USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 44 SER OG : rot 28:sc= 0.195 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 72:sc=0.000339 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0122) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -170:sc= -1.12 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0241) USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= 1.15 (180deg=-0.496) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.965 K(o=0.97,f=0) USER MOD Single : A 77 TYR OH : rot -38:sc= 0.324 USER MOD Single : A 82 SER OG : rot -56:sc= 0.029 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0299 F(o=-1.3,f=-0.03) USER MOD Single : A 92 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.022) USER MOD Single : A 95 LYS NZ :NH3+ -137:sc= -1.98! (180deg=-4.64!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -1.99! C(o=-2!,f=-4.6!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0106) USER MOD ----------------------------------------------------------------- ATOM 76 N SER A 44 13.820 -5.419 6.772 1.00 0.00 N ATOM 77 CA SER A 44 12.645 -5.958 7.453 1.00 0.00 C ATOM 78 C SER A 44 11.716 -4.860 7.973 1.00 0.00 C ATOM 79 O SER A 44 11.304 -4.881 9.135 1.00 0.00 O ATOM 80 CB SER A 44 13.080 -6.862 8.606 1.00 0.00 C ATOM 81 OG SER A 44 14.022 -7.828 8.172 1.00 0.00 O ATOM 0 HA SER A 44 12.083 -6.536 6.720 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.515 -6.257 9.401 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.209 -7.363 9.027 1.00 0.00 H new ATOM 0 HG SER A 44 14.522 -7.476 7.406 1.00 0.00 H new ATOM 87 N LYS A 45 11.289 -3.975 7.086 1.00 0.00 N ATOM 88 CA LYS A 45 10.278 -2.989 7.439 1.00 0.00 C ATOM 89 C LYS A 45 8.898 -3.609 7.313 1.00 0.00 C ATOM 90 O LYS A 45 8.609 -4.283 6.324 1.00 0.00 O ATOM 91 CB LYS A 45 10.355 -1.755 6.540 1.00 0.00 C ATOM 92 CG LYS A 45 11.653 -0.979 6.654 1.00 0.00 C ATOM 93 CD LYS A 45 11.898 -0.522 8.079 1.00 0.00 C ATOM 94 CE LYS A 45 12.989 0.532 8.146 1.00 0.00 C ATOM 95 NZ LYS A 45 13.177 1.052 9.525 1.00 0.00 N ATOM 0 H LYS A 45 11.623 -3.918 6.124 1.00 0.00 H new ATOM 0 HA LYS A 45 10.463 -2.676 8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.221 -2.066 5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.526 -1.091 6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.483 -1.603 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.621 -0.113 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.975 -0.119 8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.179 -1.377 8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.927 0.106 7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.738 1.357 7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.931 1.769 9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.290 1.481 9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.442 0.270 10.158 1.00 0.00 H new ATOM 109 N SER A 46 8.029 -3.325 8.264 1.00 0.00 N ATOM 110 CA SER A 46 6.656 -3.781 8.171 1.00 0.00 C ATOM 111 C SER A 46 5.926 -2.977 7.105 1.00 0.00 C ATOM 112 O SER A 46 5.779 -1.758 7.224 1.00 0.00 O ATOM 113 CB SER A 46 5.952 -3.643 9.520 1.00 0.00 C ATOM 114 OG SER A 46 6.632 -4.377 10.526 1.00 0.00 O ATOM 0 H SER A 46 8.246 -2.786 9.102 1.00 0.00 H new ATOM 0 HA SER A 46 6.649 -4.835 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.903 -2.591 9.803 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.925 -3.999 9.436 1.00 0.00 H new ATOM 0 HG SER A 46 6.164 -4.272 11.380 1.00 0.00 H new ATOM 120 N TYR A 47 5.505 -3.660 6.050 1.00 0.00 N ATOM 121 CA TYR A 47 4.819 -3.014 4.941 1.00 0.00 C ATOM 122 C TYR A 47 3.517 -2.392 5.410 1.00 0.00 C ATOM 123 O TYR A 47 3.103 -1.360 4.898 1.00 0.00 O ATOM 124 CB TYR A 47 4.551 -3.997 3.802 1.00 0.00 C ATOM 125 CG TYR A 47 5.786 -4.342 2.997 1.00 0.00 C ATOM 126 CD1 TYR A 47 6.889 -4.926 3.604 1.00 0.00 C ATOM 127 CD2 TYR A 47 5.848 -4.084 1.635 1.00 0.00 C ATOM 128 CE1 TYR A 47 8.019 -5.245 2.874 1.00 0.00 C ATOM 129 CE2 TYR A 47 6.973 -4.399 0.900 1.00 0.00 C ATOM 130 CZ TYR A 47 8.050 -4.972 1.513 1.00 0.00 C ATOM 131 OH TYR A 47 9.176 -5.292 0.789 1.00 0.00 O ATOM 0 H TYR A 47 5.628 -4.667 5.939 1.00 0.00 H new ATOM 0 HA TYR A 47 5.472 -2.227 4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.129 -4.913 4.215 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.800 -3.572 3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.864 -5.135 4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.002 -3.629 1.142 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.869 -5.702 3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.001 -4.192 -0.160 1.00 0.00 H new ATOM 0 HH TYR A 47 9.231 -6.265 0.683 1.00 0.00 H new ATOM 141 N ARG A 48 2.916 -3.000 6.424 1.00 0.00 N ATOM 142 CA ARG A 48 1.684 -2.493 7.015 1.00 0.00 C ATOM 143 C ARG A 48 1.828 -1.024 7.403 1.00 0.00 C ATOM 144 O ARG A 48 0.988 -0.195 7.058 1.00 0.00 O ATOM 145 CB ARG A 48 1.335 -3.307 8.256 1.00 0.00 C ATOM 146 CG ARG A 48 -0.003 -2.934 8.859 1.00 0.00 C ATOM 147 CD ARG A 48 -0.189 -3.563 10.225 1.00 0.00 C ATOM 148 NE ARG A 48 -1.564 -3.434 10.691 1.00 0.00 N ATOM 149 CZ ARG A 48 -1.975 -3.757 11.911 1.00 0.00 C ATOM 150 NH1 ARG A 48 -1.100 -4.132 12.837 1.00 0.00 N ATOM 151 NH2 ARG A 48 -3.263 -3.685 12.207 1.00 0.00 N ATOM 0 H ARG A 48 3.266 -3.854 6.858 1.00 0.00 H new ATOM 0 HA ARG A 48 0.890 -2.583 6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.327 -4.366 7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.115 -3.168 9.005 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.076 -1.850 8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.805 -3.257 8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.084 -4.617 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.484 -3.089 10.939 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.257 -3.071 10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.106 -4.173 12.612 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.422 -4.379 13.773 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.933 -3.383 11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.586 -3.932 13.143 1.00 0.00 H new ATOM 165 N GLU A 49 2.919 -0.712 8.097 1.00 0.00 N ATOM 166 CA GLU A 49 3.194 0.652 8.534 1.00 0.00 C ATOM 167 C GLU A 49 3.357 1.563 7.333 1.00 0.00 C ATOM 168 O GLU A 49 2.809 2.662 7.288 1.00 0.00 O ATOM 169 CB GLU A 49 4.480 0.699 9.359 1.00 0.00 C ATOM 170 CG GLU A 49 4.607 -0.418 10.376 1.00 0.00 C ATOM 171 CD GLU A 49 3.591 -0.329 11.504 1.00 0.00 C ATOM 172 OE1 GLU A 49 2.720 0.568 11.472 1.00 0.00 O ATOM 173 OE2 GLU A 49 3.663 -1.160 12.434 1.00 0.00 O ATOM 0 H GLU A 49 3.630 -1.390 8.370 1.00 0.00 H new ATOM 0 HA GLU A 49 2.355 0.987 9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.334 0.658 8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.530 1.656 9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.492 -1.376 9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.611 -0.401 10.800 1.00 0.00 H new ATOM 180 N LEU A 50 4.139 1.091 6.378 1.00 0.00 N ATOM 181 CA LEU A 50 4.438 1.836 5.163 1.00 0.00 C ATOM 182 C LEU A 50 3.165 2.142 4.389 1.00 0.00 C ATOM 183 O LEU A 50 2.935 3.275 3.962 1.00 0.00 O ATOM 184 CB LEU A 50 5.382 1.013 4.282 1.00 0.00 C ATOM 185 CG LEU A 50 6.882 1.084 4.617 1.00 0.00 C ATOM 186 CD1 LEU A 50 7.139 1.278 6.100 1.00 0.00 C ATOM 187 CD2 LEU A 50 7.560 -0.190 4.161 1.00 0.00 C ATOM 0 H LEU A 50 4.588 0.176 6.422 1.00 0.00 H new ATOM 0 HA LEU A 50 4.911 2.778 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.071 -0.031 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.249 1.334 3.249 1.00 0.00 H new ATOM 0 HG LEU A 50 7.289 1.950 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.213 1.321 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.678 2.209 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.711 0.444 6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.623 -0.141 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.113 -1.043 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.433 -0.305 3.085 1.00 0.00 H new ATOM 199 N ILE A 51 2.353 1.113 4.204 1.00 0.00 N ATOM 200 CA ILE A 51 1.118 1.233 3.457 1.00 0.00 C ATOM 201 C ILE A 51 0.150 2.169 4.152 1.00 0.00 C ATOM 202 O ILE A 51 -0.320 3.112 3.544 1.00 0.00 O ATOM 203 CB ILE A 51 0.449 -0.138 3.255 1.00 0.00 C ATOM 204 CG1 ILE A 51 1.368 -1.049 2.445 1.00 0.00 C ATOM 205 CG2 ILE A 51 -0.900 0.014 2.560 1.00 0.00 C ATOM 206 CD1 ILE A 51 0.798 -2.425 2.214 1.00 0.00 C ATOM 0 H ILE A 51 2.533 0.177 4.567 1.00 0.00 H new ATOM 0 HA ILE A 51 1.374 1.645 2.481 1.00 0.00 H new ATOM 0 HB ILE A 51 0.275 -0.588 4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.572 -0.582 1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.323 -1.142 2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.354 -0.968 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.555 0.638 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.757 0.481 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.504 -3.018 1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.620 -2.911 3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.142 -2.342 1.669 1.00 0.00 H new ATOM 218 N ILE A 52 -0.138 1.914 5.420 1.00 0.00 N ATOM 219 CA ILE A 52 -1.096 2.731 6.155 1.00 0.00 C ATOM 220 C ILE A 52 -0.661 4.189 6.232 1.00 0.00 C ATOM 221 O ILE A 52 -1.462 5.092 5.978 1.00 0.00 O ATOM 222 CB ILE A 52 -1.344 2.190 7.575 1.00 0.00 C ATOM 223 CG1 ILE A 52 -2.173 0.907 7.492 1.00 0.00 C ATOM 224 CG2 ILE A 52 -2.044 3.242 8.422 1.00 0.00 C ATOM 225 CD1 ILE A 52 -2.435 0.240 8.823 1.00 0.00 C ATOM 0 H ILE A 52 0.274 1.153 5.960 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.030 2.677 5.595 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.391 1.959 8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.129 1.137 7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.659 0.200 6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.214 2.848 9.424 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.420 4.134 8.484 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.000 3.499 7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.029 -0.661 8.668 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.487 -0.027 9.289 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.979 0.926 9.473 1.00 0.00 H new ATOM 237 N GLU A 53 0.611 4.409 6.548 1.00 0.00 N ATOM 238 CA GLU A 53 1.163 5.757 6.654 1.00 0.00 C ATOM 239 C GLU A 53 0.909 6.540 5.372 1.00 0.00 C ATOM 240 O GLU A 53 0.521 7.708 5.408 1.00 0.00 O ATOM 241 CB GLU A 53 2.659 5.672 6.944 1.00 0.00 C ATOM 242 CG GLU A 53 3.317 6.999 7.282 1.00 0.00 C ATOM 243 CD GLU A 53 4.673 6.819 7.938 1.00 0.00 C ATOM 244 OE1 GLU A 53 4.742 6.240 9.041 1.00 0.00 O ATOM 245 OE2 GLU A 53 5.683 7.262 7.351 1.00 0.00 O ATOM 0 H GLU A 53 1.284 3.666 6.737 1.00 0.00 H new ATOM 0 HA GLU A 53 0.671 6.282 7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.816 4.983 7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.160 5.245 6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.432 7.587 6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.666 7.566 7.948 1.00 0.00 H new ATOM 252 N GLY A 54 1.037 5.858 4.244 1.00 0.00 N ATOM 253 CA GLY A 54 0.725 6.469 2.977 1.00 0.00 C ATOM 254 C GLY A 54 -0.751 6.480 2.693 1.00 0.00 C ATOM 255 O GLY A 54 -1.319 7.530 2.428 1.00 0.00 O ATOM 0 H GLY A 54 1.353 4.890 4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.101 7.492 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.241 5.932 2.181 1.00 0.00 H new ATOM 259 N LEU A 55 -1.328 5.287 2.646 1.00 0.00 N ATOM 260 CA LEU A 55 -2.717 5.061 2.247 1.00 0.00 C ATOM 261 C LEU A 55 -3.684 6.037 2.914 1.00 0.00 C ATOM 262 O LEU A 55 -4.661 6.473 2.305 1.00 0.00 O ATOM 263 CB LEU A 55 -3.088 3.626 2.609 1.00 0.00 C ATOM 264 CG LEU A 55 -4.345 3.073 1.958 1.00 0.00 C ATOM 265 CD1 LEU A 55 -4.205 3.097 0.451 1.00 0.00 C ATOM 266 CD2 LEU A 55 -4.599 1.656 2.444 1.00 0.00 C ATOM 0 H LEU A 55 -0.835 4.428 2.889 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.800 5.228 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.252 2.979 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.207 3.566 3.691 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.194 3.697 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.111 2.699 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.051 4.123 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.352 2.487 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.501 1.266 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.751 1.024 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.727 1.660 3.526 1.00 0.00 H new ATOM 278 N THR A 56 -3.400 6.380 4.158 1.00 0.00 N ATOM 279 CA THR A 56 -4.221 7.315 4.905 1.00 0.00 C ATOM 280 C THR A 56 -4.092 8.727 4.319 1.00 0.00 C ATOM 281 O THR A 56 -5.034 9.517 4.351 1.00 0.00 O ATOM 282 CB THR A 56 -3.827 7.317 6.405 1.00 0.00 C ATOM 283 OG1 THR A 56 -4.849 7.947 7.193 1.00 0.00 O ATOM 284 CG2 THR A 56 -2.500 8.030 6.634 1.00 0.00 C ATOM 0 H THR A 56 -2.598 6.020 4.676 1.00 0.00 H new ATOM 0 HA THR A 56 -5.260 6.996 4.824 1.00 0.00 H new ATOM 0 HB THR A 56 -3.718 6.277 6.713 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.586 7.939 8.137 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.256 8.012 7.696 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.714 7.525 6.072 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.580 9.064 6.298 1.00 0.00 H new ATOM 292 N ALA A 57 -2.900 9.042 3.827 1.00 0.00 N ATOM 293 CA ALA A 57 -2.599 10.369 3.311 1.00 0.00 C ATOM 294 C ALA A 57 -2.954 10.528 1.832 1.00 0.00 C ATOM 295 O ALA A 57 -3.584 11.515 1.449 1.00 0.00 O ATOM 296 CB ALA A 57 -1.128 10.689 3.534 1.00 0.00 C ATOM 0 H ALA A 57 -2.119 8.388 3.775 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.222 11.074 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.909 11.684 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.907 10.659 4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.513 9.954 3.015 1.00 0.00 H new ATOM 302 N LEU A 58 -2.453 9.634 0.976 1.00 0.00 N ATOM 303 CA LEU A 58 -2.587 9.835 -0.460 1.00 0.00 C ATOM 304 C LEU A 58 -3.849 9.178 -1.012 1.00 0.00 C ATOM 305 O LEU A 58 -3.963 8.960 -2.219 1.00 0.00 O ATOM 306 CB LEU A 58 -1.341 9.330 -1.208 1.00 0.00 C ATOM 307 CG LEU A 58 -1.307 7.839 -1.550 1.00 0.00 C ATOM 308 CD1 LEU A 58 -0.299 7.580 -2.655 1.00 0.00 C ATOM 309 CD2 LEU A 58 -0.967 6.999 -0.353 1.00 0.00 C ATOM 0 H LEU A 58 -1.962 8.783 1.249 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.677 10.909 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.248 9.895 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.464 9.562 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.305 7.558 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.283 6.516 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.581 8.144 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.691 7.894 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.953 5.947 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.014 7.285 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.715 7.154 0.425 1.00 0.00 H new ATOM 321 N LYS A 59 -4.814 8.911 -0.134 1.00 0.00 N ATOM 322 CA LYS A 59 -6.076 8.292 -0.541 1.00 0.00 C ATOM 323 C LYS A 59 -6.828 9.156 -1.559 1.00 0.00 C ATOM 324 O LYS A 59 -7.761 8.686 -2.207 1.00 0.00 O ATOM 325 CB LYS A 59 -6.981 8.032 0.677 1.00 0.00 C ATOM 326 CG LYS A 59 -7.853 9.218 1.084 1.00 0.00 C ATOM 327 CD LYS A 59 -7.036 10.320 1.744 1.00 0.00 C ATOM 328 CE LYS A 59 -7.859 11.579 1.981 1.00 0.00 C ATOM 329 NZ LYS A 59 -9.024 11.346 2.877 1.00 0.00 N ATOM 0 H LYS A 59 -4.747 9.113 0.864 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.825 7.341 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.626 7.181 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.356 7.749 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.358 9.617 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.629 8.880 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.643 9.960 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.178 10.561 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.221 12.348 2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.213 11.962 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.519 12.245 3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.676 10.670 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.693 10.959 3.784 1.00 0.00 H new ATOM 343 N GLU A 60 -6.484 10.445 -1.607 1.00 0.00 N ATOM 344 CA GLU A 60 -7.176 11.407 -2.460 1.00 0.00 C ATOM 345 C GLU A 60 -8.634 11.537 -2.024 1.00 0.00 C ATOM 346 O GLU A 60 -8.914 11.954 -0.900 1.00 0.00 O ATOM 347 CB GLU A 60 -7.090 11.007 -3.938 1.00 0.00 C ATOM 348 CG GLU A 60 -5.675 10.844 -4.461 1.00 0.00 C ATOM 349 CD GLU A 60 -5.647 10.442 -5.922 1.00 0.00 C ATOM 350 OE1 GLU A 60 -6.120 11.230 -6.774 1.00 0.00 O ATOM 351 OE2 GLU A 60 -5.136 9.345 -6.228 1.00 0.00 O ATOM 0 H GLU A 60 -5.723 10.847 -1.059 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.684 12.374 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.627 10.069 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.601 11.761 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.132 11.781 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.155 10.091 -3.869 1.00 0.00 H new ATOM 358 N ARG A 61 -9.550 11.134 -2.891 1.00 0.00 N ATOM 359 CA ARG A 61 -10.972 11.179 -2.580 1.00 0.00 C ATOM 360 C ARG A 61 -11.351 10.092 -1.578 1.00 0.00 C ATOM 361 O ARG A 61 -12.058 10.355 -0.600 1.00 0.00 O ATOM 362 CB ARG A 61 -11.798 11.007 -3.858 1.00 0.00 C ATOM 363 CG ARG A 61 -13.301 10.989 -3.620 1.00 0.00 C ATOM 364 CD ARG A 61 -14.056 10.564 -4.871 1.00 0.00 C ATOM 365 NE ARG A 61 -13.855 11.491 -5.982 1.00 0.00 N ATOM 366 CZ ARG A 61 -14.420 12.693 -6.074 1.00 0.00 C ATOM 367 NH1 ARG A 61 -15.322 13.090 -5.178 1.00 0.00 N ATOM 368 NH2 ARG A 61 -14.103 13.483 -7.089 1.00 0.00 N ATOM 0 H ARG A 61 -9.334 10.771 -3.819 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.186 12.151 -2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.558 11.817 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.506 10.077 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.533 10.306 -2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.634 11.980 -3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.730 9.568 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.120 10.497 -4.645 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.239 11.197 -6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.586 12.471 -4.412 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.748 14.013 -5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.432 13.168 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.530 14.406 -7.170 1.00 0.00 H new ATOM 382 N LYS A 62 -10.903 8.864 -1.845 1.00 0.00 N ATOM 383 CA LYS A 62 -11.267 7.706 -1.022 1.00 0.00 C ATOM 384 C LYS A 62 -10.602 6.430 -1.537 1.00 0.00 C ATOM 385 O LYS A 62 -11.113 5.329 -1.331 1.00 0.00 O ATOM 386 CB LYS A 62 -12.788 7.507 -1.023 1.00 0.00 C ATOM 387 CG LYS A 62 -13.364 7.241 -2.409 1.00 0.00 C ATOM 388 CD LYS A 62 -14.855 6.943 -2.354 1.00 0.00 C ATOM 389 CE LYS A 62 -15.647 8.136 -1.845 1.00 0.00 C ATOM 390 NZ LYS A 62 -17.103 7.846 -1.764 1.00 0.00 N ATOM 0 H LYS A 62 -10.286 8.644 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.919 7.903 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.038 6.673 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.263 8.394 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.190 8.107 -3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.842 6.399 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.208 6.669 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.031 6.085 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.279 8.421 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.483 8.988 -2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.605 8.686 -1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.461 7.599 -2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.263 7.050 -1.114 1.00 0.00 H new ATOM 404 N GLY A 63 -9.454 6.577 -2.179 1.00 0.00 N ATOM 405 CA GLY A 63 -8.742 5.420 -2.682 1.00 0.00 C ATOM 406 C GLY A 63 -7.538 5.797 -3.520 1.00 0.00 C ATOM 407 O GLY A 63 -7.658 6.537 -4.500 1.00 0.00 O ATOM 0 H GLY A 63 -9.003 7.474 -2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.418 4.804 -1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.421 4.812 -3.280 1.00 0.00 H new ATOM 411 N SER A 64 -6.389 5.261 -3.152 1.00 0.00 N ATOM 412 CA SER A 64 -5.156 5.499 -3.880 1.00 0.00 C ATOM 413 C SER A 64 -4.673 4.219 -4.537 1.00 0.00 C ATOM 414 O SER A 64 -4.644 3.163 -3.900 1.00 0.00 O ATOM 415 CB SER A 64 -4.086 6.040 -2.936 1.00 0.00 C ATOM 416 OG SER A 64 -4.180 5.434 -1.658 1.00 0.00 O ATOM 0 H SER A 64 -6.284 4.650 -2.342 1.00 0.00 H new ATOM 0 HA SER A 64 -5.348 6.238 -4.658 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.098 5.856 -3.358 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.195 7.120 -2.839 1.00 0.00 H new ATOM 0 HG SER A 64 -3.594 5.904 -1.029 1.00 0.00 H new ATOM 422 N SER A 65 -4.297 4.316 -5.804 1.00 0.00 N ATOM 423 CA SER A 65 -3.796 3.170 -6.543 1.00 0.00 C ATOM 424 C SER A 65 -2.577 2.587 -5.835 1.00 0.00 C ATOM 425 O SER A 65 -1.730 3.336 -5.348 1.00 0.00 O ATOM 426 CB SER A 65 -3.427 3.587 -7.967 1.00 0.00 C ATOM 427 OG SER A 65 -4.485 4.311 -8.580 1.00 0.00 O ATOM 0 H SER A 65 -4.330 5.182 -6.342 1.00 0.00 H new ATOM 0 HA SER A 65 -4.575 2.409 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.526 4.201 -7.947 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.197 2.702 -8.560 1.00 0.00 H new ATOM 0 HG SER A 65 -4.223 4.567 -9.489 1.00 0.00 H new ATOM 433 N ARG A 66 -2.524 1.263 -5.717 1.00 0.00 N ATOM 434 CA ARG A 66 -1.437 0.608 -4.990 1.00 0.00 C ATOM 435 C ARG A 66 -0.034 1.024 -5.496 1.00 0.00 C ATOM 436 O ARG A 66 0.840 1.292 -4.676 1.00 0.00 O ATOM 437 CB ARG A 66 -1.606 -0.927 -4.958 1.00 0.00 C ATOM 438 CG ARG A 66 -1.720 -1.607 -6.314 1.00 0.00 C ATOM 439 CD ARG A 66 -1.790 -3.122 -6.168 1.00 0.00 C ATOM 440 NE ARG A 66 -1.716 -3.807 -7.460 1.00 0.00 N ATOM 441 CZ ARG A 66 -1.642 -5.133 -7.595 1.00 0.00 C ATOM 442 NH1 ARG A 66 -1.746 -5.922 -6.534 1.00 0.00 N ATOM 443 NH2 ARG A 66 -1.492 -5.680 -8.795 1.00 0.00 N ATOM 0 H ARG A 66 -3.215 0.625 -6.112 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.505 0.963 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.756 -1.357 -4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.498 -1.164 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.610 -1.247 -6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.863 -1.338 -6.932 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.973 -3.462 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.719 -3.394 -5.667 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.721 -3.238 -8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.883 -5.516 -5.608 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.689 -6.934 -6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.432 -5.086 -9.622 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.436 -6.694 -8.890 1.00 0.00 H new ATOM 457 N PRO A 67 0.213 1.161 -6.830 1.00 0.00 N ATOM 458 CA PRO A 67 1.524 1.607 -7.332 1.00 0.00 C ATOM 459 C PRO A 67 1.934 2.977 -6.780 1.00 0.00 C ATOM 460 O PRO A 67 3.122 3.263 -6.628 1.00 0.00 O ATOM 461 CB PRO A 67 1.337 1.678 -8.852 1.00 0.00 C ATOM 462 CG PRO A 67 -0.133 1.747 -9.056 1.00 0.00 C ATOM 463 CD PRO A 67 -0.732 0.944 -7.943 1.00 0.00 C ATOM 0 HA PRO A 67 2.318 0.927 -7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.835 2.553 -9.270 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.763 0.803 -9.343 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.485 2.778 -9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.413 1.340 -10.028 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.736 1.287 -7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.812 -0.111 -8.204 1.00 0.00 H new ATOM 471 N ALA A 68 0.947 3.810 -6.462 1.00 0.00 N ATOM 472 CA ALA A 68 1.206 5.133 -5.907 1.00 0.00 C ATOM 473 C ALA A 68 1.908 5.024 -4.558 1.00 0.00 C ATOM 474 O ALA A 68 2.909 5.702 -4.313 1.00 0.00 O ATOM 475 CB ALA A 68 -0.088 5.918 -5.769 1.00 0.00 C ATOM 0 H ALA A 68 -0.042 3.590 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 68 1.863 5.667 -6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.126 6.902 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.551 6.031 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.768 5.384 -5.106 1.00 0.00 H new ATOM 481 N LEU A 69 1.399 4.141 -3.701 1.00 0.00 N ATOM 482 CA LEU A 69 1.997 3.908 -2.392 1.00 0.00 C ATOM 483 C LEU A 69 3.438 3.439 -2.515 1.00 0.00 C ATOM 484 O LEU A 69 4.271 3.770 -1.678 1.00 0.00 O ATOM 485 CB LEU A 69 1.192 2.885 -1.586 1.00 0.00 C ATOM 486 CG LEU A 69 -0.117 3.403 -1.003 1.00 0.00 C ATOM 487 CD1 LEU A 69 -1.220 3.410 -2.047 1.00 0.00 C ATOM 488 CD2 LEU A 69 -0.518 2.579 0.206 1.00 0.00 C ATOM 0 H LEU A 69 0.572 3.575 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 69 1.983 4.861 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.973 2.032 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.815 2.518 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 69 0.037 4.433 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.141 3.785 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.931 4.054 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.381 2.396 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.455 2.961 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.648 1.538 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.260 2.645 0.966 1.00 0.00 H new ATOM 500 N LYS A 70 3.735 2.683 -3.568 1.00 0.00 N ATOM 501 CA LYS A 70 5.090 2.190 -3.799 1.00 0.00 C ATOM 502 C LYS A 70 6.079 3.345 -3.872 1.00 0.00 C ATOM 503 O LYS A 70 7.165 3.280 -3.301 1.00 0.00 O ATOM 504 CB LYS A 70 5.166 1.374 -5.089 1.00 0.00 C ATOM 505 CG LYS A 70 4.235 0.176 -5.116 1.00 0.00 C ATOM 506 CD LYS A 70 4.980 -1.105 -5.458 1.00 0.00 C ATOM 507 CE LYS A 70 5.745 -0.986 -6.768 1.00 0.00 C ATOM 508 NZ LYS A 70 4.849 -0.718 -7.923 1.00 0.00 N ATOM 0 H LYS A 70 3.057 2.398 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 70 5.352 1.546 -2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.931 2.023 -5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.190 1.029 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.752 0.068 -4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.445 0.345 -5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.674 -1.347 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.271 -1.930 -5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.478 -0.184 -6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.299 -1.907 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.409 -0.696 -8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.133 -1.470 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.377 0.199 -7.791 1.00 0.00 H new ATOM 522 N LYS A 71 5.651 4.437 -4.492 1.00 0.00 N ATOM 523 CA LYS A 71 6.460 5.644 -4.568 1.00 0.00 C ATOM 524 C LYS A 71 6.619 6.251 -3.191 1.00 0.00 C ATOM 525 O LYS A 71 7.732 6.498 -2.728 1.00 0.00 O ATOM 526 CB LYS A 71 5.797 6.657 -5.500 1.00 0.00 C ATOM 527 CG LYS A 71 6.431 8.038 -5.456 1.00 0.00 C ATOM 528 CD LYS A 71 5.763 8.990 -6.431 1.00 0.00 C ATOM 529 CE LYS A 71 6.319 10.398 -6.296 1.00 0.00 C ATOM 530 NZ LYS A 71 7.779 10.458 -6.572 1.00 0.00 N ATOM 0 H LYS A 71 4.743 4.510 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 71 7.443 5.383 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.841 6.280 -6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.743 6.743 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.358 8.441 -4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.492 7.960 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.912 8.634 -7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.688 9.002 -6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.794 11.061 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.127 10.767 -5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.295 10.597 -5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.086 9.568 -7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.978 11.251 -7.215 1.00 0.00 H new ATOM 544 N PHE A 72 5.485 6.450 -2.541 1.00 0.00 N ATOM 545 CA PHE A 72 5.439 7.021 -1.202 1.00 0.00 C ATOM 546 C PHE A 72 6.364 6.258 -0.254 1.00 0.00 C ATOM 547 O PHE A 72 7.076 6.856 0.557 1.00 0.00 O ATOM 548 CB PHE A 72 4.005 6.974 -0.673 1.00 0.00 C ATOM 549 CG PHE A 72 3.827 7.650 0.654 1.00 0.00 C ATOM 550 CD1 PHE A 72 3.506 8.994 0.721 1.00 0.00 C ATOM 551 CD2 PHE A 72 3.989 6.941 1.831 1.00 0.00 C ATOM 552 CE1 PHE A 72 3.347 9.623 1.942 1.00 0.00 C ATOM 553 CE2 PHE A 72 3.835 7.562 3.055 1.00 0.00 C ATOM 554 CZ PHE A 72 3.511 8.905 3.112 1.00 0.00 C ATOM 0 H PHE A 72 4.568 6.221 -2.925 1.00 0.00 H new ATOM 0 HA PHE A 72 5.777 8.056 -1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.343 7.443 -1.401 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.694 5.933 -0.585 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.378 9.558 -0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.238 5.891 1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.095 10.673 1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.968 6.999 3.967 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.386 9.392 4.068 1.00 0.00 H new ATOM 564 N ILE A 73 6.327 4.937 -0.347 1.00 0.00 N ATOM 565 CA ILE A 73 7.133 4.086 0.509 1.00 0.00 C ATOM 566 C ILE A 73 8.618 4.268 0.224 1.00 0.00 C ATOM 567 O ILE A 73 9.407 4.423 1.146 1.00 0.00 O ATOM 568 CB ILE A 73 6.755 2.602 0.349 1.00 0.00 C ATOM 569 CG1 ILE A 73 5.320 2.364 0.827 1.00 0.00 C ATOM 570 CG2 ILE A 73 7.729 1.721 1.115 1.00 0.00 C ATOM 571 CD1 ILE A 73 4.838 0.944 0.626 1.00 0.00 C ATOM 0 H ILE A 73 5.743 4.431 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 73 6.930 4.387 1.537 1.00 0.00 H new ATOM 0 HB ILE A 73 6.814 2.339 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.253 2.614 1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.653 3.043 0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.448 0.675 0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.737 1.873 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.701 1.982 2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.814 0.853 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.871 0.695 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.481 0.260 1.179 1.00 0.00 H new ATOM 583 N LYS A 74 8.994 4.259 -1.048 1.00 0.00 N ATOM 584 CA LYS A 74 10.395 4.416 -1.429 1.00 0.00 C ATOM 585 C LYS A 74 10.956 5.753 -0.953 1.00 0.00 C ATOM 586 O LYS A 74 12.092 5.827 -0.486 1.00 0.00 O ATOM 587 CB LYS A 74 10.560 4.312 -2.943 1.00 0.00 C ATOM 588 CG LYS A 74 10.179 2.959 -3.506 1.00 0.00 C ATOM 589 CD LYS A 74 10.506 2.868 -4.984 1.00 0.00 C ATOM 590 CE LYS A 74 10.106 1.526 -5.565 1.00 0.00 C ATOM 591 NZ LYS A 74 10.513 1.401 -6.986 1.00 0.00 N ATOM 0 H LYS A 74 8.352 4.145 -1.833 1.00 0.00 H new ATOM 0 HA LYS A 74 10.951 3.611 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.949 5.079 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.597 4.524 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.708 2.175 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.113 2.787 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.991 3.665 -5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.575 3.024 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.564 0.726 -4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.026 1.401 -5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.223 0.471 -7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.056 2.149 -7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.546 1.495 -7.061 1.00 0.00 H new ATOM 605 N GLU A 75 10.176 6.809 -1.125 1.00 0.00 N ATOM 606 CA GLU A 75 10.621 8.153 -0.784 1.00 0.00 C ATOM 607 C GLU A 75 10.823 8.312 0.721 1.00 0.00 C ATOM 608 O GLU A 75 11.708 9.043 1.165 1.00 0.00 O ATOM 609 CB GLU A 75 9.615 9.186 -1.293 1.00 0.00 C ATOM 610 CG GLU A 75 9.378 9.107 -2.794 1.00 0.00 C ATOM 611 CD GLU A 75 8.457 10.193 -3.299 1.00 0.00 C ATOM 612 OE1 GLU A 75 7.290 10.242 -2.852 1.00 0.00 O ATOM 613 OE2 GLU A 75 8.888 11.004 -4.141 1.00 0.00 O ATOM 0 H GLU A 75 9.229 6.762 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 75 11.583 8.319 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.667 9.045 -0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.971 10.185 -1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.334 9.178 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.953 8.134 -3.040 1.00 0.00 H new ATOM 620 N ASN A 76 9.963 7.674 1.501 1.00 0.00 N ATOM 621 CA ASN A 76 9.999 7.819 2.953 1.00 0.00 C ATOM 622 C ASN A 76 10.827 6.721 3.612 1.00 0.00 C ATOM 623 O ASN A 76 11.461 6.943 4.645 1.00 0.00 O ATOM 624 CB ASN A 76 8.577 7.819 3.514 1.00 0.00 C ATOM 625 CG ASN A 76 7.843 9.109 3.212 1.00 0.00 C ATOM 626 OD1 ASN A 76 8.129 10.155 3.799 1.00 0.00 O ATOM 627 ND2 ASN A 76 6.918 9.061 2.267 1.00 0.00 N ATOM 0 H ASN A 76 9.232 7.052 1.156 1.00 0.00 H new ATOM 0 HA ASN A 76 10.478 8.771 3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.022 6.980 3.093 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.614 7.668 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.415 9.908 2.002 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.708 8.177 1.803 1.00 0.00 H new ATOM 634 N TYR A 77 10.797 5.530 3.031 1.00 0.00 N ATOM 635 CA TYR A 77 11.520 4.386 3.573 1.00 0.00 C ATOM 636 C TYR A 77 12.348 3.709 2.481 1.00 0.00 C ATOM 637 O TYR A 77 11.979 2.637 1.994 1.00 0.00 O ATOM 638 CB TYR A 77 10.557 3.355 4.181 1.00 0.00 C ATOM 639 CG TYR A 77 9.717 3.876 5.327 1.00 0.00 C ATOM 640 CD1 TYR A 77 8.588 4.651 5.095 1.00 0.00 C ATOM 641 CD2 TYR A 77 10.041 3.566 6.641 1.00 0.00 C ATOM 642 CE1 TYR A 77 7.810 5.110 6.138 1.00 0.00 C ATOM 643 CE2 TYR A 77 9.267 4.019 7.691 1.00 0.00 C ATOM 644 CZ TYR A 77 8.154 4.791 7.433 1.00 0.00 C ATOM 645 OH TYR A 77 7.379 5.247 8.478 1.00 0.00 O ATOM 0 H TYR A 77 10.276 5.329 2.178 1.00 0.00 H new ATOM 0 HA TYR A 77 12.179 4.760 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.893 2.991 3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.135 2.500 4.531 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.314 4.899 4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.912 2.961 6.845 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.938 5.715 5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.532 3.770 8.708 1.00 0.00 H new ATOM 0 HH TYR A 77 7.072 6.157 8.284 1.00 0.00 H new ATOM 655 N PRO A 78 13.488 4.311 2.097 1.00 0.00 N ATOM 656 CA PRO A 78 14.382 3.755 1.068 1.00 0.00 C ATOM 657 C PRO A 78 14.847 2.338 1.402 1.00 0.00 C ATOM 658 O PRO A 78 15.232 1.574 0.516 1.00 0.00 O ATOM 659 CB PRO A 78 15.575 4.716 1.054 1.00 0.00 C ATOM 660 CG PRO A 78 15.474 5.492 2.324 1.00 0.00 C ATOM 661 CD PRO A 78 14.011 5.572 2.640 1.00 0.00 C ATOM 0 HA PRO A 78 13.878 3.673 0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 78 16.518 4.171 1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.538 5.375 0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.021 4.999 3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.904 6.487 2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.833 5.655 3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.543 6.438 2.172 1.00 0.00 H new ATOM 669 N ILE A 79 14.772 1.997 2.686 1.00 0.00 N ATOM 670 CA ILE A 79 15.130 0.672 3.173 1.00 0.00 C ATOM 671 C ILE A 79 14.393 -0.403 2.386 1.00 0.00 C ATOM 672 O ILE A 79 14.974 -1.127 1.581 1.00 0.00 O ATOM 673 CB ILE A 79 14.737 0.506 4.659 1.00 0.00 C ATOM 674 CG1 ILE A 79 15.357 1.605 5.534 1.00 0.00 C ATOM 675 CG2 ILE A 79 15.154 -0.861 5.168 1.00 0.00 C ATOM 676 CD1 ILE A 79 14.564 2.895 5.570 1.00 0.00 C ATOM 0 H ILE A 79 14.460 2.635 3.418 1.00 0.00 H new ATOM 0 HA ILE A 79 16.208 0.566 3.053 1.00 0.00 H new ATOM 0 HB ILE A 79 13.653 0.597 4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.461 1.228 6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 79 16.362 1.820 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.870 -0.961 6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 79 14.658 -1.634 4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.234 -0.971 5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.072 3.616 6.210 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.482 3.300 4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.567 2.698 5.965 1.00 0.00 H new ATOM 688 N VAL A 80 13.090 -0.434 2.592 1.00 0.00 N ATOM 689 CA VAL A 80 12.210 -1.344 1.894 1.00 0.00 C ATOM 690 C VAL A 80 12.034 -0.901 0.449 1.00 0.00 C ATOM 691 O VAL A 80 11.782 -1.717 -0.437 1.00 0.00 O ATOM 692 CB VAL A 80 10.851 -1.412 2.613 1.00 0.00 C ATOM 693 CG1 VAL A 80 9.724 -1.035 1.693 1.00 0.00 C ATOM 694 CG2 VAL A 80 10.618 -2.785 3.214 1.00 0.00 C ATOM 0 H VAL A 80 12.612 0.177 3.254 1.00 0.00 H new ATOM 0 HA VAL A 80 12.653 -2.340 1.894 1.00 0.00 H new ATOM 0 HB VAL A 80 10.875 -0.686 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.779 -1.094 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.874 -0.017 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.701 -1.720 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.650 -2.803 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.631 -3.535 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.405 -3.005 3.936 1.00 0.00 H new ATOM 704 N GLY A 81 12.115 0.408 0.239 1.00 0.00 N ATOM 705 CA GLY A 81 11.902 0.965 -1.079 1.00 0.00 C ATOM 706 C GLY A 81 12.751 0.294 -2.147 1.00 0.00 C ATOM 707 O GLY A 81 12.304 0.103 -3.279 1.00 0.00 O ATOM 0 H GLY A 81 12.326 1.094 0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.849 0.867 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.128 2.031 -1.059 1.00 0.00 H new ATOM 711 N SER A 82 13.957 -0.111 -1.774 1.00 0.00 N ATOM 712 CA SER A 82 14.834 -0.820 -2.686 1.00 0.00 C ATOM 713 C SER A 82 15.072 -2.248 -2.188 1.00 0.00 C ATOM 714 O SER A 82 16.198 -2.748 -2.203 1.00 0.00 O ATOM 715 CB SER A 82 16.160 -0.068 -2.829 1.00 0.00 C ATOM 716 OG SER A 82 16.872 -0.494 -3.980 1.00 0.00 O ATOM 0 H SER A 82 14.348 0.041 -0.844 1.00 0.00 H new ATOM 0 HA SER A 82 14.359 -0.874 -3.666 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.968 1.003 -2.893 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.770 -0.230 -1.940 1.00 0.00 H new ATOM 0 HG SER A 82 17.011 -1.463 -3.939 1.00 0.00 H new ATOM 722 N ALA A 83 14.008 -2.896 -1.716 1.00 0.00 N ATOM 723 CA ALA A 83 14.106 -4.255 -1.177 1.00 0.00 C ATOM 724 C ALA A 83 14.113 -5.310 -2.291 1.00 0.00 C ATOM 725 O ALA A 83 13.934 -6.501 -2.021 1.00 0.00 O ATOM 726 CB ALA A 83 12.967 -4.527 -0.202 1.00 0.00 C ATOM 0 H ALA A 83 13.067 -2.503 -1.695 1.00 0.00 H new ATOM 0 HA ALA A 83 15.055 -4.327 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.056 -5.541 0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.016 -3.815 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.013 -4.419 -0.718 1.00 0.00 H new ATOM 732 N SER A 84 14.349 -4.859 -3.525 1.00 0.00 N ATOM 733 CA SER A 84 14.437 -5.724 -4.709 1.00 0.00 C ATOM 734 C SER A 84 13.082 -6.322 -5.099 1.00 0.00 C ATOM 735 O SER A 84 12.538 -5.992 -6.151 1.00 0.00 O ATOM 736 CB SER A 84 15.473 -6.830 -4.491 1.00 0.00 C ATOM 737 OG SER A 84 16.753 -6.271 -4.243 1.00 0.00 O ATOM 0 H SER A 84 14.486 -3.870 -3.735 1.00 0.00 H new ATOM 0 HA SER A 84 14.758 -5.096 -5.540 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.174 -7.456 -3.650 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.515 -7.475 -5.369 1.00 0.00 H new ATOM 0 HG SER A 84 17.403 -6.991 -4.104 1.00 0.00 H new ATOM 743 N ASN A 85 12.495 -7.121 -4.221 1.00 0.00 N ATOM 744 CA ASN A 85 11.169 -7.680 -4.471 1.00 0.00 C ATOM 745 C ASN A 85 10.114 -6.861 -3.754 1.00 0.00 C ATOM 746 O ASN A 85 9.067 -7.376 -3.366 1.00 0.00 O ATOM 747 CB ASN A 85 11.083 -9.139 -4.014 1.00 0.00 C ATOM 748 CG ASN A 85 11.869 -10.089 -4.896 1.00 0.00 C ATOM 749 OD1 ASN A 85 13.091 -9.989 -5.006 1.00 0.00 O ATOM 750 ND2 ASN A 85 11.173 -11.023 -5.527 1.00 0.00 N ATOM 0 H ASN A 85 12.911 -7.398 -3.332 1.00 0.00 H new ATOM 0 HA ASN A 85 10.991 -7.646 -5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.451 -9.215 -2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.038 -9.447 -4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.649 -11.693 -6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.161 -11.072 -5.409 1.00 0.00 H new ATOM 757 N PHE A 86 10.404 -5.579 -3.591 1.00 0.00 N ATOM 758 CA PHE A 86 9.508 -4.659 -2.907 1.00 0.00 C ATOM 759 C PHE A 86 8.127 -4.640 -3.554 1.00 0.00 C ATOM 760 O PHE A 86 7.116 -4.689 -2.861 1.00 0.00 O ATOM 761 CB PHE A 86 10.105 -3.249 -2.910 1.00 0.00 C ATOM 762 CG PHE A 86 9.122 -2.179 -2.529 1.00 0.00 C ATOM 763 CD1 PHE A 86 8.446 -2.233 -1.324 1.00 0.00 C ATOM 764 CD2 PHE A 86 8.858 -1.128 -3.391 1.00 0.00 C ATOM 765 CE1 PHE A 86 7.528 -1.261 -0.983 1.00 0.00 C ATOM 766 CE2 PHE A 86 7.944 -0.150 -3.056 1.00 0.00 C ATOM 767 CZ PHE A 86 7.276 -0.217 -1.851 1.00 0.00 C ATOM 0 H PHE A 86 11.265 -5.148 -3.928 1.00 0.00 H new ATOM 0 HA PHE A 86 9.393 -5.004 -1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.948 -3.219 -2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.499 -3.032 -3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.639 -3.047 -0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.374 -1.073 -4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.007 -1.317 -0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.752 0.667 -3.736 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.558 0.545 -1.587 1.00 0.00 H new ATOM 777 N ASP A 87 8.089 -4.555 -4.875 1.00 0.00 N ATOM 778 CA ASP A 87 6.820 -4.471 -5.593 1.00 0.00 C ATOM 779 C ASP A 87 5.982 -5.725 -5.363 1.00 0.00 C ATOM 780 O ASP A 87 4.780 -5.642 -5.126 1.00 0.00 O ATOM 781 CB ASP A 87 7.041 -4.252 -7.097 1.00 0.00 C ATOM 782 CG ASP A 87 7.561 -5.483 -7.816 1.00 0.00 C ATOM 783 OD1 ASP A 87 8.679 -5.930 -7.500 1.00 0.00 O ATOM 784 OD2 ASP A 87 6.851 -6.010 -8.696 1.00 0.00 O ATOM 0 H ASP A 87 8.916 -4.542 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 87 6.279 -3.611 -5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.100 -3.944 -7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.747 -3.433 -7.237 1.00 0.00 H new ATOM 789 N LEU A 88 6.632 -6.878 -5.397 1.00 0.00 N ATOM 790 CA LEU A 88 5.955 -8.147 -5.188 1.00 0.00 C ATOM 791 C LEU A 88 5.475 -8.255 -3.746 1.00 0.00 C ATOM 792 O LEU A 88 4.316 -8.585 -3.478 1.00 0.00 O ATOM 793 CB LEU A 88 6.908 -9.301 -5.540 1.00 0.00 C ATOM 794 CG LEU A 88 6.313 -10.714 -5.488 1.00 0.00 C ATOM 795 CD1 LEU A 88 6.523 -11.343 -4.120 1.00 0.00 C ATOM 796 CD2 LEU A 88 4.832 -10.680 -5.827 1.00 0.00 C ATOM 0 H LEU A 88 7.634 -6.960 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 88 5.082 -8.206 -5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.296 -9.130 -6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.758 -9.263 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 88 6.830 -11.324 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.092 -12.344 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.590 -11.405 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.037 -10.731 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.426 -11.691 -5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.309 -10.049 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.698 -10.276 -6.830 1.00 0.00 H new ATOM 808 N TYR A 89 6.370 -7.959 -2.822 1.00 0.00 N ATOM 809 CA TYR A 89 6.062 -8.022 -1.406 1.00 0.00 C ATOM 810 C TYR A 89 4.940 -7.056 -1.052 1.00 0.00 C ATOM 811 O TYR A 89 4.028 -7.396 -0.298 1.00 0.00 O ATOM 812 CB TYR A 89 7.309 -7.711 -0.587 1.00 0.00 C ATOM 813 CG TYR A 89 8.294 -8.860 -0.490 1.00 0.00 C ATOM 814 CD1 TYR A 89 8.396 -9.797 -1.510 1.00 0.00 C ATOM 815 CD2 TYR A 89 9.132 -9.000 0.612 1.00 0.00 C ATOM 816 CE1 TYR A 89 9.300 -10.838 -1.434 1.00 0.00 C ATOM 817 CE2 TYR A 89 10.035 -10.039 0.697 1.00 0.00 C ATOM 818 CZ TYR A 89 10.086 -10.978 -0.299 1.00 0.00 C ATOM 819 OH TYR A 89 11.029 -11.982 -0.258 1.00 0.00 O ATOM 0 H TYR A 89 7.326 -7.670 -3.030 1.00 0.00 H new ATOM 0 HA TYR A 89 5.726 -9.032 -1.170 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.814 -6.851 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.006 -7.422 0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.758 -9.710 -2.377 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.074 -8.281 1.416 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.395 -11.538 -2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.699 -10.112 1.545 1.00 0.00 H new ATOM 0 HH TYR A 89 11.501 -11.952 0.600 1.00 0.00 H new ATOM 829 N PHE A 90 4.990 -5.869 -1.636 1.00 0.00 N ATOM 830 CA PHE A 90 3.968 -4.855 -1.420 1.00 0.00 C ATOM 831 C PHE A 90 2.592 -5.368 -1.843 1.00 0.00 C ATOM 832 O PHE A 90 1.604 -5.174 -1.137 1.00 0.00 O ATOM 833 CB PHE A 90 4.315 -3.593 -2.207 1.00 0.00 C ATOM 834 CG PHE A 90 3.255 -2.534 -2.139 1.00 0.00 C ATOM 835 CD1 PHE A 90 2.954 -1.904 -0.944 1.00 0.00 C ATOM 836 CD2 PHE A 90 2.559 -2.171 -3.277 1.00 0.00 C ATOM 837 CE1 PHE A 90 1.975 -0.932 -0.887 1.00 0.00 C ATOM 838 CE2 PHE A 90 1.580 -1.201 -3.225 1.00 0.00 C ATOM 839 CZ PHE A 90 1.287 -0.581 -2.029 1.00 0.00 C ATOM 0 H PHE A 90 5.736 -5.582 -2.270 1.00 0.00 H new ATOM 0 HA PHE A 90 3.935 -4.622 -0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.251 -3.184 -1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.484 -3.860 -3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 90 3.490 -2.175 -0.047 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.784 -2.652 -4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.748 -0.447 0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.043 -0.927 -4.121 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.520 0.178 -1.987 1.00 0.00 H new ATOM 849 N ASN A 91 2.538 -6.027 -2.996 1.00 0.00 N ATOM 850 CA ASN A 91 1.283 -6.572 -3.509 1.00 0.00 C ATOM 851 C ASN A 91 0.716 -7.603 -2.540 1.00 0.00 C ATOM 852 O ASN A 91 -0.471 -7.564 -2.200 1.00 0.00 O ATOM 853 CB ASN A 91 1.491 -7.213 -4.888 1.00 0.00 C ATOM 854 CG ASN A 91 1.891 -6.219 -5.973 1.00 0.00 C ATOM 855 OD1 ASN A 91 1.991 -4.943 -5.631 1.00 0.00 O flip ATOM 856 ND2 ASN A 91 2.120 -6.601 -7.119 1.00 0.00 N flip ATOM 0 H ASN A 91 3.347 -6.197 -3.593 1.00 0.00 H new ATOM 0 HA ASN A 91 0.574 -5.750 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.261 -7.981 -4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.571 -7.714 -5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.035 -7.590 -7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.395 -5.929 -7.835 1.00 0.00 H new ATOM 863 N ASN A 92 1.591 -8.465 -2.034 1.00 0.00 N ATOM 864 CA ASN A 92 1.205 -9.465 -1.041 1.00 0.00 C ATOM 865 C ASN A 92 0.758 -8.800 0.253 1.00 0.00 C ATOM 866 O ASN A 92 -0.188 -9.254 0.898 1.00 0.00 O ATOM 867 CB ASN A 92 2.360 -10.430 -0.758 1.00 0.00 C ATOM 868 CG ASN A 92 2.515 -11.486 -1.833 1.00 0.00 C ATOM 869 OD1 ASN A 92 1.605 -12.281 -2.077 1.00 0.00 O ATOM 870 ND2 ASN A 92 3.665 -11.505 -2.485 1.00 0.00 N ATOM 0 H ASN A 92 2.577 -8.492 -2.295 1.00 0.00 H new ATOM 0 HA ASN A 92 0.369 -10.032 -1.451 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.288 -9.865 -0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.194 -10.917 0.203 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.823 -12.195 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.394 -10.830 -2.254 1.00 0.00 H new ATOM 877 N ALA A 93 1.440 -7.721 0.624 1.00 0.00 N ATOM 878 CA ALA A 93 1.106 -6.971 1.831 1.00 0.00 C ATOM 879 C ALA A 93 -0.302 -6.389 1.735 1.00 0.00 C ATOM 880 O ALA A 93 -1.083 -6.478 2.684 1.00 0.00 O ATOM 881 CB ALA A 93 2.124 -5.866 2.062 1.00 0.00 C ATOM 0 H ALA A 93 2.232 -7.344 0.103 1.00 0.00 H new ATOM 0 HA ALA A 93 1.133 -7.655 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.863 -5.314 2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.116 -6.303 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.124 -5.187 1.209 1.00 0.00 H new ATOM 887 N ILE A 94 -0.637 -5.864 0.559 1.00 0.00 N ATOM 888 CA ILE A 94 -1.979 -5.349 0.299 1.00 0.00 C ATOM 889 C ILE A 94 -3.011 -6.454 0.474 1.00 0.00 C ATOM 890 O ILE A 94 -4.006 -6.289 1.185 1.00 0.00 O ATOM 891 CB ILE A 94 -2.101 -4.785 -1.138 1.00 0.00 C ATOM 892 CG1 ILE A 94 -1.156 -3.601 -1.338 1.00 0.00 C ATOM 893 CG2 ILE A 94 -3.537 -4.368 -1.429 1.00 0.00 C ATOM 894 CD1 ILE A 94 -1.466 -2.437 -0.431 1.00 0.00 C ATOM 0 H ILE A 94 0.004 -5.784 -0.231 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.161 -4.546 1.013 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.818 -5.573 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.131 -3.928 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.212 -3.271 -2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.603 -3.974 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.194 -5.233 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.843 -3.598 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.760 -1.629 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.480 -2.086 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.383 -2.754 0.609 1.00 0.00 H new ATOM 906 N LYS A 95 -2.732 -7.589 -0.154 1.00 0.00 N ATOM 907 CA LYS A 95 -3.606 -8.757 -0.084 1.00 0.00 C ATOM 908 C LYS A 95 -3.824 -9.197 1.358 1.00 0.00 C ATOM 909 O LYS A 95 -4.957 -9.417 1.782 1.00 0.00 O ATOM 910 CB LYS A 95 -3.015 -9.921 -0.882 1.00 0.00 C ATOM 911 CG LYS A 95 -2.989 -9.690 -2.380 1.00 0.00 C ATOM 912 CD LYS A 95 -2.459 -10.905 -3.138 1.00 0.00 C ATOM 913 CE LYS A 95 -3.445 -12.074 -3.127 1.00 0.00 C ATOM 914 NZ LYS A 95 -3.497 -12.773 -1.814 1.00 0.00 N ATOM 0 H LYS A 95 -1.898 -7.728 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.566 -8.472 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.998 -10.107 -0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.592 -10.822 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.995 -9.456 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.366 -8.824 -2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.246 -10.622 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.516 -11.224 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.440 -11.706 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.164 -12.787 -3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.513 -13.801 -1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.659 -12.520 -1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.356 -12.486 -1.302 1.00 0.00 H new ATOM 928 N LYS A 96 -2.734 -9.306 2.105 1.00 0.00 N ATOM 929 CA LYS A 96 -2.798 -9.724 3.497 1.00 0.00 C ATOM 930 C LYS A 96 -3.594 -8.712 4.316 1.00 0.00 C ATOM 931 O LYS A 96 -4.397 -9.083 5.166 1.00 0.00 O ATOM 932 CB LYS A 96 -1.384 -9.885 4.064 1.00 0.00 C ATOM 933 CG LYS A 96 -1.312 -10.733 5.329 1.00 0.00 C ATOM 934 CD LYS A 96 -1.646 -9.940 6.584 1.00 0.00 C ATOM 935 CE LYS A 96 -1.509 -10.800 7.828 1.00 0.00 C ATOM 936 NZ LYS A 96 -1.759 -10.032 9.074 1.00 0.00 N ATOM 0 H LYS A 96 -1.792 -9.110 1.768 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.305 -10.687 3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.748 -10.335 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -0.976 -8.897 4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.002 -11.572 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.311 -11.153 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.984 -9.078 6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.663 -9.555 6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.210 -11.633 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.507 -11.228 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.654 -10.660 9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.074 -9.252 9.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.724 -9.645 9.055 1.00 0.00 H new ATOM 950 N GLY A 97 -3.373 -7.438 4.043 1.00 0.00 N ATOM 951 CA GLY A 97 -4.066 -6.397 4.770 1.00 0.00 C ATOM 952 C GLY A 97 -5.562 -6.389 4.517 1.00 0.00 C ATOM 953 O GLY A 97 -6.350 -6.192 5.442 1.00 0.00 O ATOM 0 H GLY A 97 -2.725 -7.105 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -3.885 -6.525 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.651 -5.429 4.490 1.00 0.00 H new ATOM 957 N VAL A 98 -5.964 -6.542 3.262 1.00 0.00 N ATOM 958 CA VAL A 98 -7.381 -6.492 2.920 1.00 0.00 C ATOM 959 C VAL A 98 -8.133 -7.712 3.452 1.00 0.00 C ATOM 960 O VAL A 98 -9.271 -7.595 3.906 1.00 0.00 O ATOM 961 CB VAL A 98 -7.629 -6.325 1.400 1.00 0.00 C ATOM 962 CG1 VAL A 98 -7.139 -4.964 0.926 1.00 0.00 C ATOM 963 CG2 VAL A 98 -6.962 -7.431 0.601 1.00 0.00 C ATOM 0 H VAL A 98 -5.338 -6.700 2.472 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.774 -5.601 3.410 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.704 -6.393 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.321 -4.864 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.674 -4.179 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.071 -4.873 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.157 -7.281 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.887 -7.410 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.363 -8.396 0.911 1.00 0.00 H new ATOM 973 N GLU A 99 -7.480 -8.872 3.453 1.00 0.00 N ATOM 974 CA GLU A 99 -8.092 -10.087 3.987 1.00 0.00 C ATOM 975 C GLU A 99 -8.133 -10.048 5.517 1.00 0.00 C ATOM 976 O GLU A 99 -9.060 -10.567 6.139 1.00 0.00 O ATOM 977 CB GLU A 99 -7.351 -11.333 3.493 1.00 0.00 C ATOM 978 CG GLU A 99 -5.910 -11.427 3.938 1.00 0.00 C ATOM 979 CD GLU A 99 -5.130 -12.481 3.175 1.00 0.00 C ATOM 980 OE1 GLU A 99 -5.678 -13.055 2.208 1.00 0.00 O ATOM 981 OE2 GLU A 99 -3.954 -12.728 3.525 1.00 0.00 O ATOM 0 H GLU A 99 -6.534 -8.996 3.093 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.118 -10.138 3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.883 -12.218 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.383 -11.350 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.429 -10.458 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -5.877 -11.656 5.003 1.00 0.00 H new ATOM 988 N ALA A 100 -7.120 -9.432 6.117 1.00 0.00 N ATOM 989 CA ALA A 100 -7.029 -9.323 7.569 1.00 0.00 C ATOM 990 C ALA A 100 -7.991 -8.269 8.108 1.00 0.00 C ATOM 991 O ALA A 100 -8.272 -8.221 9.307 1.00 0.00 O ATOM 992 CB ALA A 100 -5.606 -8.994 7.984 1.00 0.00 C ATOM 0 H ALA A 100 -6.345 -8.998 5.616 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.311 -10.286 7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.553 -8.916 9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.936 -9.784 7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.306 -8.046 7.537 1.00 0.00 H new ATOM 998 N GLY A 101 -8.437 -7.382 7.231 1.00 0.00 N ATOM 999 CA GLY A 101 -9.316 -6.307 7.644 1.00 0.00 C ATOM 1000 C GLY A 101 -8.541 -5.115 8.159 1.00 0.00 C ATOM 1001 O GLY A 101 -8.892 -4.521 9.184 1.00 0.00 O ATOM 0 H GLY A 101 -8.205 -7.387 6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.937 -6.001 6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.989 -6.667 8.422 1.00 0.00 H new ATOM 1005 N ASP A 102 -7.468 -4.787 7.461 1.00 0.00 N ATOM 1006 CA ASP A 102 -6.624 -3.658 7.818 1.00 0.00 C ATOM 1007 C ASP A 102 -6.658 -2.630 6.695 1.00 0.00 C ATOM 1008 O ASP A 102 -6.811 -1.435 6.932 1.00 0.00 O ATOM 1009 CB ASP A 102 -5.193 -4.130 8.075 1.00 0.00 C ATOM 1010 CG ASP A 102 -4.471 -3.274 9.091 1.00 0.00 C ATOM 1011 OD1 ASP A 102 -5.016 -3.074 10.205 1.00 0.00 O ATOM 1012 OD2 ASP A 102 -3.340 -2.846 8.811 1.00 0.00 O ATOM 0 H ASP A 102 -7.157 -5.294 6.632 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.998 -3.198 8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.212 -5.163 8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -4.637 -4.121 7.137 1.00 0.00 H new ATOM 1017 N PHE A 103 -6.685 -3.129 5.462 1.00 0.00 N ATOM 1018 CA PHE A 103 -6.894 -2.280 4.296 1.00 0.00 C ATOM 1019 C PHE A 103 -8.177 -2.711 3.593 1.00 0.00 C ATOM 1020 O PHE A 103 -8.643 -3.835 3.792 1.00 0.00 O ATOM 1021 CB PHE A 103 -5.726 -2.381 3.305 1.00 0.00 C ATOM 1022 CG PHE A 103 -4.363 -2.423 3.935 1.00 0.00 C ATOM 1023 CD1 PHE A 103 -3.960 -1.409 4.783 1.00 0.00 C ATOM 1024 CD2 PHE A 103 -3.491 -3.469 3.688 1.00 0.00 C ATOM 1025 CE1 PHE A 103 -2.714 -1.432 5.373 1.00 0.00 C ATOM 1026 CE2 PHE A 103 -2.242 -3.498 4.276 1.00 0.00 C ATOM 1027 CZ PHE A 103 -1.834 -2.527 5.078 1.00 0.00 C ATOM 0 H PHE A 103 -6.564 -4.119 5.246 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.964 -1.247 4.636 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.858 -3.278 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.770 -1.529 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.630 -0.587 4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -3.790 -4.270 3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.407 -0.643 6.043 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.584 -4.331 4.077 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.844 -2.559 5.508 1.00 0.00 H new ATOM 1037 N GLU A 104 -8.730 -1.849 2.752 1.00 0.00 N ATOM 1038 CA GLU A 104 -9.912 -2.199 1.979 1.00 0.00 C ATOM 1039 C GLU A 104 -9.815 -1.601 0.578 1.00 0.00 C ATOM 1040 O GLU A 104 -9.423 -0.448 0.410 1.00 0.00 O ATOM 1041 CB GLU A 104 -11.199 -1.741 2.691 1.00 0.00 C ATOM 1042 CG GLU A 104 -11.322 -0.234 2.889 1.00 0.00 C ATOM 1043 CD GLU A 104 -12.535 0.160 3.721 1.00 0.00 C ATOM 1044 OE1 GLU A 104 -13.142 -0.733 4.351 1.00 0.00 O ATOM 1045 OE2 GLU A 104 -12.903 1.356 3.730 1.00 0.00 O ATOM 0 H GLU A 104 -8.380 -0.905 2.588 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.959 -3.284 1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.058 -2.089 2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.250 -2.226 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.419 0.138 3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.383 0.251 1.915 1.00 0.00 H new ATOM 1052 N GLN A 105 -10.056 -2.426 -0.431 1.00 0.00 N ATOM 1053 CA GLN A 105 -9.930 -1.991 -1.816 1.00 0.00 C ATOM 1054 C GLN A 105 -11.300 -1.814 -2.454 1.00 0.00 C ATOM 1055 O GLN A 105 -12.022 -2.784 -2.665 1.00 0.00 O ATOM 1056 CB GLN A 105 -9.107 -2.997 -2.621 1.00 0.00 C ATOM 1057 CG GLN A 105 -7.624 -2.958 -2.301 1.00 0.00 C ATOM 1058 CD GLN A 105 -6.844 -4.044 -3.006 1.00 0.00 C ATOM 1059 OE1 GLN A 105 -7.081 -5.234 -2.793 1.00 0.00 O ATOM 1060 NE2 GLN A 105 -5.903 -3.643 -3.846 1.00 0.00 N ATOM 0 H GLN A 105 -10.340 -3.399 -0.318 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.417 -1.029 -1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.486 -4.001 -2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.247 -2.801 -3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.221 -1.986 -2.584 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.486 -3.059 -1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.741 -2.647 -3.992 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.340 -4.330 -4.347 1.00 0.00 H new ATOM 1069 N PRO A 106 -11.687 -0.561 -2.734 1.00 0.00 N ATOM 1070 CA PRO A 106 -12.994 -0.240 -3.310 1.00 0.00 C ATOM 1071 C PRO A 106 -13.115 -0.663 -4.772 1.00 0.00 C ATOM 1072 O PRO A 106 -14.198 -1.017 -5.236 1.00 0.00 O ATOM 1073 CB PRO A 106 -13.093 1.286 -3.190 1.00 0.00 C ATOM 1074 CG PRO A 106 -11.952 1.705 -2.320 1.00 0.00 C ATOM 1075 CD PRO A 106 -10.899 0.649 -2.469 1.00 0.00 C ATOM 0 HA PRO A 106 -13.792 -0.771 -2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -13.031 1.759 -4.170 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -14.047 1.582 -2.753 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -11.570 2.680 -2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -12.268 1.795 -1.281 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -10.214 0.873 -3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -10.296 0.549 -1.567 1.00 0.00 H new ATOM 1083 N LYS A 107 -12.025 -0.521 -5.515 1.00 0.00 N ATOM 1084 CA LYS A 107 -12.049 -0.782 -6.947 1.00 0.00 C ATOM 1085 C LYS A 107 -11.796 -2.255 -7.250 1.00 0.00 C ATOM 1086 O LYS A 107 -12.521 -2.869 -8.033 1.00 0.00 O ATOM 1087 CB LYS A 107 -11.013 0.090 -7.654 1.00 0.00 C ATOM 1088 CG LYS A 107 -11.213 1.578 -7.409 1.00 0.00 C ATOM 1089 CD LYS A 107 -10.155 2.414 -8.109 1.00 0.00 C ATOM 1090 CE LYS A 107 -10.306 2.365 -9.620 1.00 0.00 C ATOM 1091 NZ LYS A 107 -9.236 3.137 -10.304 1.00 0.00 N ATOM 0 H LYS A 107 -11.118 -0.228 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 107 -13.043 -0.533 -7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.017 -0.196 -7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.055 -0.104 -8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -12.201 1.874 -7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.183 1.777 -6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.225 3.448 -7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.164 2.054 -7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.278 1.328 -9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.280 2.765 -9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -9.371 3.081 -11.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.279 4.132 -10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.308 2.740 -10.055 1.00 0.00 H new ATOM 1105 N GLY A 108 -10.757 -2.814 -6.649 1.00 0.00 N ATOM 1106 CA GLY A 108 -10.418 -4.198 -6.895 1.00 0.00 C ATOM 1107 C GLY A 108 -9.106 -4.578 -6.247 1.00 0.00 C ATOM 1108 O GLY A 108 -8.388 -3.706 -5.754 1.00 0.00 O ATOM 0 H GLY A 108 -10.142 -2.332 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.212 -4.840 -6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -10.357 -4.372 -7.969 1.00 0.00 H new ATOM 1112 N PRO A 109 -8.762 -5.874 -6.235 1.00 0.00 N ATOM 1113 CA PRO A 109 -7.520 -6.366 -5.629 1.00 0.00 C ATOM 1114 C PRO A 109 -6.276 -5.792 -6.297 1.00 0.00 C ATOM 1115 O PRO A 109 -5.262 -5.541 -5.645 1.00 0.00 O ATOM 1116 CB PRO A 109 -7.581 -7.877 -5.832 1.00 0.00 C ATOM 1117 CG PRO A 109 -8.570 -8.088 -6.927 1.00 0.00 C ATOM 1118 CD PRO A 109 -9.561 -6.969 -6.807 1.00 0.00 C ATOM 0 HA PRO A 109 -7.445 -6.070 -4.583 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.604 -8.277 -6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.892 -8.384 -4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.082 -8.075 -7.902 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.061 -9.056 -6.829 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.982 -6.698 -7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.396 -7.238 -6.161 1.00 0.00 H new ATOM 1126 N ALA A 110 -6.363 -5.572 -7.592 1.00 0.00 N ATOM 1127 CA ALA A 110 -5.256 -5.008 -8.335 1.00 0.00 C ATOM 1128 C ALA A 110 -5.518 -3.546 -8.662 1.00 0.00 C ATOM 1129 O ALA A 110 -5.309 -3.109 -9.792 1.00 0.00 O ATOM 1130 CB ALA A 110 -5.010 -5.810 -9.604 1.00 0.00 C ATOM 0 H ALA A 110 -7.190 -5.776 -8.153 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.360 -5.059 -7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.175 -5.375 -10.153 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.774 -6.842 -9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.904 -5.789 -10.227 1.00 0.00 H new ATOM 1136 N GLY A 111 -6.018 -2.789 -7.688 1.00 0.00 N ATOM 1137 CA GLY A 111 -6.318 -1.402 -7.948 1.00 0.00 C ATOM 1138 C GLY A 111 -6.062 -0.507 -6.758 1.00 0.00 C ATOM 1139 O GLY A 111 -5.089 -0.693 -6.023 1.00 0.00 O ATOM 0 H GLY A 111 -6.216 -3.110 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.717 -1.058 -8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.363 -1.312 -8.245 1.00 0.00 H new ATOM 1143 N ALA A 112 -6.903 0.506 -6.605 1.00 0.00 N ATOM 1144 CA ALA A 112 -6.750 1.477 -5.536 1.00 0.00 C ATOM 1145 C ALA A 112 -7.167 0.898 -4.192 1.00 0.00 C ATOM 1146 O ALA A 112 -8.209 0.247 -4.079 1.00 0.00 O ATOM 1147 CB ALA A 112 -7.550 2.733 -5.840 1.00 0.00 C ATOM 0 H ALA A 112 -7.704 0.676 -7.214 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.693 1.737 -5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.424 3.450 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.195 3.174 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.605 2.478 -5.938 1.00 0.00 H new ATOM 1153 N VAL A 113 -6.379 1.195 -3.173 1.00 0.00 N ATOM 1154 CA VAL A 113 -6.684 0.792 -1.811 1.00 0.00 C ATOM 1155 C VAL A 113 -7.098 2.008 -0.999 1.00 0.00 C ATOM 1156 O VAL A 113 -6.731 3.140 -1.323 1.00 0.00 O ATOM 1157 CB VAL A 113 -5.468 0.124 -1.122 1.00 0.00 C ATOM 1158 CG1 VAL A 113 -5.873 -0.553 0.183 1.00 0.00 C ATOM 1159 CG2 VAL A 113 -4.798 -0.873 -2.048 1.00 0.00 C ATOM 0 H VAL A 113 -5.511 1.722 -3.266 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.496 0.066 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.752 0.912 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.997 -1.012 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.292 0.189 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.620 -1.320 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.948 -1.327 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.512 -1.649 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.452 -0.360 -2.946 1.00 0.00 H new ATOM 1169 N LYS A 114 -7.803 1.762 0.084 1.00 0.00 N ATOM 1170 CA LYS A 114 -8.180 2.796 1.022 1.00 0.00 C ATOM 1171 C LYS A 114 -8.039 2.249 2.429 1.00 0.00 C ATOM 1172 O LYS A 114 -8.285 1.064 2.657 1.00 0.00 O ATOM 1173 CB LYS A 114 -9.627 3.229 0.791 1.00 0.00 C ATOM 1174 CG LYS A 114 -10.138 4.240 1.809 1.00 0.00 C ATOM 1175 CD LYS A 114 -9.357 5.544 1.755 1.00 0.00 C ATOM 1176 CE LYS A 114 -9.634 6.416 2.972 1.00 0.00 C ATOM 1177 NZ LYS A 114 -11.063 6.817 3.079 1.00 0.00 N ATOM 0 H LYS A 114 -8.133 0.831 0.340 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.532 3.661 0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.713 3.658 -0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -10.268 2.348 0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -11.193 4.441 1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -10.066 3.815 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.290 5.327 1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.621 6.089 0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.344 5.877 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.013 7.310 2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -11.183 7.463 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.355 7.297 2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -11.651 5.971 3.223 1.00 0.00 H new ATOM 1191 N LEU A 115 -7.559 3.074 3.348 1.00 0.00 N ATOM 1192 CA LEU A 115 -7.401 2.651 4.718 1.00 0.00 C ATOM 1193 C LEU A 115 -8.732 2.153 5.271 1.00 0.00 C ATOM 1194 O LEU A 115 -9.716 2.893 5.290 1.00 0.00 O ATOM 1195 CB LEU A 115 -6.914 3.832 5.541 1.00 0.00 C ATOM 1196 CG LEU A 115 -5.746 3.542 6.461 1.00 0.00 C ATOM 1197 CD1 LEU A 115 -6.153 2.581 7.567 1.00 0.00 C ATOM 1198 CD2 LEU A 115 -4.584 2.986 5.666 1.00 0.00 C ATOM 0 H LEU A 115 -7.275 4.036 3.164 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.677 1.838 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.629 4.635 4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.745 4.203 6.141 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.433 4.475 6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.298 2.388 8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.960 3.021 8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.494 1.644 7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.749 2.781 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.889 2.063 5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -4.276 3.713 4.915 1.00 0.00 H new ATOM 1210 N ALA A 116 -8.768 0.898 5.682 1.00 0.00 N ATOM 1211 CA ALA A 116 -9.991 0.307 6.194 1.00 0.00 C ATOM 1212 C ALA A 116 -10.266 0.767 7.609 1.00 0.00 C ATOM 1213 O ALA A 116 -9.387 0.708 8.471 1.00 0.00 O ATOM 1214 CB ALA A 116 -9.921 -1.207 6.148 1.00 0.00 C ATOM 0 H ALA A 116 -7.965 0.269 5.671 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.809 0.640 5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.849 -1.626 6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.779 -1.534 5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.085 -1.551 6.756 1.00 0.00 H new