USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 591 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 63 THR OG1 : rot -70:sc= 1.16 USER MOD Set 1.2: A 94 SER OG : rot -4:sc= 2.01 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 66 ASN : amide:sc= -8.78! C(o=-8.6!,f=-4.4!) USER MOD Set 3.2: A 88 GLN : amide:sc= 0.173 K(o=-8.6,f=-6.2) USER MOD Set 4.1: A 17 LYS NZ :NH3+ -169:sc= -4.43! (180deg=-4.99!) USER MOD Set 4.2: A 85 THR OG1 : rot -61:sc= 0.933 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.28) USER MOD Single : A 46 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-1.4) USER MOD Single : A 53 SER OG : rot -59:sc= -0.269 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot -120:sc= -3.51! USER MOD Single : A 79 GLN : amide:sc=-0.00761 K(o=-0.0076,f=-0.63) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 103 N ARG A 11 3.558 1.753 -10.533 1.00 0.00 N ATOM 104 CA ARG A 11 4.028 0.385 -10.355 1.00 0.00 C ATOM 105 C ARG A 11 2.868 -0.549 -10.019 1.00 0.00 C ATOM 106 O ARG A 11 1.920 -0.156 -9.340 1.00 0.00 O ATOM 107 CB ARG A 11 5.082 0.325 -9.248 1.00 0.00 C ATOM 108 CG ARG A 11 5.742 -1.037 -9.108 1.00 0.00 C ATOM 109 CD ARG A 11 6.627 -1.352 -10.304 1.00 0.00 C ATOM 110 NE ARG A 11 7.112 -2.729 -10.279 1.00 0.00 N ATOM 111 CZ ARG A 11 7.839 -3.270 -11.250 1.00 0.00 C ATOM 112 NH1 ARG A 11 8.164 -2.554 -12.317 1.00 0.00 N ATOM 113 NH2 ARG A 11 8.243 -4.531 -11.154 1.00 0.00 N ATOM 0 HA ARG A 11 4.477 0.057 -11.293 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.850 1.072 -9.448 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.616 0.593 -8.300 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.338 -1.062 -8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.976 -1.806 -9.008 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.067 -1.182 -11.224 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.476 -0.669 -10.316 1.00 0.00 H new ATOM 0 HE ARG A 11 6.880 -3.307 -9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.856 -1.585 -12.394 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.722 -2.972 -13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.995 -5.085 -10.334 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.801 -4.946 -11.900 1.00 0.00 H new ATOM 127 N GLU A 12 2.952 -1.785 -10.499 1.00 0.00 N ATOM 128 CA GLU A 12 1.909 -2.773 -10.251 1.00 0.00 C ATOM 129 C GLU A 12 2.511 -4.091 -9.772 1.00 0.00 C ATOM 130 O GLU A 12 3.068 -4.855 -10.561 1.00 0.00 O ATOM 131 CB GLU A 12 1.084 -3.007 -11.518 1.00 0.00 C ATOM 132 CG GLU A 12 -0.069 -3.977 -11.324 1.00 0.00 C ATOM 133 CD GLU A 12 -1.139 -3.833 -12.389 1.00 0.00 C ATOM 134 OE1 GLU A 12 -1.832 -2.794 -12.395 1.00 0.00 O ATOM 135 OE2 GLU A 12 -1.283 -4.758 -13.215 1.00 0.00 O ATOM 0 H GLU A 12 3.731 -2.126 -11.062 1.00 0.00 H new ATOM 0 HA GLU A 12 1.257 -2.386 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.690 -2.052 -11.866 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.739 -3.386 -12.303 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.314 -4.997 -11.335 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.514 -3.814 -10.343 1.00 0.00 H new ATOM 142 N VAL A 13 2.394 -4.352 -8.474 1.00 0.00 N ATOM 143 CA VAL A 13 2.926 -5.577 -7.889 1.00 0.00 C ATOM 144 C VAL A 13 1.809 -6.441 -7.315 1.00 0.00 C ATOM 145 O VAL A 13 1.197 -6.093 -6.304 1.00 0.00 O ATOM 146 CB VAL A 13 3.947 -5.271 -6.777 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.558 -6.558 -6.245 1.00 0.00 C ATOM 148 CG2 VAL A 13 5.027 -4.331 -7.290 1.00 0.00 C ATOM 0 H VAL A 13 1.935 -3.731 -7.807 1.00 0.00 H new ATOM 0 HA VAL A 13 3.426 -6.120 -8.691 1.00 0.00 H new ATOM 0 HB VAL A 13 3.427 -4.777 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.277 -6.322 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.771 -7.193 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.064 -7.082 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.740 -4.125 -6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.546 -4.796 -8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.571 -3.397 -7.618 1.00 0.00 H new ATOM 158 N HIS A 14 1.548 -7.571 -7.965 1.00 0.00 N ATOM 159 CA HIS A 14 0.504 -8.487 -7.519 1.00 0.00 C ATOM 160 C HIS A 14 1.031 -9.424 -6.436 1.00 0.00 C ATOM 161 O HIS A 14 2.214 -9.766 -6.418 1.00 0.00 O ATOM 162 CB HIS A 14 -0.029 -9.300 -8.698 1.00 0.00 C ATOM 163 CG HIS A 14 -0.258 -8.485 -9.933 1.00 0.00 C ATOM 164 ND1 HIS A 14 0.738 -8.202 -10.845 1.00 0.00 N ATOM 165 CD2 HIS A 14 -1.379 -7.891 -10.407 1.00 0.00 C ATOM 166 CE1 HIS A 14 0.240 -7.469 -11.824 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.043 -7.266 -11.583 1.00 0.00 N ATOM 0 H HIS A 14 2.045 -7.874 -8.802 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.309 -7.895 -7.099 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.676 -10.099 -8.926 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.966 -9.775 -8.407 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.356 -7.906 -9.946 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.789 -7.098 -12.677 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.680 -6.732 -12.174 1.00 0.00 H new ATOM 175 N LEU A 15 0.146 -9.834 -5.534 1.00 0.00 N ATOM 176 CA LEU A 15 0.522 -10.731 -4.447 1.00 0.00 C ATOM 177 C LEU A 15 -0.480 -11.873 -4.312 1.00 0.00 C ATOM 178 O LEU A 15 -1.588 -11.805 -4.844 1.00 0.00 O ATOM 179 CB LEU A 15 0.612 -9.959 -3.130 1.00 0.00 C ATOM 180 CG LEU A 15 1.586 -8.780 -3.109 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.277 -7.853 -1.943 1.00 0.00 C ATOM 182 CD2 LEU A 15 3.022 -9.275 -3.033 1.00 0.00 C ATOM 0 H LEU A 15 -0.836 -9.560 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 15 1.499 -11.155 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.382 -9.588 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.899 -10.656 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 15 1.466 -8.218 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.980 -7.020 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.261 -7.470 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.368 -8.403 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.701 -8.422 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.157 -9.861 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.239 -9.897 -3.901 1.00 0.00 H new ATOM 194 N GLU A 16 -0.084 -12.921 -3.596 1.00 0.00 N ATOM 195 CA GLU A 16 -0.949 -14.076 -3.390 1.00 0.00 C ATOM 196 C GLU A 16 -1.051 -14.423 -1.908 1.00 0.00 C ATOM 197 O GLU A 16 -0.105 -14.938 -1.312 1.00 0.00 O ATOM 198 CB GLU A 16 -0.422 -15.281 -4.172 1.00 0.00 C ATOM 199 CG GLU A 16 -0.548 -15.132 -5.679 1.00 0.00 C ATOM 200 CD GLU A 16 0.066 -16.295 -6.434 1.00 0.00 C ATOM 201 OE1 GLU A 16 1.308 -16.334 -6.555 1.00 0.00 O ATOM 202 OE2 GLU A 16 -0.696 -17.166 -6.904 1.00 0.00 O ATOM 0 H GLU A 16 0.830 -12.993 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.944 -13.822 -3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.626 -15.438 -3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.964 -16.173 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.602 -15.047 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.065 -14.206 -5.990 1.00 0.00 H new ATOM 209 N LYS A 17 -2.206 -14.136 -1.317 1.00 0.00 N ATOM 210 CA LYS A 17 -2.434 -14.417 0.095 1.00 0.00 C ATOM 211 C LYS A 17 -3.453 -15.538 0.269 1.00 0.00 C ATOM 212 O LYS A 17 -4.032 -16.020 -0.705 1.00 0.00 O ATOM 213 CB LYS A 17 -2.920 -13.156 0.815 1.00 0.00 C ATOM 214 CG LYS A 17 -4.426 -12.968 0.763 1.00 0.00 C ATOM 215 CD LYS A 17 -4.879 -11.841 1.676 1.00 0.00 C ATOM 216 CE LYS A 17 -4.616 -10.478 1.053 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.677 -9.386 2.063 1.00 0.00 N ATOM 0 H LYS A 17 -2.999 -13.709 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.489 -14.737 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.603 -13.198 1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.438 -12.285 0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.732 -12.753 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.920 -13.895 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.943 -11.947 1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.357 -11.913 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.635 -10.479 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.350 -10.289 0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.679 -8.465 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.545 -9.483 2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.849 -9.446 2.689 1.00 0.00 H new ATOM 231 N ARG A 18 -3.669 -15.948 1.515 1.00 0.00 N ATOM 232 CA ARG A 18 -4.618 -17.013 1.816 1.00 0.00 C ATOM 233 C ARG A 18 -5.875 -16.450 2.473 1.00 0.00 C ATOM 234 O ARG A 18 -5.796 -15.628 3.386 1.00 0.00 O ATOM 235 CB ARG A 18 -3.975 -18.056 2.731 1.00 0.00 C ATOM 236 CG ARG A 18 -2.749 -18.723 2.127 1.00 0.00 C ATOM 237 CD ARG A 18 -2.579 -20.144 2.640 1.00 0.00 C ATOM 238 NE ARG A 18 -1.430 -20.811 2.033 1.00 0.00 N ATOM 239 CZ ARG A 18 -1.204 -22.116 2.127 1.00 0.00 C ATOM 240 NH1 ARG A 18 -2.044 -22.891 2.800 1.00 0.00 N ATOM 241 NH2 ARG A 18 -0.137 -22.650 1.547 1.00 0.00 N ATOM 0 H ARG A 18 -3.199 -15.558 2.332 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.901 -17.489 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.693 -17.579 3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.713 -18.821 2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.838 -18.735 1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.860 -18.139 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.457 -20.126 3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.483 -20.716 2.430 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.765 -20.243 1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.866 -22.485 3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.868 -23.893 2.871 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.511 -22.058 1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.035 -23.653 1.620 1.00 0.00 H new ATOM 255 N ARG A 19 -7.034 -16.899 2.002 1.00 0.00 N ATOM 256 CA ARG A 19 -8.308 -16.439 2.543 1.00 0.00 C ATOM 257 C ARG A 19 -8.251 -16.346 4.064 1.00 0.00 C ATOM 258 O ARG A 19 -8.027 -17.343 4.750 1.00 0.00 O ATOM 259 CB ARG A 19 -9.436 -17.383 2.121 1.00 0.00 C ATOM 260 CG ARG A 19 -10.818 -16.758 2.209 1.00 0.00 C ATOM 261 CD ARG A 19 -11.893 -17.712 1.712 1.00 0.00 C ATOM 262 NE ARG A 19 -12.022 -17.681 0.258 1.00 0.00 N ATOM 263 CZ ARG A 19 -13.091 -18.124 -0.395 1.00 0.00 C ATOM 264 NH1 ARG A 19 -14.119 -18.629 0.274 1.00 0.00 N ATOM 265 NH2 ARG A 19 -13.134 -18.061 -1.720 1.00 0.00 N ATOM 0 H ARG A 19 -7.117 -17.580 1.248 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.506 -15.445 2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.260 -17.711 1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.408 -18.273 2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.027 -16.478 3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.842 -15.842 1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.655 -18.726 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.848 -17.450 2.166 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.249 -17.298 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.090 -18.678 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.938 -18.968 -0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.346 -17.672 -2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.955 -18.401 -2.220 1.00 0.00 H new ATOM 279 N GLY A 20 -8.454 -15.140 4.586 1.00 0.00 N ATOM 280 CA GLY A 20 -8.421 -14.938 6.023 1.00 0.00 C ATOM 281 C GLY A 20 -7.007 -14.846 6.563 1.00 0.00 C ATOM 282 O GLY A 20 -6.763 -15.137 7.733 1.00 0.00 O ATOM 0 H GLY A 20 -8.641 -14.299 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.962 -14.025 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.942 -15.760 6.514 1.00 0.00 H new ATOM 286 N GLU A 21 -6.074 -14.441 5.708 1.00 0.00 N ATOM 287 CA GLU A 21 -4.677 -14.314 6.106 1.00 0.00 C ATOM 288 C GLU A 21 -4.250 -12.849 6.132 1.00 0.00 C ATOM 289 O GLU A 21 -4.064 -12.226 5.087 1.00 0.00 O ATOM 290 CB GLU A 21 -3.778 -15.102 5.151 1.00 0.00 C ATOM 291 CG GLU A 21 -2.301 -15.017 5.497 1.00 0.00 C ATOM 292 CD GLU A 21 -1.894 -16.010 6.568 1.00 0.00 C ATOM 293 OE1 GLU A 21 -1.659 -17.188 6.226 1.00 0.00 O ATOM 294 OE2 GLU A 21 -1.810 -15.609 7.747 1.00 0.00 O ATOM 0 H GLU A 21 -6.260 -14.195 4.736 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.573 -14.723 7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.084 -16.148 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.927 -14.732 4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.710 -15.195 4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.069 -14.007 5.836 1.00 0.00 H new ATOM 301 N GLY A 22 -4.096 -12.305 7.336 1.00 0.00 N ATOM 302 CA GLY A 22 -3.693 -10.918 7.476 1.00 0.00 C ATOM 303 C GLY A 22 -2.680 -10.499 6.429 1.00 0.00 C ATOM 304 O GLY A 22 -1.617 -11.108 6.304 1.00 0.00 O ATOM 0 H GLY A 22 -4.243 -12.800 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.572 -10.278 7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.269 -10.765 8.469 1.00 0.00 H new ATOM 308 N LEU A 23 -3.010 -9.458 5.672 1.00 0.00 N ATOM 309 CA LEU A 23 -2.122 -8.959 4.628 1.00 0.00 C ATOM 310 C LEU A 23 -0.681 -8.895 5.124 1.00 0.00 C ATOM 311 O LEU A 23 0.258 -9.145 4.369 1.00 0.00 O ATOM 312 CB LEU A 23 -2.576 -7.574 4.164 1.00 0.00 C ATOM 313 CG LEU A 23 -2.217 -7.197 2.726 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.511 -5.727 2.471 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.755 -7.508 2.443 1.00 0.00 C ATOM 0 H LEU A 23 -3.886 -8.943 5.762 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.167 -9.650 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.659 -7.512 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.144 -6.829 4.832 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.831 -7.792 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.249 -5.477 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.572 -5.535 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.923 -5.114 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.517 -7.233 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.123 -6.940 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.576 -8.574 2.585 1.00 0.00 H new ATOM 327 N GLY A 24 -0.513 -8.558 6.400 1.00 0.00 N ATOM 328 CA GLY A 24 0.816 -8.469 6.975 1.00 0.00 C ATOM 329 C GLY A 24 1.570 -7.241 6.505 1.00 0.00 C ATOM 330 O GLY A 24 2.634 -7.352 5.897 1.00 0.00 O ATOM 0 H GLY A 24 -1.274 -8.345 7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.738 -8.449 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.383 -9.362 6.712 1.00 0.00 H new ATOM 334 N VAL A 25 1.016 -6.065 6.786 1.00 0.00 N ATOM 335 CA VAL A 25 1.643 -4.811 6.387 1.00 0.00 C ATOM 336 C VAL A 25 1.402 -3.722 7.427 1.00 0.00 C ATOM 337 O VAL A 25 0.263 -3.456 7.810 1.00 0.00 O ATOM 338 CB VAL A 25 1.116 -4.329 5.023 1.00 0.00 C ATOM 339 CG1 VAL A 25 1.841 -5.038 3.889 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.386 -4.547 4.925 1.00 0.00 C ATOM 0 H VAL A 25 0.135 -5.955 7.288 1.00 0.00 H new ATOM 0 HA VAL A 25 2.713 -5.003 6.307 1.00 0.00 H new ATOM 0 HB VAL A 25 1.311 -3.260 4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.455 -4.684 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.908 -4.825 3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.680 -6.113 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.741 -4.201 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.608 -5.609 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.887 -3.988 5.715 1.00 0.00 H new ATOM 350 N ALA A 26 2.482 -3.094 7.879 1.00 0.00 N ATOM 351 CA ALA A 26 2.389 -2.031 8.872 1.00 0.00 C ATOM 352 C ALA A 26 2.590 -0.662 8.232 1.00 0.00 C ATOM 353 O ALA A 26 3.699 -0.313 7.823 1.00 0.00 O ATOM 354 CB ALA A 26 3.407 -2.253 9.981 1.00 0.00 C ATOM 0 H ALA A 26 3.432 -3.303 7.573 1.00 0.00 H new ATOM 0 HA ALA A 26 1.388 -2.057 9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.326 -1.451 10.715 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.214 -3.210 10.466 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.411 -2.257 9.558 1.00 0.00 H new ATOM 360 N LEU A 27 1.513 0.111 8.148 1.00 0.00 N ATOM 361 CA LEU A 27 1.572 1.443 7.556 1.00 0.00 C ATOM 362 C LEU A 27 1.520 2.521 8.635 1.00 0.00 C ATOM 363 O LEU A 27 1.302 2.227 9.810 1.00 0.00 O ATOM 364 CB LEU A 27 0.418 1.636 6.571 1.00 0.00 C ATOM 365 CG LEU A 27 0.335 0.625 5.427 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.108 0.430 4.990 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.194 1.075 4.254 1.00 0.00 C ATOM 0 H LEU A 27 0.589 -0.161 8.482 1.00 0.00 H new ATOM 0 HA LEU A 27 2.517 1.535 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.518 1.602 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.497 2.635 6.141 1.00 0.00 H new ATOM 0 HG LEU A 27 0.716 -0.331 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.147 -0.293 4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.696 0.061 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.517 1.382 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.123 0.343 3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.843 2.043 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.232 1.161 4.575 1.00 0.00 H new ATOM 379 N VAL A 28 1.720 3.770 8.226 1.00 0.00 N ATOM 380 CA VAL A 28 1.693 4.892 9.157 1.00 0.00 C ATOM 381 C VAL A 28 1.236 6.170 8.463 1.00 0.00 C ATOM 382 O VAL A 28 0.889 6.157 7.283 1.00 0.00 O ATOM 383 CB VAL A 28 3.078 5.131 9.788 1.00 0.00 C ATOM 384 CG1 VAL A 28 3.371 4.078 10.846 1.00 0.00 C ATOM 385 CG2 VAL A 28 4.158 5.137 8.717 1.00 0.00 C ATOM 0 H VAL A 28 1.902 4.030 7.257 1.00 0.00 H new ATOM 0 HA VAL A 28 0.983 4.635 9.943 1.00 0.00 H new ATOM 0 HB VAL A 28 3.074 6.108 10.272 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.353 4.263 11.281 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.613 4.127 11.628 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.357 3.089 10.388 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.130 5.307 9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.165 4.176 8.202 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.954 5.932 7.999 1.00 0.00 H new ATOM 395 N GLU A 29 1.238 7.273 9.205 1.00 0.00 N ATOM 396 CA GLU A 29 0.823 8.560 8.661 1.00 0.00 C ATOM 397 C GLU A 29 2.020 9.330 8.111 1.00 0.00 C ATOM 398 O GLU A 29 3.064 9.421 8.758 1.00 0.00 O ATOM 399 CB GLU A 29 0.119 9.391 9.736 1.00 0.00 C ATOM 400 CG GLU A 29 -0.990 8.641 10.455 1.00 0.00 C ATOM 401 CD GLU A 29 -0.491 7.890 11.674 1.00 0.00 C ATOM 402 OE1 GLU A 29 0.712 7.556 11.713 1.00 0.00 O ATOM 403 OE2 GLU A 29 -1.302 7.637 12.589 1.00 0.00 O ATOM 0 H GLU A 29 1.522 7.301 10.184 1.00 0.00 H new ATOM 0 HA GLU A 29 0.127 8.372 7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.856 9.722 10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.298 10.287 9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.763 9.347 10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.455 7.937 9.764 1.00 0.00 H new ATOM 522 N THR A 38 0.071 10.403 2.875 1.00 0.00 N ATOM 523 CA THR A 38 0.288 9.300 1.947 1.00 0.00 C ATOM 524 C THR A 38 0.438 7.978 2.691 1.00 0.00 C ATOM 525 O THR A 38 0.754 7.956 3.880 1.00 0.00 O ATOM 526 CB THR A 38 1.539 9.533 1.080 1.00 0.00 C ATOM 527 OG1 THR A 38 2.721 9.369 1.871 1.00 0.00 O ATOM 528 CG2 THR A 38 1.521 10.925 0.467 1.00 0.00 C ATOM 0 HA THR A 38 -0.589 9.253 1.301 1.00 0.00 H new ATOM 0 HB THR A 38 1.537 8.799 0.274 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.512 9.517 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.415 11.066 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.635 11.036 -0.158 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.500 11.672 1.261 1.00 0.00 H new ATOM 536 N ALA A 39 0.210 6.876 1.982 1.00 0.00 N ATOM 537 CA ALA A 39 0.323 5.550 2.575 1.00 0.00 C ATOM 538 C ALA A 39 1.761 5.046 2.524 1.00 0.00 C ATOM 539 O ALA A 39 2.253 4.647 1.469 1.00 0.00 O ATOM 540 CB ALA A 39 -0.606 4.574 1.866 1.00 0.00 C ATOM 0 H ALA A 39 -0.054 6.877 0.997 1.00 0.00 H new ATOM 0 HA ALA A 39 0.028 5.621 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.511 3.587 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.636 4.919 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.337 4.516 0.811 1.00 0.00 H new ATOM 546 N VAL A 40 2.432 5.068 3.672 1.00 0.00 N ATOM 547 CA VAL A 40 3.814 4.613 3.758 1.00 0.00 C ATOM 548 C VAL A 40 3.937 3.398 4.670 1.00 0.00 C ATOM 549 O VAL A 40 3.314 3.340 5.731 1.00 0.00 O ATOM 550 CB VAL A 40 4.741 5.728 4.279 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.197 5.298 4.187 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.507 7.018 3.507 1.00 0.00 C ATOM 0 H VAL A 40 2.040 5.396 4.555 1.00 0.00 H new ATOM 0 HA VAL A 40 4.120 4.338 2.748 1.00 0.00 H new ATOM 0 HB VAL A 40 4.507 5.911 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.837 6.098 4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.350 4.401 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.449 5.086 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.170 7.795 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.713 6.852 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.471 7.333 3.630 1.00 0.00 H new ATOM 562 N ILE A 41 4.744 2.429 4.251 1.00 0.00 N ATOM 563 CA ILE A 41 4.950 1.216 5.032 1.00 0.00 C ATOM 564 C ILE A 41 5.956 1.448 6.154 1.00 0.00 C ATOM 565 O ILE A 41 7.146 1.639 5.905 1.00 0.00 O ATOM 566 CB ILE A 41 5.443 0.055 4.148 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.530 -0.113 2.932 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.505 -1.235 4.952 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.078 -1.063 1.890 1.00 0.00 C ATOM 0 H ILE A 41 5.266 2.461 3.375 1.00 0.00 H new ATOM 0 HA ILE A 41 3.985 0.950 5.463 1.00 0.00 H new ATOM 0 HB ILE A 41 6.448 0.289 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.557 -0.475 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.367 0.862 2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.855 -2.046 4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.192 -1.110 5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.512 -1.475 5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.378 -1.133 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.037 -0.692 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.214 -2.050 2.333 1.00 0.00 H new ATOM 581 N ALA A 42 5.470 1.427 7.390 1.00 0.00 N ATOM 582 CA ALA A 42 6.327 1.631 8.552 1.00 0.00 C ATOM 583 C ALA A 42 7.116 0.369 8.880 1.00 0.00 C ATOM 584 O ALA A 42 8.306 0.432 9.188 1.00 0.00 O ATOM 585 CB ALA A 42 5.496 2.063 9.751 1.00 0.00 C ATOM 0 H ALA A 42 4.487 1.271 7.613 1.00 0.00 H new ATOM 0 HA ALA A 42 7.039 2.421 8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.149 2.212 10.611 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.982 2.996 9.520 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.762 1.291 9.982 1.00 0.00 H new ATOM 591 N ASN A 43 6.446 -0.777 8.813 1.00 0.00 N ATOM 592 CA ASN A 43 7.086 -2.055 9.105 1.00 0.00 C ATOM 593 C ASN A 43 6.419 -3.187 8.330 1.00 0.00 C ATOM 594 O ASN A 43 5.263 -3.076 7.919 1.00 0.00 O ATOM 595 CB ASN A 43 7.028 -2.347 10.606 1.00 0.00 C ATOM 596 CG ASN A 43 7.927 -3.501 11.005 1.00 0.00 C ATOM 597 OD1 ASN A 43 7.481 -4.644 11.107 1.00 0.00 O ATOM 598 ND2 ASN A 43 9.202 -3.206 11.235 1.00 0.00 N ATOM 0 H ASN A 43 5.461 -0.847 8.559 1.00 0.00 H new ATOM 0 HA ASN A 43 8.129 -1.990 8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.320 -1.454 11.159 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.001 -2.575 10.890 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.854 -3.941 11.508 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.528 -2.244 11.138 1.00 0.00 H new ATOM 605 N LEU A 44 7.154 -4.275 8.133 1.00 0.00 N ATOM 606 CA LEU A 44 6.635 -5.429 7.408 1.00 0.00 C ATOM 607 C LEU A 44 7.012 -6.730 8.110 1.00 0.00 C ATOM 608 O LEU A 44 8.107 -6.855 8.661 1.00 0.00 O ATOM 609 CB LEU A 44 7.168 -5.437 5.974 1.00 0.00 C ATOM 610 CG LEU A 44 6.753 -4.255 5.097 1.00 0.00 C ATOM 611 CD1 LEU A 44 7.353 -4.386 3.706 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.237 -4.155 5.019 1.00 0.00 C ATOM 0 H LEU A 44 8.112 -4.383 8.465 1.00 0.00 H new ATOM 0 HA LEU A 44 5.548 -5.353 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.257 -5.470 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.838 -6.356 5.490 1.00 0.00 H new ATOM 0 HG LEU A 44 7.134 -3.340 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.047 -3.536 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.440 -4.407 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.003 -5.309 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.960 -3.308 4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.833 -5.072 4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.830 -4.013 6.020 1.00 0.00 H new ATOM 624 N LEU A 45 6.101 -7.696 8.084 1.00 0.00 N ATOM 625 CA LEU A 45 6.339 -8.989 8.716 1.00 0.00 C ATOM 626 C LEU A 45 7.046 -9.942 7.757 1.00 0.00 C ATOM 627 O LEU A 45 6.418 -10.533 6.878 1.00 0.00 O ATOM 628 CB LEU A 45 5.017 -9.602 9.181 1.00 0.00 C ATOM 629 CG LEU A 45 5.127 -10.759 10.175 1.00 0.00 C ATOM 630 CD1 LEU A 45 3.790 -11.008 10.855 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.613 -12.020 9.474 1.00 0.00 C ATOM 0 H LEU A 45 5.191 -7.609 7.632 1.00 0.00 H new ATOM 0 HA LEU A 45 6.983 -8.830 9.581 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.414 -8.815 9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.474 -9.953 8.304 1.00 0.00 H new ATOM 0 HG LEU A 45 5.855 -10.488 10.939 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.888 -11.835 11.559 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.481 -10.110 11.391 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.041 -11.258 10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.685 -12.833 10.196 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.909 -12.294 8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.593 -11.837 9.034 1.00 0.00 H new ATOM 643 N HIS A 46 8.355 -10.088 7.934 1.00 0.00 N ATOM 644 CA HIS A 46 9.147 -10.972 7.086 1.00 0.00 C ATOM 645 C HIS A 46 8.491 -12.345 6.970 1.00 0.00 C ATOM 646 O HIS A 46 8.627 -13.187 7.857 1.00 0.00 O ATOM 647 CB HIS A 46 10.563 -11.117 7.645 1.00 0.00 C ATOM 648 CG HIS A 46 11.471 -9.985 7.276 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.217 -9.128 6.227 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.636 -9.570 7.825 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.188 -8.235 6.144 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.062 -8.481 7.104 1.00 0.00 N ATOM 0 H HIS A 46 8.890 -9.606 8.657 1.00 0.00 H new ATOM 0 HA HIS A 46 9.200 -10.528 6.092 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.510 -11.190 8.731 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.994 -12.050 7.283 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.138 -10.013 8.673 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.255 -7.440 5.416 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.914 -7.949 7.281 1.00 0.00 H new ATOM 660 N GLY A 47 7.777 -12.563 5.870 1.00 0.00 N ATOM 661 CA GLY A 47 7.109 -13.834 5.658 1.00 0.00 C ATOM 662 C GLY A 47 5.680 -13.666 5.182 1.00 0.00 C ATOM 663 O GLY A 47 5.037 -14.632 4.772 1.00 0.00 O ATOM 0 H GLY A 47 7.649 -11.882 5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.667 -14.416 4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.114 -14.403 6.588 1.00 0.00 H new ATOM 667 N GLY A 48 5.180 -12.436 5.237 1.00 0.00 N ATOM 668 CA GLY A 48 3.820 -12.168 4.807 1.00 0.00 C ATOM 669 C GLY A 48 3.649 -12.304 3.307 1.00 0.00 C ATOM 670 O GLY A 48 4.616 -12.469 2.563 1.00 0.00 O ATOM 0 H GLY A 48 5.692 -11.620 5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.141 -12.856 5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.538 -11.160 5.112 1.00 0.00 H new ATOM 674 N PRO A 49 2.392 -12.238 2.843 1.00 0.00 N ATOM 675 CA PRO A 49 2.068 -12.354 1.418 1.00 0.00 C ATOM 676 C PRO A 49 2.532 -11.143 0.617 1.00 0.00 C ATOM 677 O PRO A 49 2.745 -11.231 -0.592 1.00 0.00 O ATOM 678 CB PRO A 49 0.540 -12.448 1.408 1.00 0.00 C ATOM 679 CG PRO A 49 0.111 -11.769 2.663 1.00 0.00 C ATOM 680 CD PRO A 49 1.191 -12.044 3.672 1.00 0.00 C ATOM 0 HA PRO A 49 2.565 -13.207 0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.119 -11.959 0.529 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.207 -13.486 1.386 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.012 -10.698 2.505 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.850 -12.153 3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.313 -11.213 4.367 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.968 -12.928 4.269 1.00 0.00 H new ATOM 688 N ALA A 50 2.688 -10.013 1.299 1.00 0.00 N ATOM 689 CA ALA A 50 3.130 -8.784 0.650 1.00 0.00 C ATOM 690 C ALA A 50 4.645 -8.630 0.741 1.00 0.00 C ATOM 691 O ALA A 50 5.273 -8.057 -0.149 1.00 0.00 O ATOM 692 CB ALA A 50 2.437 -7.581 1.272 1.00 0.00 C ATOM 0 H ALA A 50 2.515 -9.923 2.300 1.00 0.00 H new ATOM 0 HA ALA A 50 2.859 -8.841 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.776 -6.670 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.358 -7.680 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.679 -7.530 2.333 1.00 0.00 H new ATOM 698 N GLU A 51 5.224 -9.144 1.821 1.00 0.00 N ATOM 699 CA GLU A 51 6.665 -9.061 2.027 1.00 0.00 C ATOM 700 C GLU A 51 7.386 -10.184 1.286 1.00 0.00 C ATOM 701 O GLU A 51 8.457 -9.977 0.715 1.00 0.00 O ATOM 702 CB GLU A 51 6.994 -9.126 3.520 1.00 0.00 C ATOM 703 CG GLU A 51 8.473 -8.958 3.825 1.00 0.00 C ATOM 704 CD GLU A 51 9.026 -7.638 3.324 1.00 0.00 C ATOM 705 OE1 GLU A 51 9.373 -7.557 2.128 1.00 0.00 O ATOM 706 OE2 GLU A 51 9.110 -6.686 4.129 1.00 0.00 O ATOM 0 H GLU A 51 4.718 -9.622 2.566 1.00 0.00 H new ATOM 0 HA GLU A 51 7.009 -8.107 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.434 -8.350 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.656 -10.083 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.628 -9.027 4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.029 -9.777 3.369 1.00 0.00 H new ATOM 713 N ARG A 52 6.791 -11.372 1.301 1.00 0.00 N ATOM 714 CA ARG A 52 7.377 -12.528 0.633 1.00 0.00 C ATOM 715 C ARG A 52 7.937 -12.141 -0.732 1.00 0.00 C ATOM 716 O ARG A 52 9.027 -12.570 -1.111 1.00 0.00 O ATOM 717 CB ARG A 52 6.332 -13.634 0.473 1.00 0.00 C ATOM 718 CG ARG A 52 5.147 -13.232 -0.390 1.00 0.00 C ATOM 719 CD ARG A 52 4.133 -14.360 -0.503 1.00 0.00 C ATOM 720 NE ARG A 52 4.513 -15.338 -1.518 1.00 0.00 N ATOM 721 CZ ARG A 52 5.313 -16.371 -1.280 1.00 0.00 C ATOM 722 NH1 ARG A 52 5.814 -16.560 -0.068 1.00 0.00 N ATOM 723 NH2 ARG A 52 5.612 -17.219 -2.257 1.00 0.00 N ATOM 0 H ARG A 52 5.904 -11.559 1.768 1.00 0.00 H new ATOM 0 HA ARG A 52 8.196 -12.897 1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.808 -14.512 0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.970 -13.926 1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.667 -12.351 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.497 -12.955 -1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.036 -14.858 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.155 -13.945 -0.748 1.00 0.00 H new ATOM 0 HE ARG A 52 4.144 -15.222 -2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.585 -15.911 0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.428 -17.354 0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.227 -17.077 -3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.227 -18.012 -2.074 1.00 0.00 H new ATOM 737 N SER A 53 7.184 -11.328 -1.466 1.00 0.00 N ATOM 738 CA SER A 53 7.603 -10.886 -2.791 1.00 0.00 C ATOM 739 C SER A 53 9.069 -10.463 -2.784 1.00 0.00 C ATOM 740 O SER A 53 9.831 -10.809 -3.685 1.00 0.00 O ATOM 741 CB SER A 53 6.727 -9.725 -3.266 1.00 0.00 C ATOM 742 OG SER A 53 7.089 -8.517 -2.621 1.00 0.00 O ATOM 0 H SER A 53 6.281 -10.962 -1.166 1.00 0.00 H new ATOM 0 HA SER A 53 7.488 -11.723 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.826 -9.609 -4.345 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.680 -9.949 -3.064 1.00 0.00 H new ATOM 0 HG SER A 53 6.992 -8.622 -1.651 1.00 0.00 H new ATOM 748 N GLY A 54 9.456 -9.709 -1.759 1.00 0.00 N ATOM 749 CA GLY A 54 10.828 -9.249 -1.653 1.00 0.00 C ATOM 750 C GLY A 54 11.027 -7.872 -2.254 1.00 0.00 C ATOM 751 O GLY A 54 11.838 -7.086 -1.767 1.00 0.00 O ATOM 0 H GLY A 54 8.844 -9.409 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.121 -9.229 -0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.486 -9.959 -2.154 1.00 0.00 H new ATOM 755 N ALA A 55 10.285 -7.580 -3.318 1.00 0.00 N ATOM 756 CA ALA A 55 10.383 -6.289 -3.986 1.00 0.00 C ATOM 757 C ALA A 55 9.766 -5.183 -3.137 1.00 0.00 C ATOM 758 O ALA A 55 10.209 -4.034 -3.178 1.00 0.00 O ATOM 759 CB ALA A 55 9.710 -6.348 -5.349 1.00 0.00 C ATOM 0 H ALA A 55 9.610 -8.221 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 55 11.439 -6.058 -4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.791 -5.377 -5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.198 -7.104 -5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.658 -6.605 -5.225 1.00 0.00 H new ATOM 765 N LEU A 56 8.742 -5.535 -2.368 1.00 0.00 N ATOM 766 CA LEU A 56 8.064 -4.571 -1.508 1.00 0.00 C ATOM 767 C LEU A 56 8.707 -4.527 -0.126 1.00 0.00 C ATOM 768 O LEU A 56 8.653 -5.500 0.626 1.00 0.00 O ATOM 769 CB LEU A 56 6.581 -4.926 -1.383 1.00 0.00 C ATOM 770 CG LEU A 56 5.876 -5.332 -2.677 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.747 -6.309 -2.386 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.348 -4.105 -3.405 1.00 0.00 C ATOM 0 H LEU A 56 8.363 -6.481 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 56 8.159 -3.585 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.483 -5.743 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.057 -4.068 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 56 6.601 -5.828 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.257 -6.587 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.152 -7.202 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.022 -5.840 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.849 -4.414 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.638 -3.580 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.178 -3.441 -3.648 1.00 0.00 H new ATOM 784 N SER A 57 9.313 -3.391 0.203 1.00 0.00 N ATOM 785 CA SER A 57 9.968 -3.220 1.495 1.00 0.00 C ATOM 786 C SER A 57 9.541 -1.911 2.152 1.00 0.00 C ATOM 787 O SER A 57 8.924 -1.057 1.515 1.00 0.00 O ATOM 788 CB SER A 57 11.488 -3.248 1.327 1.00 0.00 C ATOM 789 OG SER A 57 11.914 -2.281 0.383 1.00 0.00 O ATOM 0 H SER A 57 9.364 -2.575 -0.407 1.00 0.00 H new ATOM 0 HA SER A 57 9.666 -4.045 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.967 -3.059 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.803 -4.240 1.004 1.00 0.00 H new ATOM 0 HG SER A 57 12.889 -2.318 0.295 1.00 0.00 H new ATOM 795 N ILE A 58 9.873 -1.762 3.430 1.00 0.00 N ATOM 796 CA ILE A 58 9.525 -0.558 4.173 1.00 0.00 C ATOM 797 C ILE A 58 9.891 0.698 3.389 1.00 0.00 C ATOM 798 O ILE A 58 10.992 0.806 2.849 1.00 0.00 O ATOM 799 CB ILE A 58 10.229 -0.518 5.542 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.857 -1.751 6.368 1.00 0.00 C ATOM 801 CG2 ILE A 58 9.864 0.756 6.289 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.938 -2.180 7.335 1.00 0.00 C ATOM 0 H ILE A 58 10.382 -2.460 3.972 1.00 0.00 H new ATOM 0 HA ILE A 58 8.446 -0.585 4.329 1.00 0.00 H new ATOM 0 HB ILE A 58 11.307 -0.524 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.944 -1.543 6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.636 -2.578 5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.370 0.769 7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.175 1.622 5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.786 0.791 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.605 -3.059 7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.846 -2.421 6.782 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.143 -1.370 8.034 1.00 0.00 H new ATOM 814 N GLY A 59 8.961 1.646 3.331 1.00 0.00 N ATOM 815 CA GLY A 59 9.206 2.883 2.612 1.00 0.00 C ATOM 816 C GLY A 59 8.262 3.069 1.441 1.00 0.00 C ATOM 817 O GLY A 59 7.598 4.099 1.327 1.00 0.00 O ATOM 0 H GLY A 59 8.042 1.580 3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.101 3.725 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.234 2.892 2.251 1.00 0.00 H new ATOM 821 N ASP A 60 8.202 2.070 0.567 1.00 0.00 N ATOM 822 CA ASP A 60 7.333 2.128 -0.603 1.00 0.00 C ATOM 823 C ASP A 60 5.987 2.754 -0.249 1.00 0.00 C ATOM 824 O ASP A 60 5.332 2.340 0.707 1.00 0.00 O ATOM 825 CB ASP A 60 7.123 0.727 -1.179 1.00 0.00 C ATOM 826 CG ASP A 60 8.423 0.076 -1.606 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.418 0.191 -0.859 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.446 -0.550 -2.686 1.00 0.00 O ATOM 0 H ASP A 60 8.745 1.210 0.647 1.00 0.00 H new ATOM 0 HA ASP A 60 7.817 2.752 -1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.634 0.100 -0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.451 0.786 -2.035 1.00 0.00 H new ATOM 833 N ARG A 61 5.582 3.753 -1.026 1.00 0.00 N ATOM 834 CA ARG A 61 4.316 4.437 -0.793 1.00 0.00 C ATOM 835 C ARG A 61 3.207 3.835 -1.652 1.00 0.00 C ATOM 836 O ARG A 61 3.383 3.621 -2.852 1.00 0.00 O ATOM 837 CB ARG A 61 4.455 5.930 -1.095 1.00 0.00 C ATOM 838 CG ARG A 61 3.204 6.734 -0.782 1.00 0.00 C ATOM 839 CD ARG A 61 2.271 6.803 -1.981 1.00 0.00 C ATOM 840 NE ARG A 61 0.984 7.402 -1.639 1.00 0.00 N ATOM 841 CZ ARG A 61 0.192 7.995 -2.525 1.00 0.00 C ATOM 842 NH1 ARG A 61 0.553 8.067 -3.799 1.00 0.00 N ATOM 843 NH2 ARG A 61 -0.965 8.517 -2.138 1.00 0.00 N ATOM 0 H ARG A 61 6.112 4.107 -1.822 1.00 0.00 H new ATOM 0 HA ARG A 61 4.050 4.309 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.289 6.332 -0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.704 6.057 -2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.682 6.282 0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.485 7.743 -0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.742 7.384 -2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.111 5.799 -2.374 1.00 0.00 H new ATOM 0 HE ARG A 61 0.677 7.363 -0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.441 7.666 -4.101 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.057 8.523 -4.477 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.247 8.463 -1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.572 8.972 -2.819 1.00 0.00 H new ATOM 857 N LEU A 62 2.065 3.564 -1.029 1.00 0.00 N ATOM 858 CA LEU A 62 0.927 2.986 -1.735 1.00 0.00 C ATOM 859 C LEU A 62 -0.086 4.063 -2.108 1.00 0.00 C ATOM 860 O LEU A 62 -0.321 5.001 -1.345 1.00 0.00 O ATOM 861 CB LEU A 62 0.257 1.916 -0.873 1.00 0.00 C ATOM 862 CG LEU A 62 -0.942 1.203 -1.499 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.114 -0.183 -0.897 1.00 0.00 C ATOM 864 CD2 LEU A 62 -2.208 2.027 -1.315 1.00 0.00 C ATOM 0 H LEU A 62 1.903 3.735 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 62 1.295 2.526 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.005 1.167 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.067 2.379 0.059 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.756 1.092 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.972 -0.675 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.217 -0.774 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.277 -0.095 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.051 1.504 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.398 2.170 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.083 2.998 -1.795 1.00 0.00 H new ATOM 876 N THR A 63 -0.686 3.922 -3.286 1.00 0.00 N ATOM 877 CA THR A 63 -1.675 4.882 -3.760 1.00 0.00 C ATOM 878 C THR A 63 -3.055 4.242 -3.868 1.00 0.00 C ATOM 879 O THR A 63 -4.063 4.855 -3.517 1.00 0.00 O ATOM 880 CB THR A 63 -1.283 5.463 -5.131 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.828 4.654 -6.180 1.00 0.00 O ATOM 882 CG2 THR A 63 0.230 5.536 -5.275 1.00 0.00 C ATOM 0 H THR A 63 -0.504 3.152 -3.929 1.00 0.00 H new ATOM 0 HA THR A 63 -1.707 5.689 -3.028 1.00 0.00 H new ATOM 0 HB THR A 63 -1.689 6.472 -5.203 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.358 3.794 -6.208 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.483 5.949 -6.251 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.639 6.175 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.653 4.535 -5.184 1.00 0.00 H new ATOM 890 N ALA A 64 -3.092 3.006 -4.354 1.00 0.00 N ATOM 891 CA ALA A 64 -4.348 2.282 -4.505 1.00 0.00 C ATOM 892 C ALA A 64 -4.162 0.795 -4.223 1.00 0.00 C ATOM 893 O ALA A 64 -3.041 0.287 -4.235 1.00 0.00 O ATOM 894 CB ALA A 64 -4.912 2.489 -5.903 1.00 0.00 C ATOM 0 H ALA A 64 -2.267 2.485 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.056 2.678 -3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.850 1.943 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.092 3.551 -6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.199 2.122 -6.641 1.00 0.00 H new ATOM 900 N ILE A 65 -5.268 0.103 -3.968 1.00 0.00 N ATOM 901 CA ILE A 65 -5.225 -1.326 -3.684 1.00 0.00 C ATOM 902 C ILE A 65 -6.033 -2.115 -4.709 1.00 0.00 C ATOM 903 O ILE A 65 -7.261 -2.146 -4.655 1.00 0.00 O ATOM 904 CB ILE A 65 -5.764 -1.636 -2.274 1.00 0.00 C ATOM 905 CG1 ILE A 65 -5.027 -0.797 -1.228 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.623 -3.119 -1.968 1.00 0.00 C ATOM 907 CD1 ILE A 65 -5.680 -0.823 0.136 1.00 0.00 C ATOM 0 H ILE A 65 -6.204 0.509 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.179 -1.627 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.822 -1.378 -2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.003 -1.160 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.971 0.235 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.008 -3.323 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.188 -3.697 -2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.572 -3.402 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.104 -0.207 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.695 -0.432 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.712 -1.848 0.504 1.00 0.00 H new ATOM 919 N ASN A 66 -5.333 -2.753 -5.641 1.00 0.00 N ATOM 920 CA ASN A 66 -5.985 -3.544 -6.679 1.00 0.00 C ATOM 921 C ASN A 66 -7.159 -2.783 -7.286 1.00 0.00 C ATOM 922 O ASN A 66 -8.106 -3.382 -7.793 1.00 0.00 O ATOM 923 CB ASN A 66 -6.470 -4.877 -6.104 1.00 0.00 C ATOM 924 CG ASN A 66 -7.800 -4.748 -5.388 1.00 0.00 C ATOM 925 OD1 ASN A 66 -8.861 -4.851 -6.003 1.00 0.00 O ATOM 926 ND2 ASN A 66 -7.748 -4.521 -4.080 1.00 0.00 N ATOM 0 H ASN A 66 -4.315 -2.738 -5.699 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.255 -3.738 -7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.564 -5.605 -6.910 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.723 -5.264 -5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.611 -4.425 -3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.845 -4.443 -3.611 1.00 0.00 H new ATOM 933 N GLY A 67 -7.088 -1.456 -7.232 1.00 0.00 N ATOM 934 CA GLY A 67 -8.151 -0.633 -7.781 1.00 0.00 C ATOM 935 C GLY A 67 -8.646 0.407 -6.796 1.00 0.00 C ATOM 936 O GLY A 67 -9.017 1.515 -7.186 1.00 0.00 O ATOM 0 H GLY A 67 -6.314 -0.936 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.792 -0.134 -8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.983 -1.271 -8.080 1.00 0.00 H new ATOM 940 N THR A 68 -8.654 0.051 -5.516 1.00 0.00 N ATOM 941 CA THR A 68 -9.111 0.961 -4.472 1.00 0.00 C ATOM 942 C THR A 68 -8.135 2.117 -4.285 1.00 0.00 C ATOM 943 O THR A 68 -7.147 1.997 -3.560 1.00 0.00 O ATOM 944 CB THR A 68 -9.287 0.230 -3.128 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.184 -0.875 -3.285 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.822 1.177 -2.064 1.00 0.00 C ATOM 0 H THR A 68 -8.349 -0.861 -5.176 1.00 0.00 H new ATOM 0 HA THR A 68 -10.076 1.352 -4.793 1.00 0.00 H new ATOM 0 HB THR A 68 -8.312 -0.137 -2.808 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.289 -1.336 -2.426 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.938 0.639 -1.123 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.123 2.002 -1.926 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.789 1.570 -2.379 1.00 0.00 H new ATOM 954 N SER A 69 -8.417 3.236 -4.944 1.00 0.00 N ATOM 955 CA SER A 69 -7.562 4.413 -4.853 1.00 0.00 C ATOM 956 C SER A 69 -7.662 5.052 -3.471 1.00 0.00 C ATOM 957 O SER A 69 -8.700 5.602 -3.102 1.00 0.00 O ATOM 958 CB SER A 69 -7.945 5.433 -5.927 1.00 0.00 C ATOM 959 OG SER A 69 -8.109 4.808 -7.188 1.00 0.00 O ATOM 0 H SER A 69 -9.231 3.352 -5.547 1.00 0.00 H new ATOM 0 HA SER A 69 -6.532 4.096 -5.014 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.870 5.935 -5.643 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.174 6.201 -5.995 1.00 0.00 H new ATOM 0 HG SER A 69 -8.355 5.481 -7.857 1.00 0.00 H new ATOM 965 N LEU A 70 -6.575 4.974 -2.710 1.00 0.00 N ATOM 966 CA LEU A 70 -6.539 5.543 -1.367 1.00 0.00 C ATOM 967 C LEU A 70 -5.938 6.945 -1.387 1.00 0.00 C ATOM 968 O LEU A 70 -6.308 7.802 -0.584 1.00 0.00 O ATOM 969 CB LEU A 70 -5.730 4.643 -0.432 1.00 0.00 C ATOM 970 CG LEU A 70 -6.181 3.184 -0.350 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.199 2.368 0.478 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.582 3.090 0.237 1.00 0.00 C ATOM 0 H LEU A 70 -5.708 4.523 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.563 5.611 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.688 4.663 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.764 5.070 0.570 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.204 2.774 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.536 1.332 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.213 2.408 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.144 2.778 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.886 2.044 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.586 3.518 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.279 3.640 -0.395 1.00 0.00 H new ATOM 984 N VAL A 71 -5.011 7.173 -2.312 1.00 0.00 N ATOM 985 CA VAL A 71 -4.361 8.473 -2.438 1.00 0.00 C ATOM 986 C VAL A 71 -5.348 9.607 -2.189 1.00 0.00 C ATOM 987 O VAL A 71 -6.192 9.908 -3.033 1.00 0.00 O ATOM 988 CB VAL A 71 -3.732 8.652 -3.833 1.00 0.00 C ATOM 989 CG1 VAL A 71 -4.744 8.326 -4.921 1.00 0.00 C ATOM 990 CG2 VAL A 71 -3.197 10.066 -3.998 1.00 0.00 C ATOM 0 H VAL A 71 -4.693 6.475 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.574 8.508 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.897 7.958 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.282 8.458 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.075 7.293 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.602 8.993 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.756 10.175 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.013 10.779 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.438 10.258 -3.240 1.00 0.00 H new ATOM 1000 N GLY A 72 -5.237 10.236 -1.022 1.00 0.00 N ATOM 1001 CA GLY A 72 -6.126 11.331 -0.682 1.00 0.00 C ATOM 1002 C GLY A 72 -7.050 10.992 0.471 1.00 0.00 C ATOM 1003 O GLY A 72 -8.096 11.618 0.643 1.00 0.00 O ATOM 0 H GLY A 72 -4.547 10.006 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.534 12.209 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.722 11.595 -1.555 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.664 9.996 1.262 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.467 9.573 2.404 1.00 0.00 C ATOM 1009 C LEU A 73 -6.600 9.414 3.650 1.00 0.00 C ATOM 1010 O LEU A 73 -5.389 9.208 3.571 1.00 0.00 O ATOM 1011 CB LEU A 73 -8.177 8.254 2.093 1.00 0.00 C ATOM 1012 CG LEU A 73 -9.428 8.356 1.218 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.779 6.999 0.630 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.596 8.911 2.020 1.00 0.00 C ATOM 0 H LEU A 73 -5.801 9.467 1.134 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.213 10.344 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.467 7.589 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.455 7.783 3.036 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.219 9.042 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.671 7.091 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.949 6.641 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.969 6.291 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.477 8.977 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.806 8.251 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.343 9.904 2.392 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.234 9.511 4.828 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.540 9.379 6.113 1.00 0.00 C ATOM 1028 C PRO A 74 -6.068 7.953 6.373 1.00 0.00 C ATOM 1029 O PRO A 74 -6.671 6.991 5.894 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.606 9.784 7.134 1.00 0.00 C ATOM 1031 CG PRO A 74 -8.904 9.500 6.461 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.676 9.757 4.997 1.00 0.00 C ATOM 0 HA PRO A 74 -5.637 9.989 6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.506 9.214 8.058 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.520 10.838 7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.215 8.470 6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.694 10.141 6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.273 9.091 4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.945 10.777 4.721 1.00 0.00 H new ATOM 1040 N LEU A 75 -4.987 7.822 7.133 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.434 6.511 7.458 1.00 0.00 C ATOM 1042 C LEU A 75 -5.541 5.528 7.823 1.00 0.00 C ATOM 1043 O LEU A 75 -5.538 4.381 7.379 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.438 6.628 8.613 1.00 0.00 C ATOM 1045 CG LEU A 75 -2.927 5.309 9.195 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -1.852 4.712 8.300 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.394 5.519 10.604 1.00 0.00 C ATOM 0 H LEU A 75 -4.475 8.607 7.536 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.916 6.134 6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.581 7.207 8.270 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.907 7.198 9.415 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.761 4.608 9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.500 3.774 8.730 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.266 4.524 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.018 5.409 8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.035 4.570 11.002 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.574 6.236 10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.191 5.901 11.241 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.489 5.987 8.635 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.604 5.149 9.056 1.00 0.00 C ATOM 1061 C ALA A 76 -8.204 4.397 7.873 1.00 0.00 C ATOM 1062 O ALA A 76 -8.421 3.188 7.940 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.669 5.994 9.741 1.00 0.00 C ATOM 0 H ALA A 76 -6.506 6.934 9.014 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.226 4.413 9.766 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.496 5.356 10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.239 6.481 10.616 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.035 6.751 9.047 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.470 5.121 6.791 1.00 0.00 N ATOM 1070 CA ALA A 77 -9.043 4.521 5.592 1.00 0.00 C ATOM 1071 C ALA A 77 -8.180 3.370 5.088 1.00 0.00 C ATOM 1072 O ALA A 77 -8.664 2.252 4.908 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.212 5.572 4.505 1.00 0.00 C ATOM 0 H ALA A 77 -8.298 6.124 6.720 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.023 4.120 5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.641 5.110 3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.876 6.360 4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.240 6.000 4.259 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.902 3.650 4.861 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.971 2.637 4.376 1.00 0.00 C ATOM 1081 C CYS A 78 -5.855 1.485 5.368 1.00 0.00 C ATOM 1082 O CYS A 78 -5.593 0.346 4.983 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.594 3.256 4.130 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.600 4.624 2.949 1.00 0.00 S ATOM 0 H CYS A 78 -6.486 4.570 5.005 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.358 2.244 3.436 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.192 3.611 5.079 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.918 2.481 3.768 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.829 4.333 1.944 1.00 0.00 H new ATOM 1090 N GLN A 79 -6.050 1.791 6.647 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.965 0.781 7.695 1.00 0.00 C ATOM 1092 C GLN A 79 -7.186 -0.133 7.671 1.00 0.00 C ATOM 1093 O GLN A 79 -7.089 -1.322 7.974 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.839 1.447 9.066 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.404 1.745 9.468 1.00 0.00 C ATOM 1096 CD GLN A 79 -4.298 2.334 10.861 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -4.958 3.322 11.182 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.464 1.728 11.699 1.00 0.00 N ATOM 0 H GLN A 79 -6.268 2.730 6.982 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.077 0.176 7.510 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.407 2.377 9.062 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.291 0.800 9.818 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.819 0.826 9.421 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.966 2.439 8.750 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.936 0.911 11.391 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.352 2.079 12.650 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.334 0.431 7.310 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.573 -0.334 7.245 1.00 0.00 C ATOM 1109 C ALA A 80 -9.644 -1.157 5.962 1.00 0.00 C ATOM 1110 O ALA A 80 -10.199 -2.255 5.948 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.773 0.596 7.344 1.00 0.00 C ATOM 0 H ALA A 80 -8.432 1.415 7.058 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.590 -1.023 8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.692 0.011 7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.738 1.136 8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.751 1.308 6.519 1.00 0.00 H new ATOM 1117 N ALA A 81 -9.079 -0.617 4.887 1.00 0.00 N ATOM 1118 CA ALA A 81 -9.078 -1.302 3.600 1.00 0.00 C ATOM 1119 C ALA A 81 -7.978 -2.358 3.542 1.00 0.00 C ATOM 1120 O ALA A 81 -8.198 -3.472 3.066 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.910 -0.299 2.469 1.00 0.00 C ATOM 0 H ALA A 81 -8.616 0.292 4.882 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.037 -1.807 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.911 -0.824 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.733 0.416 2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.966 0.231 2.590 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.794 -2.000 4.028 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.660 -2.916 4.031 1.00 0.00 C ATOM 1129 C VAL A 82 -5.993 -4.199 4.784 1.00 0.00 C ATOM 1130 O VAL A 82 -5.483 -5.272 4.459 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.416 -2.268 4.667 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.603 -2.116 6.169 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.172 -3.086 4.356 1.00 0.00 C ATOM 0 H VAL A 82 -6.595 -1.082 4.425 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.443 -3.155 2.990 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.285 -1.274 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.714 -1.656 6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.470 -1.485 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.759 -3.097 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.302 -2.614 4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.290 -4.093 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.031 -3.138 3.276 1.00 0.00 H new ATOM 1143 N ARG A 83 -6.852 -4.082 5.791 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.252 -5.233 6.592 1.00 0.00 C ATOM 1145 C ARG A 83 -8.298 -6.067 5.859 1.00 0.00 C ATOM 1146 O ARG A 83 -8.270 -7.297 5.908 1.00 0.00 O ATOM 1147 CB ARG A 83 -7.805 -4.774 7.942 1.00 0.00 C ATOM 1148 CG ARG A 83 -6.727 -4.445 8.962 1.00 0.00 C ATOM 1149 CD ARG A 83 -7.329 -4.057 10.303 1.00 0.00 C ATOM 1150 NE ARG A 83 -7.821 -5.218 11.039 1.00 0.00 N ATOM 1151 CZ ARG A 83 -8.292 -5.156 12.280 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -8.335 -3.996 12.919 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -8.722 -6.257 12.883 1.00 0.00 N ATOM 0 H ARG A 83 -7.284 -3.202 6.072 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.371 -5.852 6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.429 -3.894 7.789 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.449 -5.555 8.346 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.072 -5.307 9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.109 -3.628 8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.579 -3.540 10.901 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.148 -3.356 10.143 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.802 -6.126 10.575 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.006 -3.147 12.458 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.697 -3.952 13.872 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.691 -7.152 12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.083 -6.209 13.836 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.219 -5.390 5.180 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.275 -6.070 4.439 1.00 0.00 C ATOM 1169 C GLU A 84 -9.685 -7.055 3.433 1.00 0.00 C ATOM 1170 O GLU A 84 -10.211 -8.151 3.239 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.156 -5.051 3.714 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.155 -4.354 4.623 1.00 0.00 C ATOM 1173 CD GLU A 84 -12.816 -3.162 3.958 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -13.605 -3.372 3.013 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -12.544 -2.020 4.383 1.00 0.00 O ATOM 0 H GLU A 84 -9.255 -4.372 5.128 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.885 -6.626 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.519 -4.301 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.697 -5.555 2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.922 -5.066 4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.647 -4.024 5.529 1.00 0.00 H new ATOM 1182 N THR A 85 -8.589 -6.657 2.796 1.00 0.00 N ATOM 1183 CA THR A 85 -7.928 -7.502 1.810 1.00 0.00 C ATOM 1184 C THR A 85 -7.585 -8.867 2.397 1.00 0.00 C ATOM 1185 O THR A 85 -7.269 -9.807 1.667 1.00 0.00 O ATOM 1186 CB THR A 85 -6.639 -6.846 1.280 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.729 -6.611 2.360 1.00 0.00 O ATOM 1188 CG2 THR A 85 -6.950 -5.532 0.578 1.00 0.00 C ATOM 0 H THR A 85 -8.140 -5.754 2.946 1.00 0.00 H new ATOM 0 HA THR A 85 -8.628 -7.629 0.984 1.00 0.00 H new ATOM 0 HB THR A 85 -6.181 -7.525 0.561 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.140 -6.001 3.008 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.025 -5.087 0.212 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.620 -5.718 -0.261 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.428 -4.849 1.280 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.651 -8.970 3.720 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.350 -10.220 4.406 1.00 0.00 C ATOM 1198 C LYS A 86 -8.175 -11.368 3.833 1.00 0.00 C ATOM 1199 O LYS A 86 -7.781 -12.531 3.919 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.622 -10.081 5.906 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.363 -11.355 6.692 1.00 0.00 C ATOM 1202 CD LYS A 86 -8.128 -11.366 8.004 1.00 0.00 C ATOM 1203 CE LYS A 86 -7.475 -12.287 9.023 1.00 0.00 C ATOM 1204 NZ LYS A 86 -6.483 -11.566 9.867 1.00 0.00 N ATOM 0 H LYS A 86 -7.911 -8.202 4.339 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.294 -10.444 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.997 -9.283 6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.659 -9.778 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.653 -12.218 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.296 -11.450 6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.177 -10.354 8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.154 -11.688 7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.243 -12.726 9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.982 -13.110 8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.060 -12.228 10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.736 -11.168 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.958 -10.797 10.381 1.00 0.00 H new ATOM 1218 N SER A 87 -9.320 -11.033 3.248 1.00 0.00 N ATOM 1219 CA SER A 87 -10.202 -12.036 2.662 1.00 0.00 C ATOM 1220 C SER A 87 -9.681 -12.490 1.302 1.00 0.00 C ATOM 1221 O SER A 87 -9.295 -13.645 1.128 1.00 0.00 O ATOM 1222 CB SER A 87 -11.619 -11.478 2.518 1.00 0.00 C ATOM 1223 OG SER A 87 -12.271 -11.411 3.774 1.00 0.00 O ATOM 0 H SER A 87 -9.659 -10.074 3.167 1.00 0.00 H new ATOM 0 HA SER A 87 -10.225 -12.898 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.578 -10.484 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.194 -12.108 1.839 1.00 0.00 H new ATOM 0 HG SER A 87 -13.174 -11.050 3.655 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.673 -11.571 0.342 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.200 -11.877 -1.003 1.00 0.00 C ATOM 1231 C GLN A 88 -7.812 -12.506 -0.962 1.00 0.00 C ATOM 1232 O GLN A 88 -6.934 -12.055 -0.226 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.172 -10.608 -1.857 1.00 0.00 C ATOM 1234 CG GLN A 88 -8.308 -9.501 -1.275 1.00 0.00 C ATOM 1235 CD GLN A 88 -8.712 -8.125 -1.767 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -9.543 -7.454 -1.154 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -8.126 -7.698 -2.879 1.00 0.00 N ATOM 0 H GLN A 88 -9.988 -10.609 0.470 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.890 -12.593 -1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.805 -10.858 -2.852 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.190 -10.238 -1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.374 -9.528 -0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.266 -9.684 -1.535 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.443 -8.288 -3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.359 -6.780 -3.258 1.00 0.00 H new ATOM 1246 N THR A 89 -7.619 -13.554 -1.758 1.00 0.00 N ATOM 1247 CA THR A 89 -6.338 -14.247 -1.812 1.00 0.00 C ATOM 1248 C THR A 89 -5.379 -13.558 -2.776 1.00 0.00 C ATOM 1249 O THR A 89 -4.266 -14.030 -3.003 1.00 0.00 O ATOM 1250 CB THR A 89 -6.512 -15.716 -2.242 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.503 -15.811 -3.271 1.00 0.00 O ATOM 1252 CG2 THR A 89 -6.917 -16.582 -1.058 1.00 0.00 C ATOM 0 H THR A 89 -8.334 -13.941 -2.374 1.00 0.00 H new ATOM 0 HA THR A 89 -5.920 -14.217 -0.806 1.00 0.00 H new ATOM 0 HB THR A 89 -5.557 -16.076 -2.624 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.606 -16.748 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.034 -17.615 -1.386 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.146 -16.530 -0.289 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.861 -16.222 -0.650 1.00 0.00 H new ATOM 1260 N SER A 90 -5.819 -12.437 -3.339 1.00 0.00 N ATOM 1261 CA SER A 90 -5.000 -11.683 -4.282 1.00 0.00 C ATOM 1262 C SER A 90 -5.037 -10.192 -3.962 1.00 0.00 C ATOM 1263 O SER A 90 -6.093 -9.635 -3.662 1.00 0.00 O ATOM 1264 CB SER A 90 -5.484 -11.921 -5.714 1.00 0.00 C ATOM 1265 OG SER A 90 -4.741 -11.145 -6.638 1.00 0.00 O ATOM 0 H SER A 90 -6.737 -12.031 -3.159 1.00 0.00 H new ATOM 0 HA SER A 90 -3.971 -12.031 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.389 -12.978 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.542 -11.669 -5.790 1.00 0.00 H new ATOM 0 HG SER A 90 -5.068 -11.316 -7.546 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.874 -9.550 -4.028 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.772 -8.123 -3.747 1.00 0.00 C ATOM 1273 C VAL A 91 -2.704 -7.467 -4.616 1.00 0.00 C ATOM 1274 O VAL A 91 -1.565 -7.932 -4.677 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.442 -7.866 -2.265 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -3.306 -6.374 -1.999 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.505 -8.481 -1.368 1.00 0.00 C ATOM 0 H VAL A 91 -2.990 -9.996 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.743 -7.684 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.488 -8.340 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.073 -6.212 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.505 -5.966 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.243 -5.874 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.256 -8.290 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.474 -8.038 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.548 -9.557 -1.539 1.00 0.00 H new ATOM 1287 N THR A 92 -3.079 -6.383 -5.287 1.00 0.00 N ATOM 1288 CA THR A 92 -2.155 -5.662 -6.153 1.00 0.00 C ATOM 1289 C THR A 92 -1.826 -4.287 -5.583 1.00 0.00 C ATOM 1290 O THR A 92 -2.692 -3.415 -5.499 1.00 0.00 O ATOM 1291 CB THR A 92 -2.730 -5.493 -7.572 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.263 -6.738 -8.036 1.00 0.00 O ATOM 1293 CG2 THR A 92 -1.659 -5.004 -8.535 1.00 0.00 C ATOM 0 H THR A 92 -4.017 -5.985 -5.247 1.00 0.00 H new ATOM 0 HA THR A 92 -1.244 -6.257 -6.207 1.00 0.00 H new ATOM 0 HB THR A 92 -3.526 -4.750 -7.531 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.628 -6.622 -8.938 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.089 -4.892 -9.531 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.276 -4.042 -8.195 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.844 -5.727 -8.571 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.570 -4.098 -5.192 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.126 -2.828 -4.631 1.00 0.00 C ATOM 1303 C LEU A 93 0.307 -1.866 -5.733 1.00 0.00 C ATOM 1304 O LEU A 93 0.904 -2.276 -6.728 1.00 0.00 O ATOM 1305 CB LEU A 93 1.029 -3.055 -3.654 1.00 0.00 C ATOM 1306 CG LEU A 93 0.782 -4.084 -2.550 1.00 0.00 C ATOM 1307 CD1 LEU A 93 2.035 -4.276 -1.709 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.389 -3.659 -1.677 1.00 0.00 C ATOM 0 H LEU A 93 0.159 -4.809 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.965 -2.383 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.905 -3.366 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.275 -2.102 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 93 0.534 -5.037 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.840 -5.012 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.849 -4.627 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.315 -3.327 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.550 -4.403 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.170 -2.695 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.287 -3.574 -2.289 1.00 0.00 H new ATOM 1320 N SER A 94 0.004 -0.586 -5.547 1.00 0.00 N ATOM 1321 CA SER A 94 0.360 0.434 -6.527 1.00 0.00 C ATOM 1322 C SER A 94 1.216 1.524 -5.889 1.00 0.00 C ATOM 1323 O SER A 94 0.757 2.255 -5.011 1.00 0.00 O ATOM 1324 CB SER A 94 -0.902 1.051 -7.134 1.00 0.00 C ATOM 1325 OG SER A 94 -1.427 2.066 -6.297 1.00 0.00 O ATOM 0 H SER A 94 -0.487 -0.230 -4.727 1.00 0.00 H new ATOM 0 HA SER A 94 0.939 -0.043 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.671 1.467 -8.115 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.653 0.276 -7.285 1.00 0.00 H new ATOM 0 HG SER A 94 -0.902 2.112 -5.471 1.00 0.00 H new ATOM 1331 N ILE A 95 2.463 1.626 -6.338 1.00 0.00 N ATOM 1332 CA ILE A 95 3.383 2.627 -5.813 1.00 0.00 C ATOM 1333 C ILE A 95 3.990 3.459 -6.937 1.00 0.00 C ATOM 1334 O ILE A 95 3.769 3.185 -8.117 1.00 0.00 O ATOM 1335 CB ILE A 95 4.519 1.976 -5.000 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.424 1.152 -5.918 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.945 1.106 -3.892 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.823 0.963 -5.376 1.00 0.00 C ATOM 0 H ILE A 95 2.859 1.028 -7.063 1.00 0.00 H new ATOM 0 HA ILE A 95 2.803 3.276 -5.157 1.00 0.00 H new ATOM 0 HB ILE A 95 5.118 2.764 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.970 0.174 -6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.483 1.641 -6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.759 0.653 -3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.338 1.719 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.326 0.322 -4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.408 0.370 -6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.295 1.936 -5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.775 0.447 -4.417 1.00 0.00 H new ATOM 1350 N VAL A 96 4.759 4.478 -6.564 1.00 0.00 N ATOM 1351 CA VAL A 96 5.401 5.349 -7.540 1.00 0.00 C ATOM 1352 C VAL A 96 6.847 4.932 -7.782 1.00 0.00 C ATOM 1353 O VAL A 96 7.725 5.188 -6.957 1.00 0.00 O ATOM 1354 CB VAL A 96 5.372 6.820 -7.084 1.00 0.00 C ATOM 1355 CG1 VAL A 96 6.119 7.701 -8.074 1.00 0.00 C ATOM 1356 CG2 VAL A 96 3.937 7.296 -6.912 1.00 0.00 C ATOM 0 H VAL A 96 4.952 4.720 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 96 4.838 5.253 -8.468 1.00 0.00 H new ATOM 0 HB VAL A 96 5.873 6.893 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.088 8.737 -7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.156 7.373 -8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.649 7.626 -9.055 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.935 8.337 -6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.409 7.209 -7.861 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.438 6.683 -6.162 1.00 0.00 H new