USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 847 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 88 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= -0.529! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 170:sc= 0 (180deg=-0.0922) USER MOD Single : A 27 THR OG1 : rot -133:sc= 0.917 USER MOD Single : A 29 CYS SG : rot 89:sc= 0.00958 USER MOD Single : A 33 HIS : no HD1:sc= -7.6! K(o=-7.6!,f=-4.9) USER MOD Single : A 38 THR OG1 : rot 5:sc= 1.04 USER MOD Single : A 40 SER OG : rot -7:sc= 0.857 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.6) USER MOD Single : A 68 SER OG : rot 94:sc= -1.6! USER MOD Single : A 69 TYR OH : rot -110:sc= -0.372 USER MOD Single : A 79 ASN : amide:sc= -6.24! C(o=-6.2!,f=-3.9!) USER MOD Single : A 86 THR OG1 : rot -55:sc= -2.83! USER MOD Single : A 91 LYS NZ :NH3+ -128:sc= -0.928 (180deg=-2.22!) USER MOD Single : A 95 THR OG1 : rot 104:sc= -0.917! USER MOD Single : A 97 TYR OH : rot 83:sc= 0.42! USER MOD Single : A 98 SER OG : rot 180:sc= -0.573 USER MOD Single : A 99 ASN : amide:sc= -1.96 K(o=-2,f=-0.23) USER MOD Single : A 104 THR OG1 : rot -155:sc= -2.32! USER MOD Single : A 105 LYS NZ :NH3+ 172:sc= 0.929 (180deg=0.891) USER MOD Single : A 110 SER OG : rot 165:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 3.958 14.044 4.591 1.00 0.00 N ATOM 109 CA ARG A 8 3.862 13.249 3.349 1.00 0.00 C ATOM 110 C ARG A 8 3.469 11.832 3.716 1.00 0.00 C ATOM 111 O ARG A 8 4.054 11.217 4.585 1.00 0.00 O ATOM 112 CB ARG A 8 5.262 13.294 2.736 1.00 0.00 C ATOM 113 CG ARG A 8 5.718 14.750 2.622 1.00 0.00 C ATOM 114 CD ARG A 8 4.967 15.434 1.474 1.00 0.00 C ATOM 115 NE ARG A 8 5.004 16.888 1.798 1.00 0.00 N ATOM 116 CZ ARG A 8 4.467 17.755 0.983 1.00 0.00 C ATOM 117 NH1 ARG A 8 5.086 18.090 -0.117 1.00 0.00 N ATOM 118 NH2 ARG A 8 3.308 18.284 1.265 1.00 0.00 N ATOM 0 HA ARG A 8 3.119 13.628 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.960 12.730 3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.256 12.825 1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.529 15.275 3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.793 14.793 2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.444 15.232 0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.941 15.072 1.403 1.00 0.00 H new ATOM 0 HE ARG A 8 5.450 17.207 2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.990 17.674 -0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.665 18.768 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.822 18.020 2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.888 18.961 0.628 1.00 0.00 H new ATOM 132 N LEU A 9 2.476 11.311 3.079 1.00 0.00 N ATOM 133 CA LEU A 9 2.042 9.943 3.413 1.00 0.00 C ATOM 134 C LEU A 9 3.011 8.947 2.790 1.00 0.00 C ATOM 135 O LEU A 9 3.840 9.307 1.978 1.00 0.00 O ATOM 136 CB LEU A 9 0.642 9.807 2.814 1.00 0.00 C ATOM 137 CG LEU A 9 -0.381 10.463 3.744 1.00 0.00 C ATOM 138 CD1 LEU A 9 -0.286 9.832 5.134 1.00 0.00 C ATOM 139 CD2 LEU A 9 -0.088 11.962 3.842 1.00 0.00 C ATOM 0 H LEU A 9 1.945 11.773 2.341 1.00 0.00 H new ATOM 0 HA LEU A 9 2.026 9.749 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.609 10.277 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.397 8.754 2.672 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.385 10.313 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.015 10.299 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.492 8.764 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.717 9.982 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.815 12.432 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.915 12.111 4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.155 12.411 2.851 1.00 0.00 H new ATOM 151 N ARG A 10 2.934 7.703 3.157 1.00 0.00 N ATOM 152 CA ARG A 10 3.884 6.727 2.563 1.00 0.00 C ATOM 153 C ARG A 10 3.126 5.595 1.859 1.00 0.00 C ATOM 154 O ARG A 10 2.247 4.978 2.423 1.00 0.00 O ATOM 155 CB ARG A 10 4.716 6.160 3.727 1.00 0.00 C ATOM 156 CG ARG A 10 4.788 7.155 4.894 1.00 0.00 C ATOM 157 CD ARG A 10 5.668 8.344 4.504 1.00 0.00 C ATOM 158 NE ARG A 10 7.010 8.027 5.068 1.00 0.00 N ATOM 159 CZ ARG A 10 7.282 8.317 6.312 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.966 9.489 6.793 1.00 0.00 N ATOM 161 NH2 ARG A 10 7.872 7.435 7.073 1.00 0.00 N ATOM 0 H ARG A 10 2.268 7.323 3.830 1.00 0.00 H new ATOM 0 HA ARG A 10 4.518 7.208 1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.275 5.224 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.723 5.930 3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.787 7.500 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.194 6.664 5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.713 8.465 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.277 9.276 4.913 1.00 0.00 H new ATOM 0 HE ARG A 10 7.717 7.583 4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.507 10.178 6.197 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.178 9.716 7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.120 6.520 6.696 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.085 7.661 8.045 1.00 0.00 H new ATOM 175 N VAL A 11 3.462 5.309 0.634 1.00 0.00 N ATOM 176 CA VAL A 11 2.755 4.214 -0.086 1.00 0.00 C ATOM 177 C VAL A 11 3.685 3.010 -0.270 1.00 0.00 C ATOM 178 O VAL A 11 4.298 2.836 -1.308 1.00 0.00 O ATOM 179 CB VAL A 11 2.375 4.819 -1.437 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.554 6.089 -1.209 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.644 5.173 -2.215 1.00 0.00 C ATOM 0 H VAL A 11 4.192 5.783 0.102 1.00 0.00 H new ATOM 0 HA VAL A 11 1.883 3.852 0.459 1.00 0.00 H new ATOM 0 HB VAL A 11 1.788 4.097 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.281 6.523 -2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.650 5.843 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.145 6.807 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.372 5.604 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.230 5.895 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.236 4.272 -2.375 1.00 0.00 H new ATOM 191 N LEU A 12 3.807 2.171 0.727 1.00 0.00 N ATOM 192 CA LEU A 12 4.702 0.987 0.581 1.00 0.00 C ATOM 193 C LEU A 12 4.066 0.006 -0.391 1.00 0.00 C ATOM 194 O LEU A 12 3.325 -0.875 0.000 1.00 0.00 O ATOM 195 CB LEU A 12 4.806 0.373 1.973 1.00 0.00 C ATOM 196 CG LEU A 12 5.387 1.405 2.935 1.00 0.00 C ATOM 197 CD1 LEU A 12 4.812 1.174 4.331 1.00 0.00 C ATOM 198 CD2 LEU A 12 6.911 1.264 2.974 1.00 0.00 C ATOM 0 H LEU A 12 3.331 2.254 1.625 1.00 0.00 H new ATOM 0 HA LEU A 12 5.687 1.250 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.823 0.052 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.439 -0.514 1.946 1.00 0.00 H new ATOM 0 HG LEU A 12 5.127 2.408 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.225 1.910 5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.727 1.275 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.073 0.172 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.327 2.001 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.175 0.262 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.317 1.428 1.976 1.00 0.00 H new ATOM 210 N VAL A 13 4.321 0.161 -1.657 1.00 0.00 N ATOM 211 CA VAL A 13 3.692 -0.758 -2.639 1.00 0.00 C ATOM 212 C VAL A 13 4.707 -1.735 -3.207 1.00 0.00 C ATOM 213 O VAL A 13 5.776 -1.362 -3.645 1.00 0.00 O ATOM 214 CB VAL A 13 3.113 0.116 -3.766 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.729 -0.412 -4.146 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.990 1.578 -3.316 1.00 0.00 C ATOM 0 H VAL A 13 4.931 0.877 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 13 2.914 -1.349 -2.156 1.00 0.00 H new ATOM 0 HB VAL A 13 3.785 0.072 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.312 0.202 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.814 -1.443 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.073 -0.372 -3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.579 2.176 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.329 1.638 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.975 1.960 -3.047 1.00 0.00 H new ATOM 226 N VAL A 14 4.364 -2.989 -3.212 1.00 0.00 N ATOM 227 CA VAL A 14 5.287 -4.009 -3.759 1.00 0.00 C ATOM 228 C VAL A 14 4.495 -5.187 -4.351 1.00 0.00 C ATOM 229 O VAL A 14 3.383 -5.474 -3.933 1.00 0.00 O ATOM 230 CB VAL A 14 6.129 -4.467 -2.561 1.00 0.00 C ATOM 231 CG1 VAL A 14 7.185 -3.409 -2.223 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.233 -4.680 -1.346 1.00 0.00 C ATOM 0 H VAL A 14 3.478 -3.351 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 14 5.907 -3.614 -4.564 1.00 0.00 H new ATOM 0 HB VAL A 14 6.622 -5.403 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.777 -3.745 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.838 -3.260 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.692 -2.469 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.838 -5.005 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.731 -3.745 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.488 -5.442 -1.573 1.00 0.00 H new ATOM 242 N GLU A 15 5.103 -5.861 -5.309 1.00 0.00 N ATOM 243 CA GLU A 15 4.510 -7.073 -6.001 1.00 0.00 C ATOM 244 C GLU A 15 4.250 -6.838 -7.493 1.00 0.00 C ATOM 245 O GLU A 15 3.151 -7.026 -7.970 1.00 0.00 O ATOM 246 CB GLU A 15 3.204 -7.448 -5.306 1.00 0.00 C ATOM 247 CG GLU A 15 2.753 -8.806 -5.840 1.00 0.00 C ATOM 248 CD GLU A 15 3.838 -9.842 -5.567 1.00 0.00 C ATOM 249 OE1 GLU A 15 4.774 -9.902 -6.345 1.00 0.00 O ATOM 250 OE2 GLU A 15 3.715 -10.559 -4.588 1.00 0.00 O ATOM 0 H GLU A 15 6.029 -5.611 -5.657 1.00 0.00 H new ATOM 0 HA GLU A 15 5.236 -7.883 -5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.347 -7.492 -4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.442 -6.692 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.820 -9.106 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.557 -8.742 -6.910 1.00 0.00 H new ATOM 257 N ASP A 16 5.266 -6.488 -8.238 1.00 0.00 N ATOM 258 CA ASP A 16 5.103 -6.297 -9.716 1.00 0.00 C ATOM 259 C ASP A 16 6.405 -5.767 -10.328 1.00 0.00 C ATOM 260 O ASP A 16 6.399 -5.022 -11.288 1.00 0.00 O ATOM 261 CB ASP A 16 3.968 -5.293 -9.914 1.00 0.00 C ATOM 262 CG ASP A 16 3.703 -5.122 -11.411 1.00 0.00 C ATOM 263 OD1 ASP A 16 4.393 -5.756 -12.192 1.00 0.00 O ATOM 264 OD2 ASP A 16 2.814 -4.359 -11.751 1.00 0.00 O ATOM 0 H ASP A 16 6.209 -6.324 -7.886 1.00 0.00 H new ATOM 0 HA ASP A 16 4.871 -7.241 -10.209 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.066 -5.641 -9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.232 -4.334 -9.467 1.00 0.00 H new ATOM 269 N GLU A 17 7.522 -6.164 -9.785 1.00 0.00 N ATOM 270 CA GLU A 17 8.835 -5.715 -10.331 1.00 0.00 C ATOM 271 C GLU A 17 8.815 -4.234 -10.738 1.00 0.00 C ATOM 272 O GLU A 17 8.027 -3.454 -10.254 1.00 0.00 O ATOM 273 CB GLU A 17 9.062 -6.603 -11.550 1.00 0.00 C ATOM 274 CG GLU A 17 9.148 -8.065 -11.113 1.00 0.00 C ATOM 275 CD GLU A 17 10.458 -8.295 -10.357 1.00 0.00 C ATOM 276 OE1 GLU A 17 10.606 -7.732 -9.285 1.00 0.00 O ATOM 277 OE2 GLU A 17 11.290 -9.031 -10.862 1.00 0.00 O ATOM 0 H GLU A 17 7.583 -6.786 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 17 9.628 -5.801 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.248 -6.474 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.981 -6.311 -12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.299 -8.316 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.098 -8.719 -11.983 1.00 0.00 H new ATOM 284 N SER A 18 9.712 -3.854 -11.612 1.00 0.00 N ATOM 285 CA SER A 18 9.817 -2.429 -12.061 1.00 0.00 C ATOM 286 C SER A 18 8.453 -1.790 -12.374 1.00 0.00 C ATOM 287 O SER A 18 8.327 -0.583 -12.378 1.00 0.00 O ATOM 288 CB SER A 18 10.677 -2.492 -13.324 1.00 0.00 C ATOM 289 OG SER A 18 11.048 -1.174 -13.708 1.00 0.00 O ATOM 0 H SER A 18 10.390 -4.483 -12.043 1.00 0.00 H new ATOM 0 HA SER A 18 10.242 -1.806 -11.274 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.567 -3.094 -13.142 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.125 -2.976 -14.130 1.00 0.00 H new ATOM 0 HG SER A 18 11.601 -1.212 -14.516 1.00 0.00 H new ATOM 295 N MET A 19 7.434 -2.558 -12.640 1.00 0.00 N ATOM 296 CA MET A 19 6.112 -1.928 -12.949 1.00 0.00 C ATOM 297 C MET A 19 5.643 -1.087 -11.756 1.00 0.00 C ATOM 298 O MET A 19 5.537 0.120 -11.832 1.00 0.00 O ATOM 299 CB MET A 19 5.155 -3.093 -13.193 1.00 0.00 C ATOM 300 CG MET A 19 4.377 -2.854 -14.488 1.00 0.00 C ATOM 301 SD MET A 19 4.405 -4.358 -15.498 1.00 0.00 S ATOM 302 CE MET A 19 2.975 -3.965 -16.534 1.00 0.00 C ATOM 0 H MET A 19 7.453 -3.578 -12.658 1.00 0.00 H new ATOM 0 HA MET A 19 6.163 -1.264 -13.812 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.712 -4.027 -13.259 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.465 -3.192 -12.355 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.348 -2.576 -14.260 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.817 -2.024 -15.041 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.807 -4.774 -17.245 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.092 -3.845 -15.906 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.163 -3.039 -17.077 1.00 0.00 H new ATOM 312 N ILE A 20 5.374 -1.726 -10.654 1.00 0.00 N ATOM 313 CA ILE A 20 4.922 -0.995 -9.431 1.00 0.00 C ATOM 314 C ILE A 20 5.770 0.266 -9.204 1.00 0.00 C ATOM 315 O ILE A 20 5.350 1.197 -8.546 1.00 0.00 O ATOM 316 CB ILE A 20 5.177 -1.997 -8.312 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.670 -1.457 -6.969 1.00 0.00 C ATOM 318 CG2 ILE A 20 6.679 -2.227 -8.226 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.720 -2.478 -6.316 1.00 0.00 C ATOM 0 H ILE A 20 5.448 -2.737 -10.544 1.00 0.00 H new ATOM 0 HA ILE A 20 3.885 -0.664 -9.496 1.00 0.00 H new ATOM 0 HB ILE A 20 4.648 -2.926 -8.526 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.512 -1.256 -6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.151 -0.510 -7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.893 -2.942 -7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.042 -2.621 -9.175 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.180 -1.283 -8.009 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.365 -2.087 -5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.870 -2.657 -6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.252 -3.414 -6.148 1.00 0.00 H new ATOM 331 N ALA A 21 6.971 0.292 -9.721 1.00 0.00 N ATOM 332 CA ALA A 21 7.854 1.479 -9.510 1.00 0.00 C ATOM 333 C ALA A 21 7.438 2.649 -10.407 1.00 0.00 C ATOM 334 O ALA A 21 7.071 3.704 -9.932 1.00 0.00 O ATOM 335 CB ALA A 21 9.251 0.992 -9.877 1.00 0.00 C ATOM 0 H ALA A 21 7.379 -0.457 -10.280 1.00 0.00 H new ATOM 0 HA ALA A 21 7.797 1.849 -8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.965 1.806 -9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.529 0.161 -9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.260 0.661 -10.915 1.00 0.00 H new ATOM 341 N MET A 22 7.488 2.483 -11.698 1.00 0.00 N ATOM 342 CA MET A 22 7.084 3.607 -12.591 1.00 0.00 C ATOM 343 C MET A 22 5.608 3.938 -12.365 1.00 0.00 C ATOM 344 O MET A 22 5.100 4.931 -12.847 1.00 0.00 O ATOM 345 CB MET A 22 7.312 3.099 -14.015 1.00 0.00 C ATOM 346 CG MET A 22 7.358 4.289 -14.975 1.00 0.00 C ATOM 347 SD MET A 22 6.345 3.930 -16.432 1.00 0.00 S ATOM 348 CE MET A 22 5.156 5.279 -16.222 1.00 0.00 C ATOM 0 H MET A 22 7.787 1.630 -12.171 1.00 0.00 H new ATOM 0 HA MET A 22 7.654 4.516 -12.398 1.00 0.00 H new ATOM 0 HB2 MET A 22 8.245 2.538 -14.068 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.512 2.416 -14.302 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.991 5.186 -14.476 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.387 4.488 -15.275 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.535 5.359 -17.114 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.525 5.076 -15.357 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.692 6.216 -16.068 1.00 0.00 H new ATOM 358 N LEU A 23 4.915 3.106 -11.636 1.00 0.00 N ATOM 359 CA LEU A 23 3.473 3.355 -11.374 1.00 0.00 C ATOM 360 C LEU A 23 3.280 3.999 -9.992 1.00 0.00 C ATOM 361 O LEU A 23 2.226 4.514 -9.683 1.00 0.00 O ATOM 362 CB LEU A 23 2.842 1.955 -11.431 1.00 0.00 C ATOM 363 CG LEU A 23 1.460 1.941 -10.765 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.621 1.934 -9.243 1.00 0.00 C ATOM 365 CD2 LEU A 23 0.654 3.171 -11.196 1.00 0.00 C ATOM 0 H LEU A 23 5.291 2.259 -11.209 1.00 0.00 H new ATOM 0 HA LEU A 23 3.021 4.042 -12.089 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.751 1.636 -12.469 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.495 1.238 -10.934 1.00 0.00 H new ATOM 0 HG LEU A 23 0.926 1.043 -11.075 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.638 1.924 -8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.177 1.047 -8.940 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.163 2.826 -8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.325 3.151 -10.717 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.184 4.076 -10.899 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.529 3.163 -12.279 1.00 0.00 H new ATOM 377 N ILE A 24 4.280 3.967 -9.150 1.00 0.00 N ATOM 378 CA ILE A 24 4.119 4.570 -7.790 1.00 0.00 C ATOM 379 C ILE A 24 4.730 5.970 -7.741 1.00 0.00 C ATOM 380 O ILE A 24 4.193 6.869 -7.126 1.00 0.00 O ATOM 381 CB ILE A 24 4.851 3.622 -6.832 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.730 4.153 -5.401 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.329 3.514 -7.212 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.660 3.361 -4.480 1.00 0.00 C ATOM 0 H ILE A 24 5.193 3.554 -9.341 1.00 0.00 H new ATOM 0 HA ILE A 24 3.069 4.682 -7.521 1.00 0.00 H new ATOM 0 HB ILE A 24 4.398 2.633 -6.900 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.988 5.212 -5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.700 4.066 -5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.834 2.838 -6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.416 3.128 -8.228 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.792 4.499 -7.157 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.573 3.740 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.381 2.307 -4.500 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.689 3.470 -4.821 1.00 0.00 H new ATOM 396 N GLU A 25 5.846 6.165 -8.379 1.00 0.00 N ATOM 397 CA GLU A 25 6.484 7.512 -8.361 1.00 0.00 C ATOM 398 C GLU A 25 5.687 8.483 -9.235 1.00 0.00 C ATOM 399 O GLU A 25 5.684 9.677 -9.011 1.00 0.00 O ATOM 400 CB GLU A 25 7.884 7.296 -8.932 1.00 0.00 C ATOM 401 CG GLU A 25 8.878 7.096 -7.786 1.00 0.00 C ATOM 402 CD GLU A 25 10.069 8.035 -7.981 1.00 0.00 C ATOM 403 OE1 GLU A 25 10.681 7.970 -9.034 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.348 8.803 -7.075 1.00 0.00 O ATOM 0 H GLU A 25 6.346 5.453 -8.912 1.00 0.00 H new ATOM 0 HA GLU A 25 6.518 7.942 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.890 6.426 -9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.178 8.154 -9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.394 7.297 -6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.217 6.060 -7.760 1.00 0.00 H new ATOM 411 N ASP A 26 5.006 7.978 -10.225 1.00 0.00 N ATOM 412 CA ASP A 26 4.205 8.870 -11.109 1.00 0.00 C ATOM 413 C ASP A 26 2.872 9.207 -10.434 1.00 0.00 C ATOM 414 O ASP A 26 2.442 10.344 -10.419 1.00 0.00 O ATOM 415 CB ASP A 26 3.997 8.063 -12.399 1.00 0.00 C ATOM 416 CG ASP A 26 2.793 7.127 -12.253 1.00 0.00 C ATOM 417 OD1 ASP A 26 2.815 6.302 -11.356 1.00 0.00 O ATOM 418 OD2 ASP A 26 1.870 7.253 -13.042 1.00 0.00 O ATOM 0 H ASP A 26 4.969 6.986 -10.460 1.00 0.00 H new ATOM 0 HA ASP A 26 4.697 9.821 -11.313 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.840 8.740 -13.238 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.892 7.483 -12.621 1.00 0.00 H new ATOM 423 N THR A 27 2.220 8.231 -9.868 1.00 0.00 N ATOM 424 CA THR A 27 0.927 8.508 -9.188 1.00 0.00 C ATOM 425 C THR A 27 1.163 9.459 -8.015 1.00 0.00 C ATOM 426 O THR A 27 0.423 10.399 -7.802 1.00 0.00 O ATOM 427 CB THR A 27 0.432 7.151 -8.688 1.00 0.00 C ATOM 428 OG1 THR A 27 1.540 6.372 -8.257 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.296 6.427 -9.818 1.00 0.00 C ATOM 0 H THR A 27 2.525 7.258 -9.847 1.00 0.00 H new ATOM 0 HA THR A 27 0.200 8.977 -9.850 1.00 0.00 H new ATOM 0 HB THR A 27 -0.253 7.298 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.472 5.470 -8.633 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.649 5.459 -9.462 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.146 7.026 -10.145 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.387 6.279 -10.655 1.00 0.00 H new ATOM 437 N LEU A 28 2.200 9.224 -7.259 1.00 0.00 N ATOM 438 CA LEU A 28 2.500 10.115 -6.104 1.00 0.00 C ATOM 439 C LEU A 28 2.823 11.517 -6.626 1.00 0.00 C ATOM 440 O LEU A 28 2.518 12.511 -5.999 1.00 0.00 O ATOM 441 CB LEU A 28 3.712 9.462 -5.416 1.00 0.00 C ATOM 442 CG LEU A 28 4.682 10.523 -4.874 1.00 0.00 C ATOM 443 CD1 LEU A 28 5.616 9.880 -3.845 1.00 0.00 C ATOM 444 CD2 LEU A 28 5.516 11.089 -6.028 1.00 0.00 C ATOM 0 H LEU A 28 2.853 8.452 -7.392 1.00 0.00 H new ATOM 0 HA LEU A 28 1.670 10.226 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.371 8.826 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.232 8.818 -6.125 1.00 0.00 H new ATOM 0 HG LEU A 28 4.115 11.326 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.305 10.631 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.027 9.472 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.182 9.078 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.204 11.842 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.083 10.284 -6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.855 11.544 -6.766 1.00 0.00 H new ATOM 456 N CYS A 29 3.435 11.600 -7.777 1.00 0.00 N ATOM 457 CA CYS A 29 3.771 12.934 -8.343 1.00 0.00 C ATOM 458 C CYS A 29 2.516 13.810 -8.371 1.00 0.00 C ATOM 459 O CYS A 29 2.589 15.022 -8.370 1.00 0.00 O ATOM 460 CB CYS A 29 4.268 12.655 -9.760 1.00 0.00 C ATOM 461 SG CYS A 29 6.063 12.875 -9.823 1.00 0.00 S ATOM 0 H CYS A 29 3.715 10.802 -8.347 1.00 0.00 H new ATOM 0 HA CYS A 29 4.521 13.462 -7.754 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.005 11.640 -10.056 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.783 13.329 -10.466 1.00 0.00 H new ATOM 0 HG CYS A 29 6.648 11.750 -9.538 1.00 0.00 H new ATOM 467 N GLU A 30 1.363 13.196 -8.398 1.00 0.00 N ATOM 468 CA GLU A 30 0.100 13.975 -8.427 1.00 0.00 C ATOM 469 C GLU A 30 -0.459 14.133 -7.010 1.00 0.00 C ATOM 470 O GLU A 30 -0.976 15.171 -6.648 1.00 0.00 O ATOM 471 CB GLU A 30 -0.854 13.149 -9.294 1.00 0.00 C ATOM 472 CG GLU A 30 -0.580 13.442 -10.770 1.00 0.00 C ATOM 473 CD GLU A 30 -0.547 12.130 -11.556 1.00 0.00 C ATOM 474 OE1 GLU A 30 -1.370 11.273 -11.278 1.00 0.00 O ATOM 475 OE2 GLU A 30 0.302 12.005 -12.423 1.00 0.00 O ATOM 0 H GLU A 30 1.246 12.183 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 30 0.243 14.980 -8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.720 12.086 -9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.888 13.392 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.353 14.098 -11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.370 13.966 -10.877 1.00 0.00 H new ATOM 482 N LEU A 31 -0.364 13.109 -6.204 1.00 0.00 N ATOM 483 CA LEU A 31 -0.897 13.205 -4.814 1.00 0.00 C ATOM 484 C LEU A 31 0.068 13.988 -3.919 1.00 0.00 C ATOM 485 O LEU A 31 -0.297 14.980 -3.321 1.00 0.00 O ATOM 486 CB LEU A 31 -1.018 11.760 -4.336 1.00 0.00 C ATOM 487 CG LEU A 31 -2.385 11.204 -4.736 1.00 0.00 C ATOM 488 CD1 LEU A 31 -2.212 10.181 -5.861 1.00 0.00 C ATOM 489 CD2 LEU A 31 -3.031 10.527 -3.526 1.00 0.00 C ATOM 0 H LEU A 31 0.058 12.213 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.852 13.730 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.225 11.153 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.896 11.712 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.022 12.018 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.187 9.785 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.750 10.663 -6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.576 9.366 -5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.006 10.130 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.394 9.713 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.155 11.255 -2.725 1.00 0.00 H new ATOM 501 N GLY A 32 1.298 13.558 -3.823 1.00 0.00 N ATOM 502 CA GLY A 32 2.270 14.296 -2.966 1.00 0.00 C ATOM 503 C GLY A 32 2.919 13.343 -1.959 1.00 0.00 C ATOM 504 O GLY A 32 3.724 13.747 -1.142 1.00 0.00 O ATOM 0 H GLY A 32 1.669 12.735 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.037 14.757 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.761 15.102 -2.438 1.00 0.00 H new ATOM 508 N HIS A 33 2.579 12.083 -2.005 1.00 0.00 N ATOM 509 CA HIS A 33 3.182 11.112 -1.048 1.00 0.00 C ATOM 510 C HIS A 33 4.710 11.242 -1.052 1.00 0.00 C ATOM 511 O HIS A 33 5.267 12.109 -1.695 1.00 0.00 O ATOM 512 CB HIS A 33 2.762 9.735 -1.564 1.00 0.00 C ATOM 513 CG HIS A 33 1.356 9.436 -1.118 1.00 0.00 C ATOM 514 ND1 HIS A 33 0.247 9.896 -1.810 1.00 0.00 N ATOM 515 CD2 HIS A 33 0.864 8.720 -0.055 1.00 0.00 C ATOM 516 CE1 HIS A 33 -0.848 9.455 -1.163 1.00 0.00 C ATOM 517 NE2 HIS A 33 -0.527 8.733 -0.086 1.00 0.00 N ATOM 0 H HIS A 33 1.910 11.685 -2.664 1.00 0.00 H new ATOM 0 HA HIS A 33 2.851 11.283 -0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.822 9.709 -2.652 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.443 8.971 -1.189 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.465 8.222 0.692 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.861 9.660 -1.476 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.165 8.287 0.573 1.00 0.00 H new ATOM 525 N GLU A 34 5.389 10.388 -0.337 1.00 0.00 N ATOM 526 CA GLU A 34 6.878 10.467 -0.297 1.00 0.00 C ATOM 527 C GLU A 34 7.500 9.141 -0.752 1.00 0.00 C ATOM 528 O GLU A 34 7.045 8.519 -1.691 1.00 0.00 O ATOM 529 CB GLU A 34 7.210 10.743 1.171 1.00 0.00 C ATOM 530 CG GLU A 34 8.563 11.454 1.271 1.00 0.00 C ATOM 531 CD GLU A 34 8.352 12.967 1.209 1.00 0.00 C ATOM 532 OE1 GLU A 34 7.982 13.452 0.153 1.00 0.00 O ATOM 533 OE2 GLU A 34 8.565 13.617 2.220 1.00 0.00 O ATOM 0 H GLU A 34 4.979 9.639 0.221 1.00 0.00 H new ATOM 0 HA GLU A 34 7.270 11.237 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.431 11.359 1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.238 9.807 1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.059 11.184 2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.215 11.134 0.458 1.00 0.00 H new ATOM 540 N VAL A 35 8.544 8.711 -0.094 1.00 0.00 N ATOM 541 CA VAL A 35 9.211 7.435 -0.481 1.00 0.00 C ATOM 542 C VAL A 35 8.490 6.242 0.146 1.00 0.00 C ATOM 543 O VAL A 35 7.876 6.355 1.189 1.00 0.00 O ATOM 544 CB VAL A 35 10.627 7.550 0.079 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.509 6.471 -0.547 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.194 8.931 -0.256 1.00 0.00 C ATOM 0 H VAL A 35 8.965 9.193 0.700 1.00 0.00 H new ATOM 0 HA VAL A 35 9.202 7.278 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 35 10.605 7.418 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.520 6.551 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.103 5.487 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.534 6.603 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.205 9.016 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.218 9.062 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.563 9.701 0.188 1.00 0.00 H new ATOM 556 N ALA A 36 8.559 5.097 -0.477 1.00 0.00 N ATOM 557 CA ALA A 36 7.879 3.909 0.096 1.00 0.00 C ATOM 558 C ALA A 36 8.475 2.610 -0.463 1.00 0.00 C ATOM 559 O ALA A 36 9.661 2.373 -0.350 1.00 0.00 O ATOM 560 CB ALA A 36 6.422 4.055 -0.305 1.00 0.00 C ATOM 0 H ALA A 36 9.055 4.937 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 36 8.000 3.855 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.851 3.211 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.023 4.983 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.344 4.076 -1.392 1.00 0.00 H new ATOM 566 N ALA A 37 7.672 1.752 -1.050 1.00 0.00 N ATOM 567 CA ALA A 37 8.235 0.475 -1.580 1.00 0.00 C ATOM 568 C ALA A 37 7.799 0.236 -3.028 1.00 0.00 C ATOM 569 O ALA A 37 6.778 0.723 -3.471 1.00 0.00 O ATOM 570 CB ALA A 37 7.669 -0.614 -0.667 1.00 0.00 C ATOM 0 H ALA A 37 6.669 1.880 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 37 9.325 0.488 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.037 -1.588 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.986 -0.429 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.580 -0.602 -0.718 1.00 0.00 H new ATOM 576 N THR A 38 8.573 -0.520 -3.761 1.00 0.00 N ATOM 577 CA THR A 38 8.222 -0.814 -5.181 1.00 0.00 C ATOM 578 C THR A 38 8.675 -2.232 -5.555 1.00 0.00 C ATOM 579 O THR A 38 9.840 -2.562 -5.451 1.00 0.00 O ATOM 580 CB THR A 38 8.978 0.228 -6.008 1.00 0.00 C ATOM 581 OG1 THR A 38 10.364 -0.085 -6.012 1.00 0.00 O ATOM 582 CG2 THR A 38 8.767 1.616 -5.402 1.00 0.00 C ATOM 0 H THR A 38 9.439 -0.949 -3.434 1.00 0.00 H new ATOM 0 HA THR A 38 7.147 -0.766 -5.357 1.00 0.00 H new ATOM 0 HB THR A 38 8.602 0.221 -7.031 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.507 -0.941 -5.557 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.306 2.357 -5.993 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.704 1.856 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.140 1.627 -4.378 1.00 0.00 H new ATOM 590 N ALA A 39 7.752 -3.065 -5.977 1.00 0.00 N ATOM 591 CA ALA A 39 8.079 -4.480 -6.364 1.00 0.00 C ATOM 592 C ALA A 39 8.117 -5.336 -5.114 1.00 0.00 C ATOM 593 O ALA A 39 8.179 -4.829 -4.032 1.00 0.00 O ATOM 594 CB ALA A 39 9.447 -4.452 -7.038 1.00 0.00 C ATOM 0 H ALA A 39 6.766 -2.821 -6.072 1.00 0.00 H new ATOM 0 HA ALA A 39 7.334 -4.898 -7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.726 -5.462 -7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.406 -3.811 -7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.188 -4.062 -6.340 1.00 0.00 H new ATOM 600 N SER A 40 8.044 -6.626 -5.235 1.00 0.00 N ATOM 601 CA SER A 40 8.045 -7.452 -3.994 1.00 0.00 C ATOM 602 C SER A 40 9.468 -7.667 -3.482 1.00 0.00 C ATOM 603 O SER A 40 10.320 -8.196 -4.167 1.00 0.00 O ATOM 604 CB SER A 40 7.383 -8.768 -4.369 1.00 0.00 C ATOM 605 OG SER A 40 8.336 -9.629 -4.977 1.00 0.00 O ATOM 0 H SER A 40 7.985 -7.139 -6.115 1.00 0.00 H new ATOM 0 HA SER A 40 7.506 -6.960 -3.185 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.965 -9.242 -3.481 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.554 -8.587 -5.053 1.00 0.00 H new ATOM 0 HG SER A 40 9.172 -9.140 -5.123 1.00 0.00 H new ATOM 611 N ARG A 41 9.724 -7.245 -2.272 1.00 0.00 N ATOM 612 CA ARG A 41 11.078 -7.401 -1.689 1.00 0.00 C ATOM 613 C ARG A 41 10.980 -7.701 -0.190 1.00 0.00 C ATOM 614 O ARG A 41 10.472 -6.909 0.579 1.00 0.00 O ATOM 615 CB ARG A 41 11.755 -6.051 -1.924 1.00 0.00 C ATOM 616 CG ARG A 41 13.270 -6.215 -1.803 1.00 0.00 C ATOM 617 CD ARG A 41 13.785 -7.030 -2.991 1.00 0.00 C ATOM 618 NE ARG A 41 15.266 -6.896 -2.937 1.00 0.00 N ATOM 619 CZ ARG A 41 15.894 -6.266 -3.892 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.437 -5.125 -4.328 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.978 -6.777 -4.409 1.00 0.00 N ATOM 0 H ARG A 41 9.042 -6.795 -1.661 1.00 0.00 H new ATOM 0 HA ARG A 41 11.633 -8.225 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.497 -5.670 -2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.398 -5.321 -1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.753 -5.238 -1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.520 -6.716 -0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.480 -8.074 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.388 -6.649 -3.932 1.00 0.00 H new ATOM 0 HE ARG A 41 15.788 -7.295 -2.157 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.590 -4.726 -3.923 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.927 -4.631 -5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.335 -7.669 -4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.468 -6.284 -5.155 1.00 0.00 H new ATOM 635 N MET A 42 11.460 -8.839 0.233 1.00 0.00 N ATOM 636 CA MET A 42 11.389 -9.184 1.682 1.00 0.00 C ATOM 637 C MET A 42 12.142 -8.144 2.516 1.00 0.00 C ATOM 638 O MET A 42 11.772 -7.845 3.634 1.00 0.00 O ATOM 639 CB MET A 42 12.056 -10.553 1.797 1.00 0.00 C ATOM 640 CG MET A 42 11.249 -11.579 1.000 1.00 0.00 C ATOM 641 SD MET A 42 11.393 -13.201 1.788 1.00 0.00 S ATOM 642 CE MET A 42 11.678 -14.158 0.279 1.00 0.00 C ATOM 0 H MET A 42 11.897 -9.544 -0.361 1.00 0.00 H new ATOM 0 HA MET A 42 10.364 -9.199 2.051 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.078 -10.505 1.420 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.116 -10.854 2.843 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.203 -11.277 0.952 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.614 -11.627 -0.026 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.798 -15.211 0.533 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.827 -14.041 -0.392 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.581 -13.799 -0.214 1.00 0.00 H new ATOM 652 N GLN A 43 13.195 -7.587 1.981 1.00 0.00 N ATOM 653 CA GLN A 43 13.963 -6.564 2.747 1.00 0.00 C ATOM 654 C GLN A 43 13.096 -5.322 2.961 1.00 0.00 C ATOM 655 O GLN A 43 12.994 -4.804 4.056 1.00 0.00 O ATOM 656 CB GLN A 43 15.171 -6.231 1.868 1.00 0.00 C ATOM 657 CG GLN A 43 16.101 -5.273 2.616 1.00 0.00 C ATOM 658 CD GLN A 43 17.517 -5.388 2.047 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.775 -6.211 1.191 1.00 0.00 O ATOM 660 NE2 GLN A 43 18.450 -4.590 2.488 1.00 0.00 N ATOM 0 H GLN A 43 13.556 -7.795 1.050 1.00 0.00 H new ATOM 0 HA GLN A 43 14.267 -6.920 3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.706 -7.144 1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.840 -5.777 0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.740 -4.249 2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.105 -5.510 3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 43 18.233 -3.899 3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 43 19.397 -4.657 2.114 1.00 0.00 H new ATOM 669 N GLU A 44 12.469 -4.841 1.923 1.00 0.00 N ATOM 670 CA GLU A 44 11.607 -3.637 2.060 1.00 0.00 C ATOM 671 C GLU A 44 10.331 -3.981 2.831 1.00 0.00 C ATOM 672 O GLU A 44 9.905 -3.250 3.704 1.00 0.00 O ATOM 673 CB GLU A 44 11.273 -3.226 0.627 1.00 0.00 C ATOM 674 CG GLU A 44 12.535 -2.713 -0.066 1.00 0.00 C ATOM 675 CD GLU A 44 12.214 -1.424 -0.825 1.00 0.00 C ATOM 676 OE1 GLU A 44 11.152 -1.361 -1.422 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.034 -0.521 -0.795 1.00 0.00 O ATOM 0 H GLU A 44 12.518 -5.233 0.983 1.00 0.00 H new ATOM 0 HA GLU A 44 12.102 -2.837 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.865 -4.076 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.507 -2.451 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.317 -2.529 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.917 -3.467 -0.754 1.00 0.00 H new ATOM 684 N ALA A 45 9.721 -5.092 2.521 1.00 0.00 N ATOM 685 CA ALA A 45 8.477 -5.483 3.243 1.00 0.00 C ATOM 686 C ALA A 45 8.722 -5.417 4.750 1.00 0.00 C ATOM 687 O ALA A 45 7.933 -4.876 5.499 1.00 0.00 O ATOM 688 CB ALA A 45 8.198 -6.921 2.805 1.00 0.00 C ATOM 0 H ALA A 45 10.029 -5.745 1.800 1.00 0.00 H new ATOM 0 HA ALA A 45 7.636 -4.826 3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.294 -7.282 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.061 -6.952 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.040 -7.556 3.083 1.00 0.00 H new ATOM 694 N LEU A 46 9.822 -5.956 5.193 1.00 0.00 N ATOM 695 CA LEU A 46 10.141 -5.921 6.644 1.00 0.00 C ATOM 696 C LEU A 46 10.083 -4.478 7.147 1.00 0.00 C ATOM 697 O LEU A 46 9.533 -4.193 8.191 1.00 0.00 O ATOM 698 CB LEU A 46 11.565 -6.471 6.729 1.00 0.00 C ATOM 699 CG LEU A 46 11.897 -6.837 8.176 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.675 -8.337 8.381 1.00 0.00 C ATOM 701 CD2 LEU A 46 13.360 -6.494 8.465 1.00 0.00 C ATOM 0 H LEU A 46 10.517 -6.421 4.609 1.00 0.00 H new ATOM 0 HA LEU A 46 9.443 -6.497 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.663 -7.349 6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.273 -5.729 6.361 1.00 0.00 H new ATOM 0 HG LEU A 46 11.252 -6.276 8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.911 -8.602 9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.634 -8.583 8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.322 -8.896 7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.598 -6.754 9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.006 -7.056 7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.520 -5.426 8.314 1.00 0.00 H new ATOM 713 N ASP A 47 10.640 -3.564 6.404 1.00 0.00 N ATOM 714 CA ASP A 47 10.612 -2.138 6.831 1.00 0.00 C ATOM 715 C ASP A 47 9.165 -1.681 7.041 1.00 0.00 C ATOM 716 O ASP A 47 8.895 -0.785 7.814 1.00 0.00 O ATOM 717 CB ASP A 47 11.258 -1.365 5.680 1.00 0.00 C ATOM 718 CG ASP A 47 12.365 -0.462 6.228 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.266 -0.067 7.378 1.00 0.00 O ATOM 720 OD2 ASP A 47 13.292 -0.179 5.487 1.00 0.00 O ATOM 0 H ASP A 47 11.114 -3.743 5.519 1.00 0.00 H new ATOM 0 HA ASP A 47 11.137 -1.977 7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.670 -2.059 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.508 -0.766 5.164 1.00 0.00 H new ATOM 725 N ILE A 48 8.232 -2.291 6.359 1.00 0.00 N ATOM 726 CA ILE A 48 6.808 -1.893 6.522 1.00 0.00 C ATOM 727 C ILE A 48 6.116 -2.856 7.497 1.00 0.00 C ATOM 728 O ILE A 48 5.026 -2.604 7.966 1.00 0.00 O ATOM 729 CB ILE A 48 6.169 -1.943 5.106 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.309 -3.206 4.936 1.00 0.00 C ATOM 731 CG2 ILE A 48 7.255 -1.927 4.022 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.917 -3.370 3.467 1.00 0.00 C ATOM 0 H ILE A 48 8.397 -3.048 5.696 1.00 0.00 H new ATOM 0 HA ILE A 48 6.705 -0.891 6.939 1.00 0.00 H new ATOM 0 HB ILE A 48 5.536 -1.062 5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.862 -4.082 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.415 -3.135 5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.787 -1.963 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.844 -1.014 4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.906 -2.793 4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.308 -4.266 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.347 -2.499 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.817 -3.462 2.858 1.00 0.00 H new ATOM 744 N ALA A 49 6.747 -3.959 7.800 1.00 0.00 N ATOM 745 CA ALA A 49 6.136 -4.937 8.736 1.00 0.00 C ATOM 746 C ALA A 49 6.549 -4.620 10.176 1.00 0.00 C ATOM 747 O ALA A 49 5.728 -4.562 11.070 1.00 0.00 O ATOM 748 CB ALA A 49 6.685 -6.298 8.308 1.00 0.00 C ATOM 0 H ALA A 49 7.663 -4.222 7.436 1.00 0.00 H new ATOM 0 HA ALA A 49 5.047 -4.911 8.704 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.277 -7.075 8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.397 -6.498 7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.772 -6.293 8.387 1.00 0.00 H new ATOM 754 N ARG A 50 7.818 -4.413 10.407 1.00 0.00 N ATOM 755 CA ARG A 50 8.280 -4.098 11.786 1.00 0.00 C ATOM 756 C ARG A 50 7.969 -2.632 12.117 1.00 0.00 C ATOM 757 O ARG A 50 7.715 -2.281 13.252 1.00 0.00 O ATOM 758 CB ARG A 50 9.799 -4.337 11.791 1.00 0.00 C ATOM 759 CG ARG A 50 10.169 -5.546 10.916 1.00 0.00 C ATOM 760 CD ARG A 50 9.270 -6.740 11.247 1.00 0.00 C ATOM 761 NE ARG A 50 9.923 -7.392 12.416 1.00 0.00 N ATOM 762 CZ ARG A 50 9.238 -8.189 13.189 1.00 0.00 C ATOM 763 NH1 ARG A 50 8.340 -7.699 13.999 1.00 0.00 N ATOM 764 NH2 ARG A 50 9.454 -9.476 13.157 1.00 0.00 N ATOM 0 H ARG A 50 8.552 -4.449 9.700 1.00 0.00 H new ATOM 0 HA ARG A 50 7.780 -4.717 12.531 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.312 -3.448 11.425 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.141 -4.504 12.812 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.065 -5.286 9.863 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.213 -5.813 11.077 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.257 -6.418 11.488 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.194 -7.425 10.403 1.00 0.00 H new ATOM 0 HE ARG A 50 10.908 -7.215 12.613 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.174 -6.693 14.028 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.804 -8.322 14.603 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.159 -9.859 12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.918 -10.098 13.762 1.00 0.00 H new ATOM 778 N LYS A 51 7.992 -1.777 11.128 1.00 0.00 N ATOM 779 CA LYS A 51 7.704 -0.330 11.366 1.00 0.00 C ATOM 780 C LYS A 51 6.310 -0.146 11.979 1.00 0.00 C ATOM 781 O LYS A 51 6.149 0.503 12.993 1.00 0.00 O ATOM 782 CB LYS A 51 7.767 0.302 9.971 1.00 0.00 C ATOM 783 CG LYS A 51 7.293 1.756 10.034 1.00 0.00 C ATOM 784 CD LYS A 51 8.227 2.640 9.202 1.00 0.00 C ATOM 785 CE LYS A 51 9.176 3.408 10.127 1.00 0.00 C ATOM 786 NZ LYS A 51 10.523 3.249 9.511 1.00 0.00 N ATOM 0 H LYS A 51 8.199 -2.020 10.159 1.00 0.00 H new ATOM 0 HA LYS A 51 8.407 0.124 12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.787 0.259 9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.143 -0.263 9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.273 1.833 9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.278 2.099 11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.800 2.026 8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.643 3.339 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.895 4.459 10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.154 3.004 11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.230 3.748 10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.766 2.239 9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.515 3.649 8.551 1.00 0.00 H new ATOM 800 N GLY A 52 5.302 -0.713 11.373 1.00 0.00 N ATOM 801 CA GLY A 52 3.920 -0.571 11.921 1.00 0.00 C ATOM 802 C GLY A 52 3.589 0.911 12.132 1.00 0.00 C ATOM 803 O GLY A 52 2.676 1.256 12.856 1.00 0.00 O ATOM 0 H GLY A 52 5.375 -1.269 10.521 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.200 -1.019 11.236 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.838 -1.109 12.866 1.00 0.00 H new ATOM 807 N GLN A 53 4.322 1.789 11.506 1.00 0.00 N ATOM 808 CA GLN A 53 4.052 3.249 11.669 1.00 0.00 C ATOM 809 C GLN A 53 3.863 3.908 10.298 1.00 0.00 C ATOM 810 O GLN A 53 3.421 5.034 10.193 1.00 0.00 O ATOM 811 CB GLN A 53 5.301 3.802 12.358 1.00 0.00 C ATOM 812 CG GLN A 53 4.927 4.360 13.732 1.00 0.00 C ATOM 813 CD GLN A 53 5.824 5.557 14.057 1.00 0.00 C ATOM 814 OE1 GLN A 53 5.340 6.630 14.357 1.00 0.00 O ATOM 815 NE2 GLN A 53 7.121 5.416 14.008 1.00 0.00 N ATOM 0 H GLN A 53 5.099 1.560 10.886 1.00 0.00 H new ATOM 0 HA GLN A 53 3.146 3.442 12.243 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.048 3.015 12.465 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.749 4.585 11.746 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.880 4.663 13.741 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.042 3.588 14.493 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.527 4.515 13.756 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.728 6.207 14.222 1.00 0.00 H new ATOM 824 N PHE A 54 4.198 3.211 9.247 1.00 0.00 N ATOM 825 CA PHE A 54 4.046 3.790 7.881 1.00 0.00 C ATOM 826 C PHE A 54 2.585 4.138 7.611 1.00 0.00 C ATOM 827 O PHE A 54 1.791 4.272 8.519 1.00 0.00 O ATOM 828 CB PHE A 54 4.531 2.702 6.919 1.00 0.00 C ATOM 829 CG PHE A 54 3.706 1.446 7.093 1.00 0.00 C ATOM 830 CD1 PHE A 54 4.087 0.486 8.038 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.565 1.238 6.309 1.00 0.00 C ATOM 832 CE1 PHE A 54 3.331 -0.677 8.205 1.00 0.00 C ATOM 833 CE2 PHE A 54 1.808 0.072 6.474 1.00 0.00 C ATOM 834 CZ PHE A 54 2.190 -0.886 7.422 1.00 0.00 C ATOM 0 H PHE A 54 4.572 2.262 9.275 1.00 0.00 H new ATOM 0 HA PHE A 54 4.616 4.712 7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.456 3.056 5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.583 2.484 7.105 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.969 0.645 8.641 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.269 1.976 5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.627 -1.414 8.937 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.928 -0.089 5.869 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.605 -1.785 7.548 1.00 0.00 H new ATOM 844 N ASP A 55 2.226 4.299 6.368 1.00 0.00 N ATOM 845 CA ASP A 55 0.819 4.654 6.049 1.00 0.00 C ATOM 846 C ASP A 55 0.101 3.477 5.378 1.00 0.00 C ATOM 847 O ASP A 55 -0.982 3.105 5.772 1.00 0.00 O ATOM 848 CB ASP A 55 0.921 5.847 5.098 1.00 0.00 C ATOM 849 CG ASP A 55 -0.477 6.387 4.792 1.00 0.00 C ATOM 850 OD1 ASP A 55 -1.220 6.618 5.732 1.00 0.00 O ATOM 851 OD2 ASP A 55 -0.779 6.564 3.624 1.00 0.00 O ATOM 0 H ASP A 55 2.845 4.200 5.563 1.00 0.00 H new ATOM 0 HA ASP A 55 0.242 4.893 6.942 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.533 6.630 5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.415 5.546 4.174 1.00 0.00 H new ATOM 856 N ILE A 56 0.679 2.875 4.373 1.00 0.00 N ATOM 857 CA ILE A 56 -0.031 1.729 3.722 1.00 0.00 C ATOM 858 C ILE A 56 0.942 0.635 3.274 1.00 0.00 C ATOM 859 O ILE A 56 2.144 0.812 3.296 1.00 0.00 O ATOM 860 CB ILE A 56 -0.765 2.339 2.531 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.962 3.144 3.055 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.243 1.221 1.601 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.988 3.368 1.941 1.00 0.00 C ATOM 0 H ILE A 56 1.589 3.117 3.980 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.714 1.239 4.416 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.100 2.997 1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.428 2.614 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.621 4.104 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.768 1.655 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.384 0.651 1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.918 0.560 2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.830 3.940 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.523 3.918 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.343 2.405 1.574 1.00 0.00 H new ATOM 875 N ALA A 57 0.422 -0.514 2.896 1.00 0.00 N ATOM 876 CA ALA A 57 1.311 -1.640 2.486 1.00 0.00 C ATOM 877 C ALA A 57 0.695 -2.470 1.354 1.00 0.00 C ATOM 878 O ALA A 57 -0.224 -3.230 1.571 1.00 0.00 O ATOM 879 CB ALA A 57 1.390 -2.492 3.747 1.00 0.00 C ATOM 0 H ALA A 57 -0.577 -0.714 2.856 1.00 0.00 H new ATOM 0 HA ALA A 57 2.274 -1.288 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.025 -3.358 3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.811 -1.901 4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.390 -2.827 4.023 1.00 0.00 H new ATOM 885 N ILE A 58 1.214 -2.380 0.159 1.00 0.00 N ATOM 886 CA ILE A 58 0.655 -3.214 -0.934 1.00 0.00 C ATOM 887 C ILE A 58 1.672 -4.286 -1.305 1.00 0.00 C ATOM 888 O ILE A 58 2.806 -4.013 -1.624 1.00 0.00 O ATOM 889 CB ILE A 58 0.373 -2.269 -2.095 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.867 -1.439 -1.769 1.00 0.00 C ATOM 891 CG2 ILE A 58 0.126 -3.077 -3.369 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.432 -0.115 -1.140 1.00 0.00 C ATOM 0 H ILE A 58 1.991 -1.772 -0.102 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.263 -3.726 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 58 1.229 -1.612 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.444 -1.253 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.516 -1.985 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.075 -2.398 -4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.008 -3.676 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.731 -3.735 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.313 0.483 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.127 -0.313 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.200 0.430 -1.841 1.00 0.00 H new ATOM 904 N ILE A 59 1.247 -5.501 -1.230 1.00 0.00 N ATOM 905 CA ILE A 59 2.117 -6.676 -1.527 1.00 0.00 C ATOM 906 C ILE A 59 1.261 -7.733 -2.224 1.00 0.00 C ATOM 907 O ILE A 59 1.016 -8.795 -1.687 1.00 0.00 O ATOM 908 CB ILE A 59 2.540 -7.180 -0.144 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.252 -6.063 0.626 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.474 -8.375 -0.297 1.00 0.00 C ATOM 911 CD1 ILE A 59 2.392 -5.639 1.820 1.00 0.00 C ATOM 0 H ILE A 59 0.294 -5.748 -0.965 1.00 0.00 H new ATOM 0 HA ILE A 59 2.971 -6.446 -2.164 1.00 0.00 H new ATOM 0 HB ILE A 59 1.652 -7.484 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.227 -6.408 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.429 -5.210 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.773 -8.731 0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.959 -9.174 -0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.359 -8.076 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.898 -4.844 2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.428 -5.277 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.238 -6.493 2.479 1.00 0.00 H new ATOM 923 N ASP A 60 0.739 -7.416 -3.375 1.00 0.00 N ATOM 924 CA ASP A 60 -0.186 -8.370 -4.071 1.00 0.00 C ATOM 925 C ASP A 60 0.244 -9.830 -3.881 1.00 0.00 C ATOM 926 O ASP A 60 1.395 -10.128 -3.631 1.00 0.00 O ATOM 927 CB ASP A 60 -0.125 -7.981 -5.545 1.00 0.00 C ATOM 928 CG ASP A 60 -1.484 -7.438 -5.995 1.00 0.00 C ATOM 929 OD1 ASP A 60 -2.420 -8.219 -6.062 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.565 -6.252 -6.267 1.00 0.00 O ATOM 0 H ASP A 60 0.909 -6.540 -3.869 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.195 -8.304 -3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.647 -7.228 -5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.149 -8.847 -6.148 1.00 0.00 H new ATOM 935 N VAL A 61 -0.685 -10.742 -4.005 1.00 0.00 N ATOM 936 CA VAL A 61 -0.345 -12.188 -3.849 1.00 0.00 C ATOM 937 C VAL A 61 -0.588 -12.917 -5.171 1.00 0.00 C ATOM 938 O VAL A 61 -0.240 -14.067 -5.332 1.00 0.00 O ATOM 939 CB VAL A 61 -1.277 -12.726 -2.762 1.00 0.00 C ATOM 940 CG1 VAL A 61 -2.684 -12.929 -3.335 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.734 -14.065 -2.255 1.00 0.00 C ATOM 0 H VAL A 61 -1.666 -10.548 -4.208 1.00 0.00 H new ATOM 0 HA VAL A 61 0.700 -12.335 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.327 -12.012 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.342 -13.312 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.069 -11.977 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.642 -13.643 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.393 -14.455 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.686 -14.774 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.265 -13.920 -1.843 1.00 0.00 H new ATOM 951 N ASN A 62 -1.184 -12.250 -6.118 1.00 0.00 N ATOM 952 CA ASN A 62 -1.444 -12.890 -7.433 1.00 0.00 C ATOM 953 C ASN A 62 -0.724 -12.110 -8.531 1.00 0.00 C ATOM 954 O ASN A 62 -0.869 -12.385 -9.706 1.00 0.00 O ATOM 955 CB ASN A 62 -2.949 -12.795 -7.628 1.00 0.00 C ATOM 956 CG ASN A 62 -3.550 -14.201 -7.730 1.00 0.00 C ATOM 957 OD1 ASN A 62 -2.930 -15.103 -8.259 1.00 0.00 O ATOM 958 ND2 ASN A 62 -4.741 -14.426 -7.244 1.00 0.00 N ATOM 0 H ASN A 62 -1.503 -11.285 -6.036 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.092 -13.921 -7.472 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.400 -12.257 -6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.173 -12.228 -8.532 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.150 -15.358 -7.308 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.262 -13.670 -6.800 1.00 0.00 H new ATOM 965 N LEU A 63 0.051 -11.133 -8.150 1.00 0.00 N ATOM 966 CA LEU A 63 0.784 -10.319 -9.153 1.00 0.00 C ATOM 967 C LEU A 63 2.273 -10.641 -9.071 1.00 0.00 C ATOM 968 O LEU A 63 2.841 -10.744 -8.001 1.00 0.00 O ATOM 969 CB LEU A 63 0.508 -8.865 -8.762 1.00 0.00 C ATOM 970 CG LEU A 63 0.451 -7.997 -10.019 1.00 0.00 C ATOM 971 CD1 LEU A 63 -0.782 -8.370 -10.844 1.00 0.00 C ATOM 972 CD2 LEU A 63 0.365 -6.524 -9.614 1.00 0.00 C ATOM 0 H LEU A 63 0.208 -10.863 -7.179 1.00 0.00 H new ATOM 0 HA LEU A 63 0.470 -10.518 -10.178 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.434 -8.797 -8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.289 -8.503 -8.093 1.00 0.00 H new ATOM 0 HG LEU A 63 1.349 -8.161 -10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.821 -7.750 -11.740 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.724 -9.420 -11.131 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.681 -8.206 -10.250 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.324 -5.902 -10.509 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.534 -6.362 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.243 -6.256 -9.026 1.00 0.00 H new ATOM 984 N ASP A 64 2.903 -10.819 -10.194 1.00 0.00 N ATOM 985 CA ASP A 64 4.356 -11.155 -10.210 1.00 0.00 C ATOM 986 C ASP A 64 4.593 -12.621 -9.800 1.00 0.00 C ATOM 987 O ASP A 64 5.643 -13.170 -10.068 1.00 0.00 O ATOM 988 CB ASP A 64 5.025 -10.199 -9.221 1.00 0.00 C ATOM 989 CG ASP A 64 6.429 -9.855 -9.724 1.00 0.00 C ATOM 990 OD1 ASP A 64 6.649 -9.955 -10.921 1.00 0.00 O ATOM 991 OD2 ASP A 64 7.262 -9.502 -8.906 1.00 0.00 O ATOM 0 H ASP A 64 2.471 -10.746 -11.115 1.00 0.00 H new ATOM 0 HA ASP A 64 4.771 -11.045 -11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.431 -9.291 -9.116 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.082 -10.659 -8.234 1.00 0.00 H new ATOM 996 N GLY A 65 3.640 -13.283 -9.176 1.00 0.00 N ATOM 997 CA GLY A 65 3.883 -14.712 -8.811 1.00 0.00 C ATOM 998 C GLY A 65 3.510 -14.994 -7.355 1.00 0.00 C ATOM 999 O GLY A 65 3.752 -16.071 -6.850 1.00 0.00 O ATOM 0 H GLY A 65 2.730 -12.905 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.302 -15.359 -9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.933 -14.955 -8.972 1.00 0.00 H new ATOM 1003 N GLU A 66 2.918 -14.045 -6.687 1.00 0.00 N ATOM 1004 CA GLU A 66 2.503 -14.244 -5.265 1.00 0.00 C ATOM 1005 C GLU A 66 3.673 -14.138 -4.268 1.00 0.00 C ATOM 1006 O GLU A 66 3.565 -14.662 -3.177 1.00 0.00 O ATOM 1007 CB GLU A 66 1.889 -15.650 -5.184 1.00 0.00 C ATOM 1008 CG GLU A 66 1.065 -15.948 -6.439 1.00 0.00 C ATOM 1009 CD GLU A 66 -0.251 -16.617 -6.035 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -0.194 -17.686 -5.449 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -1.292 -16.048 -6.317 1.00 0.00 O ATOM 0 H GLU A 66 2.699 -13.125 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 66 1.801 -13.458 -4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.679 -16.393 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.256 -15.727 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.865 -15.025 -6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.626 -16.599 -7.110 1.00 0.00 H new ATOM 1018 N PRO A 67 4.742 -13.455 -4.618 1.00 0.00 N ATOM 1019 CA PRO A 67 5.862 -13.316 -3.655 1.00 0.00 C ATOM 1020 C PRO A 67 5.486 -12.302 -2.567 1.00 0.00 C ATOM 1021 O PRO A 67 6.218 -11.372 -2.293 1.00 0.00 O ATOM 1022 CB PRO A 67 7.011 -12.786 -4.504 1.00 0.00 C ATOM 1023 CG PRO A 67 6.356 -12.097 -5.657 1.00 0.00 C ATOM 1024 CD PRO A 67 5.026 -12.773 -5.890 1.00 0.00 C ATOM 0 HA PRO A 67 6.113 -14.248 -3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.636 -12.097 -3.936 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.657 -13.596 -4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.216 -11.038 -5.442 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.981 -12.161 -6.548 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.249 -12.049 -6.136 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.078 -13.480 -6.718 1.00 0.00 H new ATOM 1032 N SER A 68 4.345 -12.471 -1.952 1.00 0.00 N ATOM 1033 CA SER A 68 3.912 -11.516 -0.890 1.00 0.00 C ATOM 1034 C SER A 68 4.455 -11.952 0.474 1.00 0.00 C ATOM 1035 O SER A 68 4.020 -11.485 1.511 1.00 0.00 O ATOM 1036 CB SER A 68 2.387 -11.579 -0.919 1.00 0.00 C ATOM 1037 OG SER A 68 1.977 -12.932 -1.062 1.00 0.00 O ATOM 0 H SER A 68 3.692 -13.232 -2.140 1.00 0.00 H new ATOM 0 HA SER A 68 4.283 -10.505 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.976 -11.157 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.002 -10.981 -1.745 1.00 0.00 H new ATOM 0 HG SER A 68 1.808 -13.318 -0.177 1.00 0.00 H new ATOM 1043 N TYR A 69 5.418 -12.836 0.468 1.00 0.00 N ATOM 1044 CA TYR A 69 6.037 -13.329 1.737 1.00 0.00 C ATOM 1045 C TYR A 69 4.968 -13.797 2.727 1.00 0.00 C ATOM 1046 O TYR A 69 3.793 -13.500 2.586 1.00 0.00 O ATOM 1047 CB TYR A 69 6.851 -12.165 2.345 1.00 0.00 C ATOM 1048 CG TYR A 69 6.791 -10.922 1.480 1.00 0.00 C ATOM 1049 CD1 TYR A 69 7.374 -10.929 0.210 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.152 -9.766 1.948 1.00 0.00 C ATOM 1051 CE1 TYR A 69 7.316 -9.784 -0.591 1.00 0.00 C ATOM 1052 CE2 TYR A 69 6.095 -8.623 1.149 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.679 -8.629 -0.121 1.00 0.00 C ATOM 1054 OH TYR A 69 6.626 -7.498 -0.911 1.00 0.00 O ATOM 0 H TYR A 69 5.810 -13.246 -0.380 1.00 0.00 H new ATOM 0 HA TYR A 69 6.681 -14.183 1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.468 -11.934 3.339 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.889 -12.473 2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.869 -11.818 -0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.702 -9.759 2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.763 -9.791 -1.574 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.600 -7.734 1.512 1.00 0.00 H new ATOM 0 HH TYR A 69 7.203 -6.804 -0.528 1.00 0.00 H new ATOM 1064 N PRO A 70 5.429 -14.519 3.710 1.00 0.00 N ATOM 1065 CA PRO A 70 4.528 -15.048 4.759 1.00 0.00 C ATOM 1066 C PRO A 70 4.000 -13.904 5.617 1.00 0.00 C ATOM 1067 O PRO A 70 3.180 -14.102 6.492 1.00 0.00 O ATOM 1068 CB PRO A 70 5.431 -15.972 5.575 1.00 0.00 C ATOM 1069 CG PRO A 70 6.813 -15.456 5.340 1.00 0.00 C ATOM 1070 CD PRO A 70 6.827 -14.898 3.942 1.00 0.00 C ATOM 0 HA PRO A 70 3.654 -15.563 4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.173 -15.944 6.634 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.335 -17.008 5.250 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.069 -14.686 6.068 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.549 -16.253 5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.494 -14.040 3.859 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.168 -15.638 3.218 1.00 0.00 H new ATOM 1078 N VAL A 71 4.456 -12.704 5.374 1.00 0.00 N ATOM 1079 CA VAL A 71 3.953 -11.571 6.193 1.00 0.00 C ATOM 1080 C VAL A 71 2.730 -10.939 5.530 1.00 0.00 C ATOM 1081 O VAL A 71 1.666 -10.951 6.108 1.00 0.00 O ATOM 1082 CB VAL A 71 5.102 -10.566 6.366 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.966 -10.984 7.556 1.00 0.00 C ATOM 1084 CG2 VAL A 71 5.973 -10.519 5.114 1.00 0.00 C ATOM 0 H VAL A 71 5.142 -12.465 4.658 1.00 0.00 H new ATOM 0 HA VAL A 71 3.631 -11.915 7.176 1.00 0.00 H new ATOM 0 HB VAL A 71 4.674 -9.578 6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.782 -10.272 7.681 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.357 -11.000 8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.376 -11.978 7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.780 -9.801 5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.395 -11.506 4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.367 -10.216 4.260 1.00 0.00 H new ATOM 1094 N ALA A 72 2.832 -10.425 4.319 1.00 0.00 N ATOM 1095 CA ALA A 72 1.605 -9.863 3.670 1.00 0.00 C ATOM 1096 C ALA A 72 0.473 -10.846 3.928 1.00 0.00 C ATOM 1097 O ALA A 72 -0.659 -10.487 4.188 1.00 0.00 O ATOM 1098 CB ALA A 72 1.930 -9.827 2.187 1.00 0.00 C ATOM 0 H ALA A 72 3.689 -10.373 3.769 1.00 0.00 H new ATOM 0 HA ALA A 72 1.319 -8.878 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.078 -9.426 1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.801 -9.193 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.145 -10.837 1.837 1.00 0.00 H new ATOM 1104 N ASP A 73 0.820 -12.100 3.898 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.164 -13.169 4.178 1.00 0.00 C ATOM 1106 C ASP A 73 -0.720 -12.985 5.585 1.00 0.00 C ATOM 1107 O ASP A 73 -1.914 -12.954 5.809 1.00 0.00 O ATOM 1108 CB ASP A 73 0.669 -14.433 4.128 1.00 0.00 C ATOM 1109 CG ASP A 73 0.707 -14.971 2.696 1.00 0.00 C ATOM 1110 OD1 ASP A 73 1.412 -14.393 1.886 1.00 0.00 O ATOM 1111 OD2 ASP A 73 0.031 -15.953 2.435 1.00 0.00 O ATOM 0 H ASP A 73 1.761 -12.431 3.687 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.005 -13.178 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.681 -14.227 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.249 -15.184 4.797 1.00 0.00 H new ATOM 1116 N ILE A 74 0.166 -12.864 6.532 1.00 0.00 N ATOM 1117 CA ILE A 74 -0.255 -12.678 7.947 1.00 0.00 C ATOM 1118 C ILE A 74 -0.839 -11.280 8.119 1.00 0.00 C ATOM 1119 O ILE A 74 -1.794 -11.071 8.840 1.00 0.00 O ATOM 1120 CB ILE A 74 1.024 -12.838 8.768 1.00 0.00 C ATOM 1121 CG1 ILE A 74 1.456 -14.307 8.751 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.765 -12.399 10.210 1.00 0.00 C ATOM 1123 CD1 ILE A 74 2.800 -14.453 9.465 1.00 0.00 C ATOM 0 H ILE A 74 1.175 -12.886 6.384 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.019 -13.390 8.259 1.00 0.00 H new ATOM 0 HB ILE A 74 1.812 -12.220 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.703 -14.924 9.241 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.538 -14.661 7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.678 -12.514 10.795 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.455 -11.354 10.222 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.023 -13.016 10.642 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.107 -15.499 9.453 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.550 -13.849 8.955 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.702 -14.116 10.497 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.283 -10.323 7.434 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.809 -8.942 7.522 1.00 0.00 C ATOM 1137 C LEU A 75 -2.290 -8.960 7.145 1.00 0.00 C ATOM 1138 O LEU A 75 -3.034 -8.050 7.441 1.00 0.00 O ATOM 1139 CB LEU A 75 0.013 -8.152 6.503 1.00 0.00 C ATOM 1140 CG LEU A 75 0.169 -6.708 6.976 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.083 -6.672 8.202 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.787 -5.872 5.854 1.00 0.00 C ATOM 0 H LEU A 75 0.518 -10.442 6.814 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.731 -8.504 8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.993 -8.612 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.477 -8.175 5.530 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.807 -6.301 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.196 -5.642 8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.645 -7.271 9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.060 -7.077 7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.900 -4.841 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.765 -6.278 5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.138 -5.901 4.979 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.715 -10.006 6.491 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.135 -10.117 6.087 1.00 0.00 C ATOM 1156 C ALA A 76 -4.933 -10.877 7.152 1.00 0.00 C ATOM 1157 O ALA A 76 -6.054 -10.528 7.465 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.097 -10.902 4.776 1.00 0.00 C ATOM 0 H ALA A 76 -2.128 -10.795 6.219 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.616 -9.146 5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.112 -11.033 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.506 -10.355 4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.646 -11.879 4.950 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.370 -11.918 7.710 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.110 -12.692 8.746 1.00 0.00 C ATOM 1166 C GLU A 77 -5.293 -11.846 10.011 1.00 0.00 C ATOM 1167 O GLU A 77 -6.082 -12.171 10.877 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.251 -13.934 9.018 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.115 -13.595 9.988 1.00 0.00 C ATOM 1170 CD GLU A 77 -2.420 -14.885 10.429 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -2.748 -15.928 9.887 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -1.573 -14.809 11.304 1.00 0.00 O ATOM 0 H GLU A 77 -3.435 -12.263 7.493 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.111 -12.972 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.870 -14.728 9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.838 -14.311 8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.398 -12.929 9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.509 -13.066 10.856 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.581 -10.756 10.118 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.726 -9.885 11.313 1.00 0.00 C ATOM 1181 C ARG A 78 -4.994 -8.442 10.873 1.00 0.00 C ATOM 1182 O ARG A 78 -5.731 -7.717 11.510 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.399 -10.002 12.074 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.319 -9.144 11.406 1.00 0.00 C ATOM 1185 CD ARG A 78 -2.325 -7.733 12.006 1.00 0.00 C ATOM 1186 NE ARG A 78 -2.025 -7.926 13.450 1.00 0.00 N ATOM 1187 CZ ARG A 78 -0.847 -7.612 13.915 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -0.613 -6.399 14.332 1.00 0.00 N ATOM 1189 NH2 ARG A 78 0.098 -8.511 13.955 1.00 0.00 N ATOM 0 H ARG A 78 -3.905 -10.433 9.426 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.563 -10.182 11.945 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.537 -9.684 13.107 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.079 -11.044 12.101 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.340 -9.603 11.545 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.497 -9.092 10.332 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.578 -7.099 11.529 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.291 -7.249 11.865 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.738 -8.303 14.075 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.351 -5.696 14.295 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.308 -6.153 14.696 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.085 -9.458 13.623 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.019 -8.267 14.318 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.419 -8.037 9.770 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.639 -6.659 9.247 1.00 0.00 C ATOM 1205 C ASN A 79 -4.337 -5.578 10.296 1.00 0.00 C ATOM 1206 O ASN A 79 -4.656 -5.696 11.461 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.108 -6.622 8.845 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.480 -7.906 8.103 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -7.044 -8.812 8.681 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.189 -8.019 6.838 1.00 0.00 N ATOM 0 H ASN A 79 -3.797 -8.613 9.203 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.968 -6.446 8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.733 -6.510 9.731 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.298 -5.757 8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.435 -8.870 6.332 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.715 -7.257 6.354 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.728 -4.513 9.856 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.384 -3.371 10.756 1.00 0.00 C ATOM 1219 C VAL A 80 -3.719 -2.076 9.987 1.00 0.00 C ATOM 1220 O VAL A 80 -4.220 -2.163 8.887 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.874 -3.573 11.009 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -1.028 -2.597 10.179 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.571 -3.393 12.501 1.00 0.00 C ATOM 0 H VAL A 80 -3.446 -4.381 8.885 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.920 -3.315 11.703 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.612 -4.585 10.701 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.029 -2.768 10.382 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.224 -2.757 9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.288 -1.573 10.446 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.505 -3.536 12.676 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.858 -2.388 12.812 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.135 -4.126 13.078 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.435 -0.913 10.532 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.733 0.325 9.770 1.00 0.00 C ATOM 1235 C PRO A 81 -2.889 0.302 8.501 1.00 0.00 C ATOM 1236 O PRO A 81 -1.677 0.262 8.557 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.343 1.446 10.725 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.372 0.815 11.668 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.821 -0.616 11.832 1.00 0.00 C ATOM 0 HA PRO A 81 -4.770 0.441 9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.891 2.282 10.192 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.212 1.837 11.254 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.357 0.863 11.273 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.365 1.334 12.626 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.984 -1.281 12.046 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.533 -0.726 12.650 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.528 0.270 7.361 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.774 0.169 6.077 1.00 0.00 C ATOM 1249 C PHE A 82 -3.731 -0.008 4.897 1.00 0.00 C ATOM 1250 O PHE A 82 -4.818 0.527 4.866 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.957 -1.127 6.233 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.867 -2.360 6.146 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.261 -2.261 6.347 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.302 -3.615 5.876 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.070 -3.403 6.277 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.119 -4.757 5.810 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.498 -4.648 6.010 1.00 0.00 C ATOM 0 H PHE A 82 -4.543 0.310 7.264 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.174 1.059 5.887 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.194 -1.177 5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.436 -1.121 7.191 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.706 -1.300 6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.237 -3.704 5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.136 -3.320 6.430 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.680 -5.722 5.604 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.122 -5.528 5.958 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.326 -0.822 3.961 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.166 -1.148 2.785 1.00 0.00 C ATOM 1269 C ILE A 83 -3.498 -2.322 2.079 1.00 0.00 C ATOM 1270 O ILE A 83 -2.289 -2.423 2.072 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.186 0.103 1.905 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.620 0.619 1.790 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.682 -0.221 0.484 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.904 1.652 2.880 1.00 0.00 C ATOM 0 H ILE A 83 -2.418 -1.286 3.968 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.190 -1.424 3.038 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.538 0.851 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.775 1.066 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.320 -0.212 1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.705 0.683 -0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.660 -0.597 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.324 -0.978 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.929 2.010 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.770 1.193 3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.216 2.491 2.775 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.247 -3.201 1.492 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.606 -4.346 0.803 1.00 0.00 C ATOM 1288 C PHE A 84 -4.545 -4.940 -0.241 1.00 0.00 C ATOM 1289 O PHE A 84 -5.757 -4.911 -0.110 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.329 -5.359 1.914 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.491 -6.511 1.389 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -1.717 -6.344 0.243 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.506 -7.759 2.035 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -0.974 -7.402 -0.262 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.754 -8.826 1.518 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.990 -8.643 0.365 1.00 0.00 C ATOM 0 H PHE A 84 -5.266 -3.179 1.458 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.699 -4.054 0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.809 -4.870 2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.271 -5.738 2.311 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.695 -5.386 -0.255 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.096 -7.897 2.929 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.377 -7.260 -1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.767 -9.786 2.012 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.413 -9.462 -0.039 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.997 -5.491 -1.273 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.843 -6.106 -2.307 1.00 0.00 C ATOM 1308 C ALA A 85 -4.165 -7.392 -2.805 1.00 0.00 C ATOM 1309 O ALA A 85 -3.055 -7.356 -3.296 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.905 -5.077 -3.430 1.00 0.00 C ATOM 0 H ALA A 85 -2.993 -5.541 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.837 -6.367 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.520 -5.462 -4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.340 -4.152 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.898 -4.880 -3.799 1.00 0.00 H new ATOM 1316 N THR A 86 -4.803 -8.521 -2.679 1.00 0.00 N ATOM 1317 CA THR A 86 -4.161 -9.796 -3.144 1.00 0.00 C ATOM 1318 C THR A 86 -5.234 -10.725 -3.716 1.00 0.00 C ATOM 1319 O THR A 86 -6.055 -11.230 -2.983 1.00 0.00 O ATOM 1320 CB THR A 86 -3.508 -10.432 -1.895 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.125 -11.684 -1.626 1.00 0.00 O ATOM 1322 CG2 THR A 86 -3.656 -9.529 -0.660 1.00 0.00 C ATOM 0 H THR A 86 -5.735 -8.623 -2.278 1.00 0.00 H new ATOM 0 HA THR A 86 -3.420 -9.619 -3.924 1.00 0.00 H new ATOM 0 HB THR A 86 -2.446 -10.564 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.093 -11.559 -1.535 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.186 -10.007 0.199 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.174 -8.570 -0.850 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.714 -9.368 -0.452 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.249 -10.956 -5.014 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.309 -11.844 -5.591 1.00 0.00 C ATOM 1332 C GLY A 87 -7.628 -11.481 -4.929 1.00 0.00 C ATOM 1333 O GLY A 87 -8.448 -12.321 -4.614 1.00 0.00 O ATOM 0 H GLY A 87 -4.583 -10.574 -5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.374 -11.710 -6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.068 -12.892 -5.414 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.796 -10.223 -4.678 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.009 -9.739 -3.986 1.00 0.00 C ATOM 1339 C TYR A 88 -9.282 -10.596 -2.761 1.00 0.00 C ATOM 1340 O TYR A 88 -10.420 -10.853 -2.417 1.00 0.00 O ATOM 1341 CB TYR A 88 -10.173 -9.836 -4.962 1.00 0.00 C ATOM 1342 CG TYR A 88 -11.398 -9.259 -4.283 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -11.427 -7.903 -3.928 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -12.501 -10.076 -4.000 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -12.555 -7.366 -3.295 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -13.630 -9.538 -3.367 1.00 0.00 C ATOM 1347 CZ TYR A 88 -13.658 -8.183 -3.015 1.00 0.00 C ATOM 1348 OH TYR A 88 -14.771 -7.652 -2.392 1.00 0.00 O ATOM 0 H TYR A 88 -7.129 -9.493 -4.929 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.876 -8.708 -3.659 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.950 -9.288 -5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.347 -10.874 -5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.578 -7.271 -4.143 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -12.481 -11.122 -4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.575 -6.321 -3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -14.479 -10.169 -3.151 1.00 0.00 H new ATOM 0 HH TYR A 88 -15.445 -8.353 -2.273 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.253 -11.023 -2.079 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.480 -11.837 -0.856 1.00 0.00 C ATOM 1360 C GLY A 89 -9.528 -11.105 -0.034 1.00 0.00 C ATOM 1361 O GLY A 89 -10.282 -11.698 0.709 1.00 0.00 O ATOM 0 H GLY A 89 -7.277 -10.845 -2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.822 -12.839 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.555 -11.952 -0.290 1.00 0.00 H new ATOM 1365 N SER A 90 -9.574 -9.804 -0.206 1.00 0.00 N ATOM 1366 CA SER A 90 -10.562 -8.950 0.506 1.00 0.00 C ATOM 1367 C SER A 90 -10.937 -9.559 1.864 1.00 0.00 C ATOM 1368 O SER A 90 -10.336 -9.267 2.879 1.00 0.00 O ATOM 1369 CB SER A 90 -11.779 -8.913 -0.417 1.00 0.00 C ATOM 1370 OG SER A 90 -12.952 -8.724 0.361 1.00 0.00 O ATOM 0 H SER A 90 -8.949 -9.292 -0.828 1.00 0.00 H new ATOM 0 HA SER A 90 -10.166 -7.956 0.714 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.676 -8.106 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.849 -9.842 -0.982 1.00 0.00 H new ATOM 0 HG SER A 90 -13.735 -8.698 -0.228 1.00 0.00 H new ATOM 1376 N LYS A 91 -11.926 -10.419 1.881 1.00 0.00 N ATOM 1377 CA LYS A 91 -12.342 -11.069 3.159 1.00 0.00 C ATOM 1378 C LYS A 91 -12.863 -10.012 4.143 1.00 0.00 C ATOM 1379 O LYS A 91 -13.044 -10.273 5.317 1.00 0.00 O ATOM 1380 CB LYS A 91 -11.062 -11.762 3.670 1.00 0.00 C ATOM 1381 CG LYS A 91 -10.890 -11.575 5.183 1.00 0.00 C ATOM 1382 CD LYS A 91 -9.693 -12.394 5.664 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.455 -11.496 5.732 1.00 0.00 C ATOM 1384 NZ LYS A 91 -7.939 -11.449 4.337 1.00 0.00 N ATOM 0 H LYS A 91 -12.464 -10.699 1.061 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.156 -11.783 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.104 -12.826 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.194 -11.355 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.740 -10.521 5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.794 -11.891 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.901 -12.820 6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.514 -13.228 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.709 -10.499 6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.709 -11.902 6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.929 -11.695 4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.464 -12.128 3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.064 -10.491 3.953 1.00 0.00 H new ATOM 1398 N GLY A 92 -13.105 -8.822 3.678 1.00 0.00 N ATOM 1399 CA GLY A 92 -13.601 -7.764 4.597 1.00 0.00 C ATOM 1400 C GLY A 92 -12.414 -7.213 5.380 1.00 0.00 C ATOM 1401 O GLY A 92 -12.509 -6.938 6.560 1.00 0.00 O ATOM 0 H GLY A 92 -12.982 -8.536 2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -14.086 -6.968 4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.348 -8.172 5.278 1.00 0.00 H new ATOM 1405 N LEU A 93 -11.296 -7.064 4.716 1.00 0.00 N ATOM 1406 CA LEU A 93 -10.064 -6.537 5.376 1.00 0.00 C ATOM 1407 C LEU A 93 -10.412 -5.564 6.506 1.00 0.00 C ATOM 1408 O LEU A 93 -11.298 -4.741 6.389 1.00 0.00 O ATOM 1409 CB LEU A 93 -9.271 -5.845 4.253 1.00 0.00 C ATOM 1410 CG LEU A 93 -9.967 -4.560 3.758 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -11.457 -4.805 3.502 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.798 -3.442 4.793 1.00 0.00 C ATOM 0 H LEU A 93 -11.184 -7.289 3.728 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.482 -7.330 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.272 -5.600 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.148 -6.535 3.418 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.501 -4.262 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -11.923 -3.883 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -11.573 -5.579 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.937 -5.128 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.292 -2.538 4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.245 -3.751 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.737 -3.241 4.942 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.719 -5.659 7.608 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.004 -4.742 8.747 1.00 0.00 C ATOM 1426 C ASP A 94 -8.830 -3.786 8.953 1.00 0.00 C ATOM 1427 O ASP A 94 -7.685 -4.156 8.794 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.209 -5.647 9.965 1.00 0.00 C ATOM 1429 CG ASP A 94 -8.858 -6.126 10.494 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.078 -5.287 10.915 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.626 -7.323 10.472 1.00 0.00 O ATOM 0 H ASP A 94 -8.969 -6.331 7.768 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.884 -4.123 8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.743 -5.105 10.745 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.826 -6.503 9.692 1.00 0.00 H new ATOM 1436 N THR A 95 -9.103 -2.564 9.309 1.00 0.00 N ATOM 1437 CA THR A 95 -7.998 -1.589 9.525 1.00 0.00 C ATOM 1438 C THR A 95 -8.572 -0.230 9.914 1.00 0.00 C ATOM 1439 O THR A 95 -9.770 -0.027 9.912 1.00 0.00 O ATOM 1440 CB THR A 95 -7.283 -1.497 8.175 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.231 -0.545 8.258 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.279 -1.078 7.093 1.00 0.00 C ATOM 0 H THR A 95 -10.043 -2.197 9.460 1.00 0.00 H new ATOM 0 HA THR A 95 -7.324 -1.896 10.325 1.00 0.00 H new ATOM 0 HB THR A 95 -6.866 -2.471 7.918 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.371 -1.012 8.316 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.767 -1.013 6.133 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.079 -1.816 7.029 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.702 -0.106 7.345 1.00 0.00 H new ATOM 1450 N ARG A 96 -7.729 0.710 10.232 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.237 2.057 10.597 1.00 0.00 C ATOM 1452 C ARG A 96 -8.623 2.810 9.323 1.00 0.00 C ATOM 1453 O ARG A 96 -9.053 3.946 9.364 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.072 2.752 11.304 1.00 0.00 C ATOM 1455 CG ARG A 96 -6.508 1.835 12.393 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.389 1.919 13.640 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.508 1.479 14.756 1.00 0.00 N ATOM 1458 CZ ARG A 96 -5.629 2.305 15.251 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -6.025 3.346 15.931 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -4.354 2.095 15.061 1.00 0.00 N ATOM 0 H ARG A 96 -6.715 0.604 10.255 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.119 2.016 11.236 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.292 2.999 10.584 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.409 3.691 11.744 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.468 0.807 12.032 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.487 2.128 12.636 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.753 2.934 13.800 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.265 1.276 13.550 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.592 0.535 15.132 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.021 3.513 16.075 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.339 3.993 16.319 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.045 1.284 14.525 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.667 2.742 15.449 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.471 2.179 8.186 1.00 0.00 N ATOM 1475 CA TYR A 97 -8.824 2.851 6.906 1.00 0.00 C ATOM 1476 C TYR A 97 -10.323 2.667 6.613 1.00 0.00 C ATOM 1477 O TYR A 97 -10.962 3.543 6.065 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.912 2.182 5.875 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.514 2.699 6.095 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.823 2.347 7.258 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -5.922 3.550 5.155 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.535 2.842 7.482 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.634 4.052 5.383 1.00 0.00 C ATOM 1484 CZ TYR A 97 -3.941 3.696 6.547 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.680 4.197 6.780 1.00 0.00 O ATOM 0 H TYR A 97 -8.117 1.227 8.092 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.673 3.930 6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.941 1.098 5.986 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.248 2.408 4.863 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.284 1.693 7.983 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.457 3.819 4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.998 2.565 8.377 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.176 4.713 4.662 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.010 3.535 6.510 1.00 0.00 H new ATOM 1495 N SER A 98 -10.898 1.556 7.021 1.00 0.00 N ATOM 1496 CA SER A 98 -12.364 1.327 6.832 1.00 0.00 C ATOM 1497 C SER A 98 -12.725 0.990 5.387 1.00 0.00 C ATOM 1498 O SER A 98 -13.407 1.746 4.728 1.00 0.00 O ATOM 1499 CB SER A 98 -13.029 2.639 7.250 1.00 0.00 C ATOM 1500 OG SER A 98 -12.329 3.188 8.359 1.00 0.00 O ATOM 0 H SER A 98 -10.405 0.791 7.482 1.00 0.00 H new ATOM 0 HA SER A 98 -12.697 0.473 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.025 3.343 6.418 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.072 2.463 7.514 1.00 0.00 H new ATOM 0 HG SER A 98 -12.752 4.030 8.628 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.320 -0.153 4.897 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.703 -0.518 3.504 1.00 0.00 C ATOM 1508 C ASN A 99 -12.345 0.625 2.553 1.00 0.00 C ATOM 1509 O ASN A 99 -13.027 1.628 2.475 1.00 0.00 O ATOM 1510 CB ASN A 99 -14.204 -0.708 3.614 1.00 0.00 C ATOM 1511 CG ASN A 99 -14.499 -2.175 3.938 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -15.555 -2.680 3.612 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -13.601 -2.885 4.569 1.00 0.00 N ATOM 0 H ASN A 99 -11.750 -0.838 5.393 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.196 -1.400 3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.609 -0.062 4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.689 -0.424 2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.786 -3.864 4.788 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.715 -2.460 4.842 1.00 0.00 H new ATOM 1520 N ILE A 100 -11.248 0.500 1.870 1.00 0.00 N ATOM 1521 CA ILE A 100 -10.791 1.593 0.976 1.00 0.00 C ATOM 1522 C ILE A 100 -10.233 0.961 -0.329 1.00 0.00 C ATOM 1523 O ILE A 100 -10.851 0.042 -0.830 1.00 0.00 O ATOM 1524 CB ILE A 100 -9.749 2.335 1.844 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -10.136 2.278 3.337 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -9.703 3.812 1.439 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -9.692 0.943 3.964 1.00 0.00 C ATOM 0 H ILE A 100 -10.642 -0.320 1.893 1.00 0.00 H new ATOM 0 HA ILE A 100 -11.555 2.292 0.635 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.784 1.853 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.672 3.108 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.215 2.394 3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.968 4.334 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.423 3.893 0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.685 4.261 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.974 0.924 5.017 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -10.177 0.117 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.610 0.842 3.877 1.00 0.00 H new ATOM 1539 N PRO A 101 -9.118 1.426 -0.885 1.00 0.00 N ATOM 1540 CA PRO A 101 -8.639 0.797 -2.142 1.00 0.00 C ATOM 1541 C PRO A 101 -8.061 -0.584 -1.850 1.00 0.00 C ATOM 1542 O PRO A 101 -6.886 -0.826 -2.041 1.00 0.00 O ATOM 1543 CB PRO A 101 -7.543 1.734 -2.634 1.00 0.00 C ATOM 1544 CG PRO A 101 -7.052 2.419 -1.407 1.00 0.00 C ATOM 1545 CD PRO A 101 -8.218 2.518 -0.461 1.00 0.00 C ATOM 0 HA PRO A 101 -9.434 0.660 -2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.742 1.182 -3.127 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.930 2.450 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.234 1.859 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.665 3.409 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.903 2.395 0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.708 3.489 -0.532 1.00 0.00 H new ATOM 1553 N LEU A 102 -8.866 -1.495 -1.380 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.330 -2.849 -1.077 1.00 0.00 C ATOM 1555 C LEU A 102 -8.948 -3.901 -2.000 1.00 0.00 C ATOM 1556 O LEU A 102 -10.145 -3.943 -2.203 1.00 0.00 O ATOM 1557 CB LEU A 102 -8.703 -3.120 0.383 1.00 0.00 C ATOM 1558 CG LEU A 102 -7.769 -2.337 1.310 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -8.524 -1.140 1.886 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -7.300 -3.242 2.455 1.00 0.00 C ATOM 0 H LEU A 102 -9.860 -1.363 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.252 -2.898 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.738 -2.829 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.630 -4.187 0.595 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.902 -1.991 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.865 -0.578 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.858 -0.495 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.388 -1.492 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.636 -2.682 3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.164 -3.589 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.767 -4.100 2.046 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.129 -4.764 -2.544 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.645 -5.837 -3.453 1.00 0.00 C ATOM 1574 C LEU A 103 -7.490 -6.504 -4.223 1.00 0.00 C ATOM 1575 O LEU A 103 -7.101 -7.616 -3.923 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.626 -5.149 -4.419 1.00 0.00 C ATOM 1577 CG LEU A 103 -9.101 -3.774 -4.849 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -8.959 -3.742 -6.373 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -10.088 -2.686 -4.419 1.00 0.00 C ATOM 0 H LEU A 103 -7.120 -4.773 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.140 -6.628 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.776 -5.776 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.597 -5.037 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.134 -3.596 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.586 -2.766 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.259 -4.515 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.931 -3.922 -6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.711 -1.711 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.055 -2.866 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.202 -2.706 -3.335 1.00 0.00 H new ATOM 1591 N THR A 104 -6.932 -5.844 -5.207 1.00 0.00 N ATOM 1592 CA THR A 104 -5.810 -6.451 -5.974 1.00 0.00 C ATOM 1593 C THR A 104 -5.057 -5.378 -6.771 1.00 0.00 C ATOM 1594 O THR A 104 -3.908 -5.086 -6.502 1.00 0.00 O ATOM 1595 CB THR A 104 -6.468 -7.452 -6.922 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.906 -8.581 -6.186 1.00 0.00 O ATOM 1597 CG2 THR A 104 -5.459 -7.891 -7.982 1.00 0.00 C ATOM 0 H THR A 104 -7.208 -4.910 -5.510 1.00 0.00 H new ATOM 0 HA THR A 104 -5.081 -6.926 -5.317 1.00 0.00 H new ATOM 0 HB THR A 104 -7.323 -6.983 -7.410 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.954 -9.360 -6.779 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.929 -8.605 -8.658 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.124 -7.022 -8.548 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.603 -8.360 -7.497 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.693 -4.796 -7.756 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.011 -3.747 -8.576 1.00 0.00 C ATOM 1607 C LYS A 105 -4.189 -2.819 -7.674 1.00 0.00 C ATOM 1608 O LYS A 105 -4.656 -2.387 -6.639 1.00 0.00 O ATOM 1609 CB LYS A 105 -6.143 -2.977 -9.260 1.00 0.00 C ATOM 1610 CG LYS A 105 -6.512 -3.670 -10.576 1.00 0.00 C ATOM 1611 CD LYS A 105 -7.637 -4.679 -10.329 1.00 0.00 C ATOM 1612 CE LYS A 105 -8.466 -4.851 -11.606 1.00 0.00 C ATOM 1613 NZ LYS A 105 -9.413 -3.701 -11.609 1.00 0.00 N ATOM 0 H LYS A 105 -6.654 -5.001 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.318 -4.175 -9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.013 -2.931 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.834 -1.950 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.828 -2.930 -11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.640 -4.177 -10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.218 -5.638 -10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.274 -4.336 -9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.832 -4.842 -12.492 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.999 -5.802 -11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.921 -3.672 -12.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.096 -3.812 -10.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.884 -2.815 -11.480 1.00 0.00 H new ATOM 1627 N PRO A 106 -2.980 -2.554 -8.098 1.00 0.00 N ATOM 1628 CA PRO A 106 -2.072 -1.677 -7.317 1.00 0.00 C ATOM 1629 C PRO A 106 -2.487 -0.206 -7.430 1.00 0.00 C ATOM 1630 O PRO A 106 -2.815 0.434 -6.449 1.00 0.00 O ATOM 1631 CB PRO A 106 -0.709 -1.906 -7.966 1.00 0.00 C ATOM 1632 CG PRO A 106 -1.009 -2.356 -9.361 1.00 0.00 C ATOM 1633 CD PRO A 106 -2.352 -3.041 -9.332 1.00 0.00 C ATOM 0 HA PRO A 106 -2.083 -1.905 -6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.115 -0.992 -7.966 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.136 -2.659 -7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.026 -1.506 -10.044 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.238 -3.038 -9.719 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.947 -2.787 -10.209 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.245 -4.126 -9.323 1.00 0.00 H new ATOM 1641 N PHE A 107 -2.469 0.340 -8.615 1.00 0.00 N ATOM 1642 CA PHE A 107 -2.856 1.771 -8.782 1.00 0.00 C ATOM 1643 C PHE A 107 -3.822 1.923 -9.961 1.00 0.00 C ATOM 1644 O PHE A 107 -4.476 0.981 -10.362 1.00 0.00 O ATOM 1645 CB PHE A 107 -1.539 2.500 -9.057 1.00 0.00 C ATOM 1646 CG PHE A 107 -1.007 3.071 -7.764 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -0.237 2.270 -6.913 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.284 4.399 -7.415 1.00 0.00 C ATOM 1649 CE1 PHE A 107 0.253 2.795 -5.711 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -0.794 4.924 -6.214 1.00 0.00 C ATOM 1651 CZ PHE A 107 -0.024 4.122 -5.362 1.00 0.00 C ATOM 0 H PHE A 107 -2.204 -0.141 -9.474 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.367 2.172 -7.907 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -0.813 1.812 -9.491 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.696 3.298 -9.783 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.021 1.247 -7.183 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.876 5.018 -8.073 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.845 2.176 -5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.009 5.947 -5.944 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.356 4.527 -4.436 1.00 0.00 H new ATOM 1661 N LEU A 108 -3.924 3.101 -10.521 1.00 0.00 N ATOM 1662 CA LEU A 108 -4.856 3.299 -11.670 1.00 0.00 C ATOM 1663 C LEU A 108 -6.305 3.198 -11.178 1.00 0.00 C ATOM 1664 O LEU A 108 -6.648 3.748 -10.150 1.00 0.00 O ATOM 1665 CB LEU A 108 -4.519 2.171 -12.649 1.00 0.00 C ATOM 1666 CG LEU A 108 -4.545 2.712 -14.077 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -3.170 2.517 -14.716 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -5.599 1.956 -14.889 1.00 0.00 C ATOM 0 H LEU A 108 -3.405 3.930 -10.234 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.751 4.276 -12.141 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.535 1.760 -12.422 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.236 1.357 -12.544 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.793 3.773 -14.062 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.185 2.902 -15.736 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.420 3.054 -14.136 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.924 1.455 -14.733 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.618 2.341 -15.908 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.352 0.895 -14.907 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.578 2.093 -14.431 1.00 0.00 H new ATOM 1680 N ASP A 109 -7.159 2.504 -11.891 1.00 0.00 N ATOM 1681 CA ASP A 109 -8.575 2.381 -11.433 1.00 0.00 C ATOM 1682 C ASP A 109 -8.607 2.166 -9.918 1.00 0.00 C ATOM 1683 O ASP A 109 -9.542 2.547 -9.244 1.00 0.00 O ATOM 1684 CB ASP A 109 -9.135 1.165 -12.172 1.00 0.00 C ATOM 1685 CG ASP A 109 -8.543 -0.115 -11.579 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -7.352 -0.127 -11.320 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -9.292 -1.061 -11.397 1.00 0.00 O ATOM 0 H ASP A 109 -6.938 2.022 -12.762 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.163 3.275 -11.642 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.222 1.146 -12.091 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.896 1.230 -13.233 1.00 0.00 H new ATOM 1692 N SER A 110 -7.574 1.577 -9.376 1.00 0.00 N ATOM 1693 CA SER A 110 -7.524 1.360 -7.902 1.00 0.00 C ATOM 1694 C SER A 110 -7.356 2.707 -7.198 1.00 0.00 C ATOM 1695 O SER A 110 -8.113 3.058 -6.316 1.00 0.00 O ATOM 1696 CB SER A 110 -6.296 0.483 -7.672 1.00 0.00 C ATOM 1697 OG SER A 110 -6.512 -0.337 -6.531 1.00 0.00 O ATOM 0 H SER A 110 -6.762 1.237 -9.892 1.00 0.00 H new ATOM 0 HA SER A 110 -8.430 0.895 -7.513 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.108 -0.136 -8.549 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.413 1.105 -7.525 1.00 0.00 H new ATOM 0 HG SER A 110 -5.851 -1.060 -6.518 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.370 3.470 -7.593 1.00 0.00 N ATOM 1704 CA GLU A 111 -6.160 4.801 -6.958 1.00 0.00 C ATOM 1705 C GLU A 111 -7.503 5.522 -6.836 1.00 0.00 C ATOM 1706 O GLU A 111 -7.701 6.351 -5.970 1.00 0.00 O ATOM 1707 CB GLU A 111 -5.226 5.554 -7.906 1.00 0.00 C ATOM 1708 CG GLU A 111 -5.055 6.993 -7.416 1.00 0.00 C ATOM 1709 CD GLU A 111 -5.811 7.943 -8.346 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -6.978 8.190 -8.088 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -5.211 8.407 -9.302 1.00 0.00 O ATOM 0 H GLU A 111 -5.704 3.228 -8.326 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.737 4.728 -5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.257 5.056 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.634 5.549 -8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.431 7.089 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.998 7.257 -7.391 1.00 0.00 H new ATOM 1718 N LEU A 112 -8.433 5.192 -7.691 1.00 0.00 N ATOM 1719 CA LEU A 112 -9.775 5.838 -7.619 1.00 0.00 C ATOM 1720 C LEU A 112 -10.465 5.379 -6.338 1.00 0.00 C ATOM 1721 O LEU A 112 -10.904 6.175 -5.534 1.00 0.00 O ATOM 1722 CB LEU A 112 -10.542 5.351 -8.854 1.00 0.00 C ATOM 1723 CG LEU A 112 -9.613 5.318 -10.071 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -10.447 5.175 -11.345 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -8.800 6.614 -10.139 1.00 0.00 C ATOM 0 H LEU A 112 -8.322 4.504 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.721 6.927 -7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.949 4.357 -8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.388 6.010 -9.050 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.933 4.471 -9.980 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.786 5.151 -12.212 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -11.022 4.250 -11.302 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.128 6.022 -11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.141 6.585 -11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.477 7.464 -10.226 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.203 6.717 -9.233 1.00 0.00 H new ATOM 1737 N GLU A 113 -10.532 4.092 -6.129 1.00 0.00 N ATOM 1738 CA GLU A 113 -11.155 3.574 -4.882 1.00 0.00 C ATOM 1739 C GLU A 113 -10.327 4.045 -3.693 1.00 0.00 C ATOM 1740 O GLU A 113 -10.758 4.000 -2.558 1.00 0.00 O ATOM 1741 CB GLU A 113 -11.082 2.047 -5.004 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.553 1.633 -6.398 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.309 0.306 -6.313 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -12.985 0.092 -5.320 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -12.202 -0.474 -7.246 1.00 0.00 O ATOM 0 H GLU A 113 -10.182 3.379 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.180 3.917 -4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.061 1.705 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.705 1.579 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.198 2.404 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.698 1.534 -7.067 1.00 0.00 H new ATOM 1752 N ALA A 114 -9.124 4.481 -3.955 1.00 0.00 N ATOM 1753 CA ALA A 114 -8.240 4.932 -2.850 1.00 0.00 C ATOM 1754 C ALA A 114 -8.605 6.337 -2.370 1.00 0.00 C ATOM 1755 O ALA A 114 -8.395 6.675 -1.222 1.00 0.00 O ATOM 1756 CB ALA A 114 -6.831 4.908 -3.440 1.00 0.00 C ATOM 0 H ALA A 114 -8.718 4.543 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.335 4.289 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.114 5.229 -2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.589 3.895 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.783 5.582 -4.295 1.00 0.00 H new ATOM 1762 N VAL A 115 -9.138 7.165 -3.219 1.00 0.00 N ATOM 1763 CA VAL A 115 -9.488 8.541 -2.757 1.00 0.00 C ATOM 1764 C VAL A 115 -11.003 8.755 -2.804 1.00 0.00 C ATOM 1765 O VAL A 115 -11.519 9.714 -2.266 1.00 0.00 O ATOM 1766 CB VAL A 115 -8.775 9.519 -3.708 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -8.264 10.716 -2.905 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -7.582 8.839 -4.389 1.00 0.00 C ATOM 0 H VAL A 115 -9.345 6.959 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.173 8.699 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 115 -9.484 9.842 -4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -7.758 11.413 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -9.104 11.218 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.565 10.371 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -7.092 9.547 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.873 8.504 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -7.931 7.981 -4.963 1.00 0.00 H new ATOM 1778 N LEU A 116 -11.718 7.875 -3.447 1.00 0.00 N ATOM 1779 CA LEU A 116 -13.196 8.038 -3.530 1.00 0.00 C ATOM 1780 C LEU A 116 -13.891 7.255 -2.411 1.00 0.00 C ATOM 1781 O LEU A 116 -14.967 7.611 -1.972 1.00 0.00 O ATOM 1782 CB LEU A 116 -13.577 7.474 -4.897 1.00 0.00 C ATOM 1783 CG LEU A 116 -15.097 7.489 -5.046 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -15.498 8.576 -6.043 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -15.571 6.128 -5.558 1.00 0.00 C ATOM 0 H LEU A 116 -11.344 7.051 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.500 9.078 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -13.117 8.066 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.200 6.456 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 116 -15.557 7.694 -4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -16.583 8.589 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -15.158 9.546 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -15.040 8.370 -7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.656 6.137 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -15.113 5.924 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -15.283 5.352 -4.849 1.00 0.00 H new