM 1290 O VAL A 83 -8.288 -9.597 6.550 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.028 -11.704 5.162 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.280 -11.790 4.276 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.756 -11.620 4.298 1.00 0.00 C ATOM 0 H VAL A 83 -4.377 -11.368 6.871 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.018 -9.551 5.519 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.986 -12.607 5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.209 -12.665 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.166 -11.875 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.355 -10.891 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.703 -12.490 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.785 -10.713 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.878 -11.598 4.944 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.658 -11.439 7.667 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.915 -11.550 8.395 1.00 0.00 C ATOM 1305 C ASP A 84 -9.249 -10.256 9.131 1.00 0.00 C ATOM 1306 O ASP A 84 -10.381 -9.774 9.076 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.818 -12.691 9.403 1.00 0.00 C ATOM 1308 CG ASP A 84 -7.604 -12.480 10.303 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -7.734 -11.771 11.286 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -6.559 -13.027 9.990 1.00 0.00 O ATOM 0 H ASP A 84 -6.976 -12.165 7.886 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.708 -11.748 7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.726 -12.736 10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.735 -13.644 8.881 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.264 -9.698 9.818 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.477 -8.462 10.559 1.00 0.00 C ATOM 1317 C ASP A 85 -8.802 -7.319 9.604 1.00 0.00 C ATOM 1318 O ASP A 85 -9.697 -6.517 9.856 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.212 -8.122 11.373 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.203 -7.322 10.533 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -6.530 -6.205 10.156 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.125 -7.831 10.286 1.00 0.00 O ATOM 0 H ASP A 85 -7.318 -10.076 9.879 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.319 -8.598 11.238 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.490 -7.547 12.256 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.746 -9.042 11.725 1.00 0.00 H new ATOM 1327 N MET A 86 -8.056 -7.254 8.508 1.00 0.00 N ATOM 1328 CA MET A 86 -8.262 -6.204 7.527 1.00 0.00 C ATOM 1329 C MET A 86 -9.660 -6.327 6.947 1.00 0.00 C ATOM 1330 O MET A 86 -10.388 -5.344 6.805 1.00 0.00 O ATOM 1331 CB MET A 86 -7.231 -6.352 6.397 1.00 0.00 C ATOM 1332 CG MET A 86 -5.829 -5.884 6.853 1.00 0.00 C ATOM 1333 SD MET A 86 -5.009 -4.998 5.501 1.00 0.00 S ATOM 1334 CE MET A 86 -5.592 -3.350 5.949 1.00 0.00 C ATOM 0 H MET A 86 -7.310 -7.911 8.280 1.00 0.00 H new ATOM 0 HA MET A 86 -8.145 -5.231 8.004 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.184 -7.393 6.079 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.549 -5.769 5.533 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.917 -5.235 7.724 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.229 -6.743 7.154 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.618 -2.719 5.060 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.593 -3.421 6.373 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.917 -2.913 6.684 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.021 -7.558 6.629 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.327 -7.856 6.079 1.00 0.00 C ATOM 1346 C VAL A 87 -12.415 -7.671 7.130 1.00 0.00 C ATOM 1347 O VAL A 87 -13.482 -7.133 6.840 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.341 -9.291 5.551 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.757 -9.665 5.101 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.377 -9.397 4.365 1.00 0.00 C ATOM 0 H VAL A 87 -9.419 -8.373 6.745 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.529 -7.165 5.261 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.029 -9.974 6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.761 -10.688 4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.440 -9.586 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.078 -8.987 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.381 -10.418 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.693 -8.713 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.370 -9.136 4.690 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.142 -8.127 8.353 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.101 -8.018 9.436 1.00 0.00 C ATOM 1362 C ARG A 88 -13.266 -6.576 9.901 1.00 0.00 C ATOM 1363 O ARG A 88 -14.386 -6.095 10.079 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.609 -8.886 10.599 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.524 -8.706 11.800 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.177 -9.731 12.880 1.00 0.00 C ATOM 1367 NE ARG A 88 -14.005 -9.511 14.063 1.00 0.00 N ATOM 1368 CZ ARG A 88 -13.594 -8.736 15.063 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -13.030 -7.586 14.809 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -13.752 -9.123 16.297 1.00 0.00 N ATOM 0 H ARG A 88 -11.263 -8.574 8.611 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.075 -8.357 9.082 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.589 -9.934 10.299 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.588 -8.611 10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.421 -7.697 12.198 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.564 -8.824 11.496 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.334 -10.740 12.499 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.123 -9.650 13.144 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.918 -9.961 14.124 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.904 -7.282 13.844 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.715 -6.992 15.576 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.191 -10.021 16.497 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.436 -8.528 17.063 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.148 -5.893 10.105 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.196 -4.511 10.561 1.00 0.00 C ATOM 1386 C LEU A 89 -12.819 -3.623 9.491 1.00 0.00 C ATOM 1387 O LEU A 89 -13.711 -2.820 9.771 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.776 -4.016 10.868 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.214 -4.737 12.108 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.720 -4.416 12.242 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.954 -4.277 13.381 1.00 0.00 C ATOM 0 H LEU A 89 -11.209 -6.267 9.964 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.804 -4.462 11.464 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.128 -4.195 10.010 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.788 -2.940 11.039 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.357 -5.811 11.989 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.316 -4.923 13.118 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.193 -4.756 11.350 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.588 -3.340 12.353 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.545 -4.796 14.248 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.826 -3.202 13.508 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.015 -4.507 13.288 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.302 -3.742 8.275 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.772 -2.910 7.177 1.00 0.00 C ATOM 1405 C ALA A 90 -12.479 -1.459 7.544 1.00 0.00 C ATOM 1406 O ALA A 90 -13.121 -0.528 7.061 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.275 -3.115 6.952 1.00 0.00 C ATOM 0 H ALA A 90 -11.564 -4.400 8.026 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.264 -3.179 6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.609 -2.485 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.468 -4.160 6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.819 -2.845 7.858 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.480 -1.317 8.413 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.025 -0.019 8.904 1.00 0.00 C ATOM 1415 C VAL A 91 -9.623 -0.165 9.517 1.00 0.00 C ATOM 1416 O VAL A 91 -9.497 -0.416 10.714 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.989 0.509 9.985 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.385 1.754 10.663 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.340 0.878 9.351 1.00 0.00 C ATOM 0 H VAL A 91 -10.960 -2.105 8.799 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.998 0.682 8.069 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.142 -0.272 10.730 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.071 2.122 11.426 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.434 1.491 11.127 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.221 2.531 9.917 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.014 1.250 10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.189 1.651 8.597 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.776 -0.005 8.883 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.573 -0.016 8.742 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.185 -0.136 9.266 1.00 0.00 C ATOM 1431 C PRO A 92 -6.804 1.081 10.108 1.00 0.00 C ATOM 1432 O PRO A 92 -7.626 1.965 10.348 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.292 -0.256 8.009 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.215 -0.210 6.818 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.582 0.278 7.308 1.00 0.00 C ATOM 0 HA PRO A 92 -7.071 -0.996 9.926 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.568 0.558 7.969 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.725 -1.187 8.024 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.821 0.460 6.054 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.302 -1.197 6.363 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.716 1.343 7.120 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.396 -0.240 6.800 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.548 1.115 10.543 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.044 2.224 11.348 1.00 0.00 C ATOM 1445 C ASP A 93 -3.922 2.945 10.607 1.00 0.00 C ATOM 1446 O ASP A 93 -2.987 2.321 10.106 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.553 1.705 12.701 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.743 1.233 13.530 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.782 1.870 13.455 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.598 0.242 14.227 1.00 0.00 O ATOM 0 H ASP A 93 -4.860 0.387 10.352 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.852 2.935 11.521 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.851 0.884 12.554 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.017 2.492 13.231 1.00 0.00 H new ATOM 1455 N SER A 94 -4.044 4.263 10.523 1.00 0.00 N ATOM 1456 CA SER A 94 -3.058 5.078 9.821 1.00 0.00 C ATOM 1457 C SER A 94 -1.647 4.731 10.269 1.00 0.00 C ATOM 1458 O SER A 94 -0.703 4.772 9.477 1.00 0.00 O ATOM 1459 CB SER A 94 -3.327 6.557 10.089 1.00 0.00 C ATOM 1460 OG SER A 94 -4.657 6.869 9.696 1.00 0.00 O ATOM 0 H SER A 94 -4.815 4.792 10.931 1.00 0.00 H new ATOM 0 HA SER A 94 -3.143 4.874 8.754 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.186 6.779 11.147 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.618 7.174 9.537 1.00 0.00 H new ATOM 0 HG SER A 94 -4.835 7.817 9.868 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.510 4.374 11.535 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.213 3.999 12.073 1.00 0.00 C ATOM 1468 C LYS A 95 0.195 2.627 11.572 1.00 0.00 C ATOM 1469 O LYS A 95 1.372 2.372 11.325 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.263 3.982 13.598 1.00 0.00 C ATOM 1471 CG LYS A 95 1.139 3.733 14.163 1.00 0.00 C ATOM 1472 CD LYS A 95 1.091 3.818 15.692 1.00 0.00 C ATOM 1473 CE LYS A 95 2.487 3.567 16.269 1.00 0.00 C ATOM 1474 NZ LYS A 95 3.414 4.643 15.819 1.00 0.00 N ATOM 0 H LYS A 95 -2.277 4.336 12.207 1.00 0.00 H new ATOM 0 HA LYS A 95 0.520 4.734 11.739 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.651 4.931 13.968 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.946 3.204 13.939 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.500 2.752 13.853 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.839 4.469 13.768 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.731 4.800 16.000 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.388 3.083 16.084 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.443 3.543 17.358 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.857 2.595 15.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.246 4.667 16.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.718 4.454 14.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.926 5.560 15.858 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.784 1.735 11.433 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.500 0.386 10.977 1.00 0.00 C ATOM 1490 C CYS A 96 -0.003 0.398 9.536 1.00 0.00 C ATOM 1491 O CYS A 96 1.029 -0.194 9.216 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.766 -0.474 11.074 1.00 0.00 C ATOM 1493 SG CYS A 96 -1.971 -1.061 12.774 1.00 0.00 S ATOM 0 H CYS A 96 -1.767 1.923 11.628 1.00 0.00 H new ATOM 0 HA CYS A 96 0.278 -0.035 11.613 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.637 0.107 10.772 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.696 -1.321 10.392 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.046 -1.788 12.855 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.746 1.085 8.676 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.377 1.182 7.272 1.00 0.00 C ATOM 1501 C VAL A 97 0.961 1.882 7.164 1.00 0.00 C ATOM 1502 O VAL A 97 1.848 1.451 6.436 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.423 1.994 6.508 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.031 2.087 5.033 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.792 1.324 6.636 1.00 0.00 C ATOM 0 H VAL A 97 -1.602 1.580 8.926 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.319 0.180 6.846 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.473 2.998 6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.780 2.667 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.061 2.576 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.973 1.085 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.534 1.906 6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.744 0.317 6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.074 1.271 7.687 1.00 0.00 H new ATOM 1515 N TYR A 98 1.102 2.965 7.914 1.00 0.00 N ATOM 1516 CA TYR A 98 2.335 3.726 7.908 1.00 0.00 C ATOM 1517 C TYR A 98 3.499 2.838 8.312 1.00 0.00 C ATOM 1518 O TYR A 98 4.523 2.792 7.633 1.00 0.00 O ATOM 1519 CB TYR A 98 2.210 4.889 8.895 1.00 0.00 C ATOM 1520 CG TYR A 98 3.545 5.579 9.042 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.524 5.026 9.876 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.803 6.757 8.344 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.765 5.655 10.009 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.047 7.392 8.479 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.027 6.838 9.311 1.00 0.00 C ATOM 1526 OH TYR A 98 7.254 7.456 9.437 1.00 0.00 O ATOM 0 H TYR A 98 0.378 3.333 8.531 1.00 0.00 H new ATOM 0 HA TYR A 98 2.517 4.110 6.904 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.460 5.598 8.543 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.871 4.521 9.864 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.320 4.113 10.417 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.047 7.181 7.700 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.521 5.228 10.651 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.248 8.307 7.942 1.00 0.00 H new ATOM 0 HH TYR A 98 7.271 8.265 8.885 1.00 0.00 H new ATOM 1536 N THR A 99 3.336 2.139 9.427 1.00 0.00 N ATOM 1537 CA THR A 99 4.386 1.264 9.915 1.00 0.00 C ATOM 1538 C THR A 99 4.725 0.222 8.862 1.00 0.00 C ATOM 1539 O THR A 99 5.897 -0.062 8.613 1.00 0.00 O ATOM 1540 CB THR A 99 3.940 0.569 11.202 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.423 1.534 12.108 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.136 -0.139 11.839 1.00 0.00 C ATOM 0 H THR A 99 2.495 2.162 10.004 1.00 0.00 H new ATOM 0 HA THR A 99 5.271 1.864 10.125 1.00 0.00 H new ATOM 0 HB THR A 99 3.166 -0.162 10.970 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.453 1.606 11.991 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.819 -0.635 12.757 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.532 -0.880 11.145 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.911 0.592 12.071 1.00 0.00 H new ATOM 1550 N TYR A 100 3.698 -0.338 8.229 1.00 0.00 N ATOM 1551 CA TYR A 100 3.899 -1.338 7.194 1.00 0.00 C ATOM 1552 C TYR A 100 4.669 -0.735 6.024 1.00 0.00 C ATOM 1553 O TYR A 100 5.666 -1.288 5.562 1.00 0.00 O ATOM 1554 CB TYR A 100 2.536 -1.799 6.693 1.00 0.00 C ATOM 1555 CG TYR A 100 2.711 -3.004 5.814 1.00 0.00 C ATOM 1556 CD1 TYR A 100 3.013 -2.841 4.460 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.564 -4.284 6.351 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.169 -3.963 3.640 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.721 -5.408 5.534 1.00 0.00 C ATOM 1560 CZ TYR A 100 3.024 -5.247 4.177 1.00 0.00 C ATOM 1561 OH TYR A 100 3.180 -6.352 3.368 1.00 0.00 O ATOM 0 H TYR A 100 2.721 -0.114 8.417 1.00 0.00 H new ATOM 0 HA TYR A 100 4.464 -2.174 7.605 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.889 -2.041 7.536 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.050 -0.997 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.126 -1.850 4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.329 -4.406 7.398 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.401 -3.839 2.593 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.609 -6.399 5.949 1.00 0.00 H new ATOM 0 HH TYR A 100 4.049 -6.307 2.917 1.00 0.00 H new ATOM 1571 N ILE A 101 4.181 0.412 5.564 1.00 0.00 N ATOM 1572 CA ILE A 101 4.802 1.118 4.451 1.00 0.00 C ATOM 1573 C ILE A 101 6.227 1.493 4.836 1.00 0.00 C ATOM 1574 O ILE A 101 7.154 1.381 4.032 1.00 0.00 O ATOM 1575 CB ILE A 101 3.989 2.383 4.115 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.628 1.997 3.487 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.776 3.285 3.159 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.806 1.236 2.162 1.00 0.00 C ATOM 0 H ILE A 101 3.355 0.873 5.946 1.00 0.00 H new ATOM 0 HA ILE A 101 4.822 0.476 3.571 1.00 0.00 H new ATOM 0 HB ILE A 101 3.805 2.931 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.066 1.380 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.039 2.898 3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.188 4.174 2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.715 3.581 3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.986 2.743 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.828 0.983 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.345 1.863 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.372 0.322 2.341 1.00 0.00 H new ATOM 1590 N GLN A 102 6.385 1.937 6.075 1.00 0.00 N ATOM 1591 CA GLN A 102 7.690 2.328 6.589 1.00 0.00 C ATOM 1592 C GLN A 102 8.727 1.246 6.317 1.00 0.00 C ATOM 1593 O GLN A 102 9.710 1.475 5.612 1.00 0.00 O ATOM 1594 CB GLN A 102 7.609 2.542 8.099 1.00 0.00 C ATOM 1595 CG GLN A 102 8.858 3.287 8.576 1.00 0.00 C ATOM 1596 CD GLN A 102 8.830 3.443 10.092 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.789 2.450 10.818 1.00 0.00 O ATOM 1598 NE2 GLN A 102 8.852 4.636 10.617 1.00 0.00 N ATOM 0 H GLN A 102 5.622 2.036 6.745 1.00 0.00 H new ATOM 0 HA GLN A 102 7.985 3.249 6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.714 3.113 8.349 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.528 1.582 8.609 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.753 2.742 8.276 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.908 4.268 8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.886 5.458 10.014 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.835 4.747 11.631 1.00 0.00 H new ATOM 1607 N GLU A 103 8.507 0.073 6.903 1.00 0.00 N ATOM 1608 CA GLU A 103 9.442 -1.026 6.731 1.00 0.00 C ATOM 1609 C GLU A 103 9.583 -1.359 5.253 1.00 0.00 C ATOM 1610 O GLU A 103 10.692 -1.539 4.743 1.00 0.00 O ATOM 1611 CB GLU A 103 8.949 -2.242 7.509 1.00 0.00 C ATOM 1612 CG GLU A 103 9.059 -1.968 9.012 1.00 0.00 C ATOM 1613 CD GLU A 103 8.499 -3.147 9.800 1.00 0.00 C ATOM 1614 OE1 GLU A 103 8.015 -4.073 9.175 1.00 0.00 O ATOM 1615 OE2 GLU A 103 8.561 -3.103 11.018 1.00 0.00 O ATOM 0 H GLU A 103 7.701 -0.136 7.492 1.00 0.00 H new ATOM 0 HA GLU A 103 10.420 -0.735 7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.915 -2.462 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.539 -3.119 7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.101 -1.800 9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.513 -1.059 9.265 1.00 0.00 H new ATOM 1622 N LEU A 104 8.452 -1.439 4.571 1.00 0.00 N ATOM 1623 CA LEU A 104 8.436 -1.752 3.151 1.00 0.00 C ATOM 1624 C LEU A 104 9.221 -0.721 2.362 1.00 0.00 C ATOM 1625 O LEU A 104 10.018 -1.064 1.494 1.00 0.00 O ATOM 1626 CB LEU A 104 6.988 -1.721 2.683 1.00 0.00 C ATOM 1627 CG LEU A 104 6.871 -2.059 1.189 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.378 -3.483 0.922 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.400 -1.946 0.769 1.00 0.00 C ATOM 0 H LEU A 104 7.529 -1.291 4.980 1.00 0.00 H new ATOM 0 HA LEU A 104 8.888 -2.731 2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.401 -2.432 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.566 -0.733 2.868 1.00 0.00 H new ATOM 0 HG LEU A 104 7.479 -1.362 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.289 -3.708 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.423 -3.559 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.783 -4.194 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.305 -2.184 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.800 -2.644 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.048 -0.930 0.946 1.00 0.00 H new ATOM 1641 N TYR A 105 8.984 0.543 2.674 1.00 0.00 N ATOM 1642 CA TYR A 105 9.661 1.630 1.984 1.00 0.00 C ATOM 1643 C TYR A 105 11.155 1.412 2.035 1.00 0.00 C ATOM 1644 O TYR A 105 11.859 1.534 1.032 1.00 0.00 O ATOM 1645 CB TYR A 105 9.326 2.942 2.689 1.00 0.00 C ATOM 1646 CG TYR A 105 9.951 4.102 1.953 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.344 4.596 0.794 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.129 4.688 2.434 1.00 0.00 C ATOM 1649 CE1 TYR A 105 9.914 5.676 0.113 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.699 5.769 1.750 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.091 6.262 0.591 1.00 0.00 C ATOM 1652 OH TYR A 105 11.653 7.327 -0.083 1.00 0.00 O ATOM 0 H TYR A 105 8.330 0.841 3.398 1.00 0.00 H new ATOM 0 HA TYR A 105 9.335 1.664 0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.245 3.072 2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.690 2.915 3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.435 4.144 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.596 4.307 3.330 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.446 6.058 -0.782 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.608 6.222 2.117 1.00 0.00 H new ATOM 0 HH TYR A 105 12.466 7.616 0.382 1.00 0.00 H new ATOM 1662 N ARG A 106 11.629 1.116 3.225 1.00 0.00 N ATOM 1663 CA ARG A 106 13.044 0.910 3.443 1.00 0.00 C ATOM 1664 C ARG A 106 13.567 -0.244 2.599 1.00 0.00 C ATOM 1665 O ARG A 106 14.670 -0.168 2.064 1.00 0.00 O ATOM 1666 CB ARG A 106 13.278 0.653 4.926 1.00 0.00 C ATOM 1667 CG ARG A 106 13.036 1.959 5.684 1.00 0.00 C ATOM 1668 CD ARG A 106 13.227 1.739 7.179 1.00 0.00 C ATOM 1669 NE ARG A 106 12.982 2.981 7.898 1.00 0.00 N ATOM 1670 CZ ARG A 106 13.396 3.141 9.148 1.00 0.00 C ATOM 1671 NH1 ARG A 106 12.807 2.494 10.116 1.00 0.00 N ATOM 1672 NH2 ARG A 106 14.390 3.944 9.406 1.00 0.00 N ATOM 0 H ARG A 106 11.053 1.012 4.060 1.00 0.00 H new ATOM 0 HA ARG A 106 13.591 1.802 3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.606 -0.126 5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.295 0.299 5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.724 2.727 5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.027 2.321 5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.546 0.964 7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.240 1.388 7.377 1.00 0.00 H new ATOM 0 HE ARG A 106 12.484 3.740 7.433 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.030 1.866 9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.124 2.616 11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.848 4.448 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.709 4.068 10.367 1.00 0.00 H new ATOM 1686 N SER A 107 12.771 -1.299 2.456 1.00 0.00 N ATOM 1687 CA SER A 107 13.188 -2.435 1.641 1.00 0.00 C ATOM 1688 C SER A 107 13.418 -1.982 0.196 1.00 0.00 C ATOM 1689 O SER A 107 14.371 -2.408 -0.458 1.00 0.00 O ATOM 1690 CB SER A 107 12.129 -3.536 1.676 1.00 0.00 C ATOM 1691 OG SER A 107 12.587 -4.649 0.917 1.00 0.00 O ATOM 0 H SER A 107 11.850 -1.392 2.885 1.00 0.00 H new ATOM 0 HA SER A 107 14.118 -2.832 2.047 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.934 -3.838 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.188 -3.165 1.269 1.00 0.00 H new ATOM 0 HG SER A 107 11.912 -5.359 0.937 1.00 0.00 H new ATOM 1697 N LEU A 108 12.535 -1.117 -0.298 1.00 0.00 N ATOM 1698 CA LEU A 108 12.654 -0.604 -1.660 1.00 0.00 C ATOM 1699 C LEU A 108 13.869 0.305 -1.801 1.00 0.00 C ATOM 1700 O LEU A 108 14.530 0.319 -2.840 1.00 0.00 O ATOM 1701 CB LEU A 108 11.414 0.200 -2.046 1.00 0.00 C ATOM 1702 CG LEU A 108 10.138 -0.603 -1.791 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.926 0.314 -1.976 1.00 0.00 C ATOM 1704 CD2 LEU A 108 10.039 -1.764 -2.781 1.00 0.00 C ATOM 0 H LEU A 108 11.734 -0.758 0.221 1.00 0.00 H new ATOM 0 HA LEU A 108 12.761 -1.467 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.385 1.127 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.469 0.477 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 108 10.162 -0.999 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.011 -0.251 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.986 1.143 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.917 0.704 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.126 -2.329 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.018 -1.374 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.902 -2.419 -2.662 1.00 0.00 H new ATOM 1716 N VAL A 109 14.138 1.098 -0.765 1.00 0.00 N ATOM 1717 CA VAL A 109 15.249 2.035 -0.805 1.00 0.00 C ATOM 1718 C VAL A 109 16.578 1.300 -0.928 1.00 0.00 C ATOM 1719 O VAL A 109 17.399 1.633 -1.783 1.00 0.00 O ATOM 1720 CB VAL A 109 15.232 2.896 0.462 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.513 3.728 0.542 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.022 3.833 0.414 1.00 0.00 C ATOM 0 H VAL A 109 13.604 1.108 0.104 1.00 0.00 H new ATOM 0 HA VAL A 109 15.139 2.674 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 109 15.169 2.251 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.495 4.338 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.377 3.064 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.581 4.376 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.003 4.449 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.093 4.475 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.107 3.243 0.359 1.00 0.00 H new ATOM 1732 N GLN A 110 16.779 0.290 -0.088 1.00 0.00 N ATOM 1733 CA GLN A 110 18.014 -0.478 -0.144 1.00 0.00 C ATOM 1734 C GLN A 110 18.090 -1.213 -1.474 1.00 0.00 C ATOM 1735 O GLN A 110 19.140 -1.259 -2.110 1.00 0.00 O ATOM 1736 CB GLN A 110 18.085 -1.479 1.019 1.00 0.00 C ATOM 1737 CG GLN A 110 16.847 -2.382 1.010 1.00 0.00 C ATOM 1738 CD GLN A 110 16.849 -3.310 2.222 1.00 0.00 C ATOM 1739 OE1 GLN A 110 17.391 -2.965 3.272 1.00 0.00 O ATOM 1740 NE2 GLN A 110 16.259 -4.475 2.140 1.00 0.00 N ATOM 0 H GLN A 110 16.116 -0.011 0.626 1.00 0.00 H new ATOM 0 HA GLN A 110 18.860 0.204 -0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.987 -2.084 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.148 -0.944 1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.945 -1.771 1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.827 -2.972 0.094 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.810 -4.759 1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.248 -5.099 2.947 1.00 0.00 H new ATOM 1749 N LYS A 111 16.961 -1.773 -1.890 1.00 0.00 N ATOM 1750 CA LYS A 111 16.898 -2.499 -3.149 1.00 0.00 C ATOM 1751 C LYS A 111 17.157 -1.548 -4.319 1.00 0.00 C ATOM 1752 O LYS A 111 17.487 -1.983 -5.422 1.00 0.00 O ATOM 1753 CB LYS A 111 15.517 -3.165 -3.303 1.00 0.00 C ATOM 1754 CG LYS A 111 15.447 -4.456 -2.467 1.00 0.00 C ATOM 1755 CD LYS A 111 14.046 -5.071 -2.577 1.00 0.00 C ATOM 1756 CE LYS A 111 13.942 -6.296 -1.660 1.00 0.00 C ATOM 1757 NZ LYS A 111 14.939 -7.323 -2.079 1.00 0.00 N ATOM 0 H LYS A 111 16.081 -1.738 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 111 17.666 -3.272 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.736 -2.475 -2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.331 -3.393 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.195 -5.168 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.678 -4.238 -1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.293 -4.333 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.846 -5.360 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.120 -6.004 -0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.936 -6.712 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.492 -8.262 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.282 -7.104 -3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.740 -7.320 -1.415 1.00 0.00 H new ATOM 1771 N GLY A 112 16.996 -0.248 -4.072 1.00 0.00 N ATOM 1772 CA GLY A 112 17.205 0.752 -5.119 1.00 0.00 C ATOM 1773 C GLY A 112 16.020 0.750 -6.071 1.00 0.00 C ATOM 1774 O GLY A 112 16.110 1.216 -7.208 1.00 0.00 O ATOM 0 H GLY A 112 16.724 0.134 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.325 1.740 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.123 0.535 -5.665 1.00 0.00 H new ATOM 1778 N LEU A 113 14.908 0.230 -5.574 1.00 0.00 N ATOM 1779 CA LEU A 113 13.674 0.165 -6.339 1.00 0.00 C ATOM 1780 C LEU A 113 13.040 1.551 -6.475 1.00 0.00 C ATOM 1781 O LEU A 113 12.592 1.941 -7.555 1.00 0.00 O ATOM 1782 CB LEU A 113 12.706 -0.795 -5.622 1.00 0.00 C ATOM 1783 CG LEU A 113 12.926 -2.244 -6.099 1.00 0.00 C ATOM 1784 CD1 LEU A 113 12.362 -3.219 -5.056 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.208 -2.468 -7.445 1.00 0.00 C ATOM 0 H LEU A 113 14.836 -0.157 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 113 13.889 -0.199 -7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.857 -0.734 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.677 -0.495 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 113 13.994 -2.419 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.518 -4.244 -5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.872 -3.069 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.295 -3.038 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.368 -3.494 -7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.140 -2.288 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.608 -1.780 -8.190 1.00 0.00 H new ATOM 1797 N VAL A 114 12.988 2.277 -5.362 1.00 0.00 N ATOM 1798 CA VAL A 114 12.386 3.610 -5.355 1.00 0.00 C ATOM 1799 C VAL A 114 13.254 4.610 -6.119 1.00 0.00 C ATOM 1800 O VAL A 114 12.746 5.574 -6.691 1.00 0.00 O ATOM 1801 CB VAL A 114 12.143 4.065 -3.896 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.016 5.594 -3.813 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.843 3.420 -3.358 1.00 0.00 C ATOM 0 H VAL A 114 13.351 1.970 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 114 11.425 3.567 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 114 12.995 3.749 -3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.846 5.889 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 114 12.934 6.056 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.178 5.923 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.675 3.743 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.001 3.728 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.937 2.334 -3.387 1.00 0.00 H new