USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 625 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 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= -0.101 (180deg=-0.441) USER MOD Single : A 24 THR OG1 : rot 110:sc= 0.0352 USER MOD Single : A 25 SER OG : rot 65:sc= 0.00749 USER MOD Single : A 26 SER OG : rot 180:sc= -0.044 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 130:sc= -0.876 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0364 F(o=-1,f=-0.036) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.01! C(o=-2!,f=-4.7!) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.769 F(o=-1.9,f=-0.77) USER MOD Single : A 80 MET CE :methyl -114:sc= -2.01 (180deg=-3.15!) USER MOD Single : A 82 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.3) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.518 K(o=-0.52,f=-1.3) USER MOD Single : A 94 ASN :FLIP amide:sc= 0.0278 F(o=-0.89,f=0.028) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.997 -7.356 2.288 1.00 0.55 N ATOM 139 CA SER A 12 -10.116 -8.261 3.017 1.00 0.45 C ATOM 140 C SER A 12 -8.745 -7.630 3.238 1.00 0.39 C ATOM 141 O SER A 12 -8.252 -6.877 2.396 1.00 0.38 O ATOM 142 CB SER A 12 -9.964 -9.578 2.255 1.00 0.51 C ATOM 143 OG SER A 12 -9.111 -10.473 2.947 1.00 0.90 O ATOM 0 HA SER A 12 -10.565 -8.458 3.990 1.00 0.45 H new ATOM 0 HB2 SER A 12 -10.943 -10.037 2.117 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.561 -9.382 1.261 1.00 0.51 H new ATOM 0 HG SER A 12 -9.032 -11.308 2.440 1.00 0.90 H new ATOM 149 N LEU A 13 -8.139 -7.942 4.379 1.00 0.41 N ATOM 150 CA LEU A 13 -6.822 -7.417 4.717 1.00 0.40 C ATOM 151 C LEU A 13 -5.730 -8.239 4.041 1.00 0.45 C ATOM 152 O LEU A 13 -5.637 -9.450 4.244 1.00 0.68 O ATOM 153 CB LEU A 13 -6.620 -7.423 6.234 1.00 0.56 C ATOM 154 CG LEU A 13 -7.653 -6.620 7.027 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.501 -6.880 8.519 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.510 -5.136 6.728 1.00 0.79 C ATOM 0 H LEU A 13 -8.541 -8.557 5.086 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.759 -6.390 4.358 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.638 -8.455 6.584 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.628 -7.029 6.455 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.649 -6.941 6.723 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.244 -6.300 9.067 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.648 -7.941 8.720 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.502 -6.585 8.840 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.251 -4.577 7.299 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.510 -4.803 7.007 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.666 -4.963 5.663 1.00 0.79 H new ATOM 168 N TYR A 14 -4.905 -7.573 3.241 1.00 0.36 N ATOM 169 CA TYR A 14 -3.820 -8.241 2.533 1.00 0.50 C ATOM 170 C TYR A 14 -2.464 -7.774 3.048 1.00 0.31 C ATOM 171 O TYR A 14 -2.320 -6.643 3.510 1.00 0.37 O ATOM 172 CB TYR A 14 -3.929 -7.978 1.030 1.00 0.80 C ATOM 173 CG TYR A 14 -4.950 -8.851 0.331 1.00 0.68 C ATOM 174 CD1 TYR A 14 -6.303 -8.544 0.389 1.00 0.71 C ATOM 175 CD2 TYR A 14 -4.564 -9.979 -0.385 1.00 1.20 C ATOM 176 CE1 TYR A 14 -7.242 -9.332 -0.246 1.00 1.34 C ATOM 177 CE2 TYR A 14 -5.498 -10.774 -1.022 1.00 1.90 C ATOM 178 CZ TYR A 14 -6.817 -10.462 -0.956 1.00 1.98 C ATOM 179 OH TYR A 14 -7.770 -11.233 -1.582 1.00 2.73 O ATOM 0 H TYR A 14 -4.967 -6.570 3.067 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.905 -9.312 2.715 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -4.190 -6.932 0.871 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -2.953 -8.137 0.571 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -6.626 -7.674 0.941 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -3.517 -10.238 -0.444 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -8.291 -9.080 -0.196 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -5.177 -11.645 -1.574 1.00 1.90 H new ATOM 0 HH TYR A 14 -7.336 -11.984 -2.038 1.00 2.73 H new ATOM 189 N SER A 15 -1.472 -8.655 2.967 1.00 0.43 N ATOM 190 CA SER A 15 -0.129 -8.331 3.429 1.00 0.38 C ATOM 191 C SER A 15 0.927 -9.107 2.648 1.00 0.33 C ATOM 192 O SER A 15 0.759 -10.293 2.366 1.00 0.41 O ATOM 193 CB SER A 15 0.000 -8.636 4.922 1.00 0.59 C ATOM 194 OG SER A 15 -0.241 -10.007 5.184 1.00 1.19 O ATOM 0 H SER A 15 -1.573 -9.596 2.587 1.00 0.43 H new ATOM 0 HA SER A 15 0.037 -7.267 3.261 1.00 0.38 H new ATOM 0 HB2 SER A 15 0.998 -8.367 5.267 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.707 -8.025 5.484 1.00 0.59 H new ATOM 0 HG SER A 15 -0.151 -10.177 6.145 1.00 1.19 H new ATOM 200 N VAL A 16 2.015 -8.426 2.301 1.00 0.32 N ATOM 201 CA VAL A 16 3.104 -9.044 1.554 1.00 0.33 C ATOM 202 C VAL A 16 4.446 -8.775 2.229 1.00 0.31 C ATOM 203 O VAL A 16 4.654 -7.709 2.810 1.00 0.44 O ATOM 204 CB VAL A 16 3.155 -8.525 0.103 1.00 0.44 C ATOM 205 CG1 VAL A 16 4.216 -9.267 -0.696 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.791 -8.654 -0.556 1.00 0.56 C ATOM 0 H VAL A 16 2.166 -7.443 2.526 1.00 0.32 H new ATOM 0 HA VAL A 16 2.914 -10.117 1.538 1.00 0.33 H new ATOM 0 HB VAL A 16 3.425 -7.469 0.123 1.00 0.44 H new ATOM 0 HG11 VAL A 16 4.236 -8.886 -1.717 1.00 0.53 H new ATOM 0 HG12 VAL A 16 5.191 -9.116 -0.234 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.982 -10.332 -0.711 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.845 -8.283 -1.580 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.489 -9.701 -0.565 1.00 0.56 H new ATOM 0 HG23 VAL A 16 1.060 -8.070 0.003 1.00 0.56 H new ATOM 216 N GLU A 17 5.354 -9.743 2.150 1.00 0.33 N ATOM 217 CA GLU A 17 6.672 -9.604 2.760 1.00 0.34 C ATOM 218 C GLU A 17 7.702 -9.104 1.751 1.00 0.32 C ATOM 219 O GLU A 17 8.031 -9.794 0.786 1.00 0.38 O ATOM 220 CB GLU A 17 7.129 -10.938 3.351 1.00 0.45 C ATOM 221 CG GLU A 17 6.253 -11.426 4.492 1.00 0.71 C ATOM 222 CD GLU A 17 6.789 -12.688 5.138 1.00 1.18 C ATOM 223 OE1 GLU A 17 6.450 -13.790 4.659 1.00 1.42 O ATOM 224 OE2 GLU A 17 7.548 -12.575 6.124 1.00 1.74 O ATOM 0 H GLU A 17 5.202 -10.630 1.671 1.00 0.33 H new ATOM 0 HA GLU A 17 6.591 -8.866 3.558 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.139 -11.691 2.563 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.154 -10.836 3.708 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.173 -10.642 5.245 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.246 -11.613 4.118 1.00 0.71 H new ATOM 231 N LEU A 18 8.205 -7.896 1.986 1.00 0.31 N ATOM 232 CA LEU A 18 9.206 -7.293 1.113 1.00 0.34 C ATOM 233 C LEU A 18 10.508 -7.060 1.871 1.00 0.38 C ATOM 234 O LEU A 18 10.544 -7.144 3.098 1.00 0.68 O ATOM 235 CB LEU A 18 8.690 -5.972 0.535 1.00 0.40 C ATOM 236 CG LEU A 18 8.173 -6.048 -0.905 1.00 0.46 C ATOM 237 CD1 LEU A 18 9.303 -6.401 -1.862 1.00 0.81 C ATOM 238 CD2 LEU A 18 7.042 -7.060 -1.015 1.00 0.71 C ATOM 0 H LEU A 18 7.934 -7.313 2.778 1.00 0.31 H new ATOM 0 HA LEU A 18 9.400 -7.982 0.291 1.00 0.34 H new ATOM 0 HB2 LEU A 18 7.887 -5.604 1.173 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.494 -5.237 0.577 1.00 0.40 H new ATOM 0 HG LEU A 18 7.784 -5.068 -1.181 1.00 0.46 H new ATOM 0 HD11 LEU A 18 8.916 -6.450 -2.880 1.00 0.81 H new ATOM 0 HD12 LEU A 18 10.079 -5.638 -1.806 1.00 0.81 H new ATOM 0 HD13 LEU A 18 9.724 -7.368 -1.587 1.00 0.81 H new ATOM 0 HD21 LEU A 18 6.688 -7.100 -2.045 1.00 0.71 H new ATOM 0 HD22 LEU A 18 7.404 -8.044 -0.718 1.00 0.71 H new ATOM 0 HD23 LEU A 18 6.222 -6.762 -0.361 1.00 0.71 H new ATOM 250 N PHE A 19 11.577 -6.775 1.137 1.00 0.41 N ATOM 251 CA PHE A 19 12.878 -6.534 1.751 1.00 0.43 C ATOM 252 C PHE A 19 13.778 -5.725 0.827 1.00 0.49 C ATOM 253 O PHE A 19 13.873 -6.008 -0.367 1.00 0.59 O ATOM 254 CB PHE A 19 13.551 -7.862 2.103 1.00 0.48 C ATOM 255 CG PHE A 19 13.620 -8.826 0.952 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.551 -9.659 0.662 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.756 -8.900 0.162 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.613 -10.546 -0.396 1.00 1.25 C ATOM 259 CE2 PHE A 19 14.824 -9.784 -0.897 1.00 2.08 C ATOM 260 CZ PHE A 19 13.742 -10.612 -1.175 1.00 1.94 C ATOM 0 H PHE A 19 11.570 -6.705 0.119 1.00 0.41 H new ATOM 0 HA PHE A 19 12.719 -5.960 2.664 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.561 -7.664 2.461 1.00 0.48 H new ATOM 0 HB3 PHE A 19 13.007 -8.329 2.925 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.659 -9.614 1.270 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.598 -8.259 0.377 1.00 1.50 H new ATOM 0 HE1 PHE A 19 11.772 -11.189 -0.611 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.714 -9.832 -1.507 1.00 2.08 H new ATOM 0 HZ PHE A 19 13.789 -11.305 -2.002 1.00 1.94 H new ATOM 270 N ARG A 20 14.439 -4.712 1.384 1.00 0.52 N ATOM 271 CA ARG A 20 15.338 -3.875 0.598 1.00 0.66 C ATOM 272 C ARG A 20 16.749 -3.901 1.177 1.00 0.68 C ATOM 273 O ARG A 20 16.948 -4.253 2.339 1.00 0.83 O ATOM 274 CB ARG A 20 14.822 -2.435 0.541 1.00 0.73 C ATOM 275 CG ARG A 20 15.510 -1.586 -0.518 1.00 0.99 C ATOM 276 CD ARG A 20 15.010 -0.151 -0.503 1.00 1.19 C ATOM 277 NE ARG A 20 15.331 0.526 0.749 1.00 1.60 N ATOM 278 CZ ARG A 20 15.845 1.751 0.815 1.00 2.26 C ATOM 279 NH1 ARG A 20 16.088 2.433 -0.295 1.00 2.52 N ATOM 280 NH2 ARG A 20 16.115 2.295 1.994 1.00 3.06 N ATOM 0 H ARG A 20 14.369 -4.454 2.368 1.00 0.52 H new ATOM 0 HA ARG A 20 15.371 -4.277 -0.415 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.750 -2.449 0.344 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.961 -1.969 1.516 1.00 0.73 H new ATOM 0 HG2 ARG A 20 16.587 -1.597 -0.350 1.00 0.99 H new ATOM 0 HG3 ARG A 20 15.336 -2.021 -1.502 1.00 0.99 H new ATOM 0 HD2 ARG A 20 15.453 0.396 -1.335 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.931 -0.141 -0.654 1.00 1.19 H new ATOM 0 HE ARG A 20 15.151 0.032 1.623 1.00 1.60 H new ATOM 0 HH11 ARG A 20 15.881 2.019 -1.204 1.00 2.52 H new ATOM 0 HH12 ARG A 20 16.482 3.372 -0.241 1.00 2.52 H new ATOM 0 HH21 ARG A 20 15.929 1.774 2.851 1.00 3.06 H new ATOM 0 HH22 ARG A 20 16.509 3.234 2.044 1.00 3.06 H new ATOM 294 N GLU A 21 17.727 -3.529 0.354 1.00 0.82 N ATOM 295 CA GLU A 21 19.122 -3.505 0.781 1.00 0.93 C ATOM 296 C GLU A 21 19.980 -2.726 -0.211 1.00 1.16 C ATOM 297 O GLU A 21 20.957 -2.079 0.168 1.00 1.57 O ATOM 298 CB GLU A 21 19.662 -4.929 0.936 1.00 1.09 C ATOM 299 CG GLU A 21 19.706 -5.714 -0.366 1.00 1.62 C ATOM 300 CD GLU A 21 20.325 -7.088 -0.196 1.00 2.00 C ATOM 301 OE1 GLU A 21 21.569 -7.191 -0.256 1.00 2.21 O ATOM 302 OE2 GLU A 21 19.566 -8.061 -0.002 1.00 2.58 O ATOM 0 H GLU A 21 17.578 -3.240 -0.613 1.00 0.82 H new ATOM 0 HA GLU A 21 19.169 -3.004 1.748 1.00 0.93 H new ATOM 0 HB2 GLU A 21 20.667 -4.883 1.356 1.00 1.09 H new ATOM 0 HB3 GLU A 21 19.042 -5.467 1.653 1.00 1.09 H new ATOM 0 HG2 GLU A 21 18.694 -5.821 -0.756 1.00 1.62 H new ATOM 0 HG3 GLU A 21 20.275 -5.152 -1.106 1.00 1.62 H new ATOM 309 N LYS A 22 19.606 -2.797 -1.481 1.00 1.11 N ATOM 310 CA LYS A 22 20.330 -2.103 -2.540 1.00 1.40 C ATOM 311 C LYS A 22 20.178 -0.591 -2.404 1.00 1.31 C ATOM 312 O LYS A 22 19.283 -0.106 -1.711 1.00 1.38 O ATOM 313 CB LYS A 22 19.816 -2.555 -3.909 1.00 1.65 C ATOM 314 CG LYS A 22 20.004 -4.040 -4.172 1.00 2.00 C ATOM 315 CD LYS A 22 21.473 -4.396 -4.341 1.00 2.54 C ATOM 316 CE LYS A 22 21.654 -5.864 -4.693 1.00 3.05 C ATOM 317 NZ LYS A 22 20.916 -6.234 -5.932 1.00 3.72 N ATOM 0 H LYS A 22 18.800 -3.332 -1.806 1.00 1.11 H new ATOM 0 HA LYS A 22 21.387 -2.352 -2.450 1.00 1.40 H new ATOM 0 HB2 LYS A 22 18.756 -2.312 -3.988 1.00 1.65 H new ATOM 0 HB3 LYS A 22 20.331 -1.989 -4.686 1.00 1.65 H new ATOM 0 HG2 LYS A 22 19.583 -4.613 -3.346 1.00 2.00 H new ATOM 0 HG3 LYS A 22 19.454 -4.324 -5.070 1.00 2.00 H new ATOM 0 HD2 LYS A 22 21.911 -3.777 -5.124 1.00 2.54 H new ATOM 0 HD3 LYS A 22 22.011 -4.173 -3.420 1.00 2.54 H new ATOM 0 HE2 LYS A 22 22.715 -6.077 -4.825 1.00 3.05 H new ATOM 0 HE3 LYS A 22 21.305 -6.481 -3.865 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 21.293 -7.128 -6.307 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 19.906 -6.349 -5.713 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 21.033 -5.484 -6.643 1.00 3.72 H new ATOM 331 N ASP A 23 21.063 0.149 -3.068 1.00 1.46 N ATOM 332 CA ASP A 23 21.029 1.607 -3.025 1.00 1.51 C ATOM 333 C ASP A 23 20.081 2.156 -4.086 1.00 1.31 C ATOM 334 O ASP A 23 20.204 3.307 -4.506 1.00 1.58 O ATOM 335 CB ASP A 23 22.433 2.181 -3.232 1.00 1.91 C ATOM 336 CG ASP A 23 23.416 1.704 -2.181 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.475 2.323 -1.098 1.00 2.87 O ATOM 338 OD2 ASP A 23 24.127 0.710 -2.440 1.00 2.58 O ATOM 0 H ASP A 23 21.812 -0.238 -3.642 1.00 1.46 H new ATOM 0 HA ASP A 23 20.665 1.909 -2.043 1.00 1.51 H new ATOM 0 HB2 ASP A 23 22.796 1.897 -4.220 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.384 3.270 -3.211 1.00 1.91 H new ATOM 343 N THR A 24 19.135 1.324 -4.513 1.00 1.02 N ATOM 344 CA THR A 24 18.164 1.722 -5.524 1.00 0.98 C ATOM 345 C THR A 24 17.287 2.865 -5.023 1.00 1.01 C ATOM 346 O THR A 24 16.717 3.617 -5.813 1.00 1.16 O ATOM 347 CB THR A 24 17.265 0.542 -5.936 1.00 1.17 C ATOM 348 OG1 THR A 24 16.570 0.032 -4.792 1.00 1.38 O ATOM 349 CG2 THR A 24 18.089 -0.568 -6.570 1.00 1.19 C ATOM 0 H THR A 24 19.021 0.369 -4.173 1.00 1.02 H new ATOM 0 HA THR A 24 18.731 2.056 -6.393 1.00 0.98 H new ATOM 0 HB THR A 24 16.543 0.902 -6.668 1.00 1.17 H new ATOM 0 HG1 THR A 24 15.618 0.254 -4.862 1.00 1.38 H new ATOM 0 HG21 THR A 24 17.433 -1.391 -6.853 1.00 1.19 H new ATOM 0 HG22 THR A 24 18.594 -0.185 -7.457 1.00 1.19 H new ATOM 0 HG23 THR A 24 18.831 -0.924 -5.855 1.00 1.19 H new ATOM 357 N SER A 25 17.189 2.984 -3.701 1.00 1.05 N ATOM 358 CA SER A 25 16.389 4.033 -3.074 1.00 1.35 C ATOM 359 C SER A 25 14.939 3.981 -3.546 1.00 1.17 C ATOM 360 O SER A 25 14.239 4.993 -3.534 1.00 1.39 O ATOM 361 CB SER A 25 16.989 5.409 -3.374 1.00 1.79 C ATOM 362 OG SER A 25 18.313 5.507 -2.881 1.00 2.45 O ATOM 0 H SER A 25 17.656 2.363 -3.040 1.00 1.05 H new ATOM 0 HA SER A 25 16.401 3.864 -1.997 1.00 1.35 H new ATOM 0 HB2 SER A 25 16.984 5.584 -4.450 1.00 1.79 H new ATOM 0 HB3 SER A 25 16.371 6.185 -2.922 1.00 1.79 H new ATOM 0 HG SER A 25 18.888 4.874 -3.360 1.00 2.45 H new ATOM 368 N SER A 26 14.491 2.797 -3.955 1.00 0.84 N ATOM 369 CA SER A 26 13.122 2.620 -4.429 1.00 0.72 C ATOM 370 C SER A 26 12.639 1.193 -4.193 1.00 0.58 C ATOM 371 O SER A 26 13.437 0.257 -4.131 1.00 0.69 O ATOM 372 CB SER A 26 13.031 2.961 -5.918 1.00 0.81 C ATOM 373 OG SER A 26 13.435 4.298 -6.161 1.00 1.40 O ATOM 0 H SER A 26 15.055 1.947 -3.968 1.00 0.84 H new ATOM 0 HA SER A 26 12.480 3.296 -3.865 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.660 2.278 -6.490 1.00 0.81 H new ATOM 0 HB3 SER A 26 12.008 2.818 -6.265 1.00 0.81 H new ATOM 0 HG SER A 26 13.369 4.490 -7.120 1.00 1.40 H new ATOM 379 N LEU A 27 11.325 1.036 -4.063 1.00 0.42 N ATOM 380 CA LEU A 27 10.725 -0.276 -3.837 1.00 0.32 C ATOM 381 C LEU A 27 9.759 -0.632 -4.960 1.00 0.29 C ATOM 382 O LEU A 27 9.232 -1.743 -5.008 1.00 0.41 O ATOM 383 CB LEU A 27 9.992 -0.305 -2.493 1.00 0.35 C ATOM 384 CG LEU A 27 10.893 -0.288 -1.258 1.00 0.38 C ATOM 385 CD1 LEU A 27 10.060 -0.180 0.009 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.764 -1.536 -1.216 1.00 0.43 C ATOM 0 H LEU A 27 10.654 1.802 -4.110 1.00 0.42 H new ATOM 0 HA LEU A 27 11.527 -1.014 -3.821 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.321 0.553 -2.445 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.370 -1.199 -2.456 1.00 0.35 H new ATOM 0 HG LEU A 27 11.543 0.585 -1.319 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.718 -0.169 0.878 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.477 0.741 -0.016 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.386 -1.034 0.075 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.399 -1.507 -0.330 1.00 0.43 H new ATOM 0 HD22 LEU A 27 11.129 -2.421 -1.179 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.388 -1.574 -2.109 1.00 0.43 H new ATOM 398 N GLY A 28 9.534 0.317 -5.863 1.00 0.29 N ATOM 399 CA GLY A 28 8.628 0.085 -6.972 1.00 0.31 C ATOM 400 C GLY A 28 7.198 0.451 -6.634 1.00 0.29 C ATOM 401 O GLY A 28 6.263 0.042 -7.324 1.00 0.52 O ATOM 0 H GLY A 28 9.963 1.242 -5.846 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.956 0.667 -7.833 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.673 -0.965 -7.261 1.00 0.31 H new ATOM 405 N ILE A 29 7.027 1.225 -5.566 1.00 0.35 N ATOM 406 CA ILE A 29 5.702 1.650 -5.131 1.00 0.32 C ATOM 407 C ILE A 29 5.379 3.048 -5.649 1.00 0.30 C ATOM 408 O ILE A 29 6.036 4.023 -5.280 1.00 0.35 O ATOM 409 CB ILE A 29 5.591 1.643 -3.593 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.937 0.256 -3.043 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.192 2.060 -3.160 1.00 0.36 C ATOM 412 CD1 ILE A 29 6.013 0.204 -1.532 1.00 0.84 C ATOM 0 H ILE A 29 7.791 1.571 -4.986 1.00 0.35 H new ATOM 0 HA ILE A 29 4.986 0.939 -5.543 1.00 0.32 H new ATOM 0 HB ILE A 29 6.303 2.362 -3.187 1.00 0.37 H new ATOM 0 HG12 ILE A 29 5.188 -0.458 -3.385 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.894 -0.062 -3.458 1.00 0.46 H new ATOM 0 HG21 ILE A 29 4.130 2.050 -2.072 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.982 3.065 -3.526 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.461 1.364 -3.572 1.00 0.36 H new ATOM 0 HD11 ILE A 29 6.262 -0.809 -1.215 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.782 0.893 -1.182 1.00 0.84 H new ATOM 0 HD13 ILE A 29 5.050 0.490 -1.109 1.00 0.84 H new ATOM 424 N SER A 30 4.365 3.141 -6.505 1.00 0.27 N ATOM 425 CA SER A 30 3.958 4.423 -7.071 1.00 0.29 C ATOM 426 C SER A 30 2.600 4.849 -6.522 1.00 0.28 C ATOM 427 O SER A 30 1.557 4.517 -7.088 1.00 0.35 O ATOM 428 CB SER A 30 3.903 4.338 -8.598 1.00 0.33 C ATOM 429 OG SER A 30 3.552 5.589 -9.166 1.00 0.95 O ATOM 0 H SER A 30 3.811 2.345 -6.821 1.00 0.27 H new ATOM 0 HA SER A 30 4.697 5.171 -6.785 1.00 0.29 H new ATOM 0 HB2 SER A 30 4.872 4.019 -8.983 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.177 3.582 -8.897 1.00 0.33 H new ATOM 0 HG SER A 30 3.525 5.509 -10.142 1.00 0.95 H new ATOM 435 N ILE A 31 2.623 5.587 -5.416 1.00 0.25 N ATOM 436 CA ILE A 31 1.398 6.060 -4.782 1.00 0.27 C ATOM 437 C ILE A 31 0.944 7.389 -5.381 1.00 0.31 C ATOM 438 O ILE A 31 1.692 8.039 -6.110 1.00 0.41 O ATOM 439 CB ILE A 31 1.585 6.229 -3.262 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.733 7.199 -2.969 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.845 4.877 -2.614 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.893 7.528 -1.500 1.00 0.39 C ATOM 0 H ILE A 31 3.479 5.871 -4.940 1.00 0.25 H new ATOM 0 HA ILE A 31 0.633 5.305 -4.966 1.00 0.27 H new ATOM 0 HB ILE A 31 0.671 6.646 -2.840 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.664 6.769 -3.339 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.566 8.123 -3.523 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.976 5.008 -1.540 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.998 4.216 -2.799 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.748 4.438 -3.039 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.725 8.220 -1.371 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.977 7.988 -1.128 1.00 0.39 H new ATOM 0 HD13 ILE A 31 3.092 6.613 -0.942 1.00 0.39 H new ATOM 454 N SER A 32 -0.286 7.783 -5.065 1.00 0.37 N ATOM 455 CA SER A 32 -0.844 9.034 -5.568 1.00 0.44 C ATOM 456 C SER A 32 -1.857 9.610 -4.583 1.00 0.55 C ATOM 457 O SER A 32 -2.711 8.890 -4.066 1.00 0.59 O ATOM 458 CB SER A 32 -1.509 8.808 -6.928 1.00 0.48 C ATOM 459 OG SER A 32 -2.058 10.014 -7.435 1.00 1.32 O ATOM 0 H SER A 32 -0.916 7.253 -4.462 1.00 0.37 H new ATOM 0 HA SER A 32 -0.029 9.748 -5.684 1.00 0.44 H new ATOM 0 HB2 SER A 32 -0.777 8.413 -7.633 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.295 8.059 -6.832 1.00 0.48 H new ATOM 0 HG SER A 32 -2.475 9.843 -8.305 1.00 1.32 H new ATOM 465 N GLY A 33 -1.754 10.911 -4.330 1.00 0.70 N ATOM 466 CA GLY A 33 -2.664 11.564 -3.406 1.00 0.87 C ATOM 467 C GLY A 33 -4.104 11.515 -3.876 1.00 0.88 C ATOM 468 O GLY A 33 -4.399 11.822 -5.031 1.00 0.95 O ATOM 0 H GLY A 33 -1.056 11.525 -4.749 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -2.588 11.087 -2.429 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -2.362 12.604 -3.278 1.00 0.87 H new ATOM 634 N ILE A 46 -3.525 8.174 1.007 1.00 0.46 N ATOM 635 CA ILE A 46 -2.410 7.640 0.233 1.00 0.39 C ATOM 636 C ILE A 46 -2.691 6.203 -0.204 1.00 0.39 C ATOM 637 O ILE A 46 -2.932 5.328 0.628 1.00 0.57 O ATOM 638 CB ILE A 46 -1.091 7.699 1.044 1.00 0.38 C ATOM 639 CG1 ILE A 46 -0.471 9.098 0.960 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.097 6.652 0.559 1.00 0.43 C ATOM 641 CD1 ILE A 46 -1.320 10.186 1.580 1.00 0.55 C ATOM 0 HA ILE A 46 -2.298 8.261 -0.656 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.330 7.482 2.085 1.00 0.38 H new ATOM 0 HG12 ILE A 46 0.501 9.084 1.454 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.293 9.343 -0.087 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.818 6.719 1.148 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.530 5.658 0.673 1.00 0.43 H new ATOM 0 HG23 ILE A 46 0.134 6.828 -0.492 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.812 11.145 1.480 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -2.283 10.230 1.071 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.477 9.967 2.636 1.00 0.55 H new ATOM 653 N TYR A 47 -2.658 5.971 -1.514 1.00 0.30 N ATOM 654 CA TYR A 47 -2.909 4.642 -2.063 1.00 0.30 C ATOM 655 C TYR A 47 -2.053 4.393 -3.302 1.00 0.26 C ATOM 656 O TYR A 47 -1.667 5.331 -4.000 1.00 0.29 O ATOM 657 CB TYR A 47 -4.393 4.483 -2.411 1.00 0.36 C ATOM 658 CG TYR A 47 -4.857 5.361 -3.554 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.233 6.682 -3.336 1.00 0.43 C ATOM 660 CD2 TYR A 47 -4.924 4.867 -4.851 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.660 7.484 -4.378 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.349 5.664 -5.898 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.716 6.969 -5.656 1.00 0.58 C ATOM 664 OH TYR A 47 -6.139 7.764 -6.696 1.00 0.70 O ATOM 0 H TYR A 47 -2.460 6.686 -2.214 1.00 0.30 H new ATOM 0 HA TYR A 47 -2.640 3.906 -1.305 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.586 3.441 -2.666 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -4.989 4.710 -1.527 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.191 7.088 -2.336 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.639 3.843 -5.045 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -5.948 8.508 -4.192 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.393 5.265 -6.901 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.119 7.250 -7.530 1.00 0.70 H new ATOM 674 N VAL A 48 -1.755 3.123 -3.566 1.00 0.26 N ATOM 675 CA VAL A 48 -0.946 2.750 -4.721 1.00 0.25 C ATOM 676 C VAL A 48 -1.799 2.643 -5.980 1.00 0.28 C ATOM 677 O VAL A 48 -2.796 1.920 -6.007 1.00 0.39 O ATOM 678 CB VAL A 48 -0.216 1.409 -4.494 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.558 0.999 -5.738 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.710 1.504 -3.294 1.00 0.29 C ATOM 0 H VAL A 48 -2.062 2.336 -2.995 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.205 3.539 -4.852 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.964 0.642 -4.292 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.065 0.051 -5.555 1.00 0.29 H new ATOM 0 HG12 VAL A 48 -0.131 0.887 -6.575 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.296 1.765 -5.976 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.216 0.550 -3.149 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.450 2.285 -3.467 1.00 0.29 H new ATOM 0 HG23 VAL A 48 0.129 1.745 -2.404 1.00 0.29 H new ATOM 690 N LYS A 49 -1.395 3.367 -7.020 1.00 0.31 N ATOM 691 CA LYS A 49 -2.118 3.360 -8.286 1.00 0.38 C ATOM 692 C LYS A 49 -1.331 2.613 -9.362 1.00 0.32 C ATOM 693 O LYS A 49 -1.913 2.064 -10.297 1.00 0.37 O ATOM 694 CB LYS A 49 -2.398 4.793 -8.746 1.00 0.49 C ATOM 695 CG LYS A 49 -3.096 4.877 -10.095 1.00 0.61 C ATOM 696 CD LYS A 49 -3.306 6.318 -10.533 1.00 0.84 C ATOM 697 CE LYS A 49 -4.309 7.035 -9.643 1.00 1.65 C ATOM 698 NZ LYS A 49 -4.525 8.444 -10.074 1.00 2.40 N ATOM 0 H LYS A 49 -0.570 3.966 -7.010 1.00 0.31 H new ATOM 0 HA LYS A 49 -3.065 2.843 -8.130 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -3.013 5.292 -7.997 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.456 5.339 -8.800 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.503 4.352 -10.844 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.059 4.370 -10.038 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -2.354 6.848 -10.509 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -3.656 6.337 -11.565 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -5.258 6.500 -9.662 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -3.955 7.021 -8.612 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -5.215 8.898 -9.442 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -3.624 8.962 -10.032 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -4.887 8.457 -11.049 1.00 2.40 H new ATOM 712 N SER A 50 -0.008 2.596 -9.226 1.00 0.28 N ATOM 713 CA SER A 50 0.844 1.917 -10.197 1.00 0.35 C ATOM 714 C SER A 50 2.094 1.336 -9.540 1.00 0.28 C ATOM 715 O SER A 50 2.369 1.586 -8.365 1.00 0.25 O ATOM 716 CB SER A 50 1.246 2.882 -11.314 1.00 0.49 C ATOM 717 OG SER A 50 0.108 3.365 -12.005 1.00 1.28 O ATOM 0 H SER A 50 0.495 3.041 -8.458 1.00 0.28 H new ATOM 0 HA SER A 50 0.270 1.092 -10.619 1.00 0.35 H new ATOM 0 HB2 SER A 50 1.802 3.720 -10.893 1.00 0.49 H new ATOM 0 HB3 SER A 50 1.912 2.377 -12.013 1.00 0.49 H new ATOM 0 HG SER A 50 0.392 3.981 -12.713 1.00 1.28 H new ATOM 723 N LEU A 51 2.846 0.560 -10.317 1.00 0.32 N ATOM 724 CA LEU A 51 4.071 -0.067 -9.830 1.00 0.27 C ATOM 725 C LEU A 51 5.216 0.146 -10.816 1.00 0.27 C ATOM 726 O LEU A 51 4.997 0.536 -11.963 1.00 0.42 O ATOM 727 CB LEU A 51 3.851 -1.565 -9.612 1.00 0.30 C ATOM 728 CG LEU A 51 2.855 -1.930 -8.509 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.586 -3.426 -8.511 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.376 -1.484 -7.150 1.00 0.32 C ATOM 0 H LEU A 51 2.627 0.350 -11.291 1.00 0.32 H new ATOM 0 HA LEU A 51 4.335 0.398 -8.880 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.507 -2.004 -10.548 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.811 -2.025 -9.378 1.00 0.30 H new ATOM 0 HG LEU A 51 1.917 -1.410 -8.705 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.876 -3.669 -7.721 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.171 -3.720 -9.475 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.518 -3.964 -8.339 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.655 -1.752 -6.378 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.326 -1.977 -6.945 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.520 -0.404 -7.152 1.00 0.32 H new ATOM 742 N ILE A 52 6.439 -0.115 -10.361 1.00 0.24 N ATOM 743 CA ILE A 52 7.619 0.043 -11.202 1.00 0.24 C ATOM 744 C ILE A 52 8.173 -1.318 -11.629 1.00 0.23 C ATOM 745 O ILE A 52 8.803 -2.011 -10.829 1.00 0.28 O ATOM 746 CB ILE A 52 8.730 0.824 -10.469 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.186 2.144 -9.911 1.00 0.36 C ATOM 748 CG2 ILE A 52 9.907 1.080 -11.400 1.00 0.31 C ATOM 749 CD1 ILE A 52 7.578 3.051 -10.961 1.00 1.26 C ATOM 0 H ILE A 52 6.637 -0.437 -9.414 1.00 0.24 H new ATOM 0 HA ILE A 52 7.308 0.604 -12.084 1.00 0.24 H new ATOM 0 HB ILE A 52 9.079 0.218 -9.633 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.432 1.924 -9.155 1.00 0.36 H new ATOM 0 HG13 ILE A 52 8.995 2.676 -9.410 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.680 1.632 -10.866 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.312 0.128 -11.744 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.572 1.663 -12.258 1.00 0.31 H new ATOM 0 HD11 ILE A 52 7.216 3.964 -10.488 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.333 3.303 -11.705 1.00 1.26 H new ATOM 0 HD13 ILE A 52 6.747 2.540 -11.446 1.00 1.26 H new ATOM 761 N PRO A 53 7.947 -1.723 -12.897 1.00 0.31 N ATOM 762 CA PRO A 53 8.434 -3.008 -13.411 1.00 0.35 C ATOM 763 C PRO A 53 9.939 -3.177 -13.223 1.00 0.34 C ATOM 764 O PRO A 53 10.721 -2.295 -13.581 1.00 0.46 O ATOM 765 CB PRO A 53 8.087 -2.959 -14.900 1.00 0.43 C ATOM 766 CG PRO A 53 6.963 -1.988 -15.000 1.00 0.82 C ATOM 767 CD PRO A 53 7.201 -0.968 -13.922 1.00 0.47 C ATOM 0 HA PRO A 53 7.983 -3.849 -12.884 1.00 0.35 H new ATOM 0 HB2 PRO A 53 8.942 -2.636 -15.494 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.794 -3.942 -15.270 1.00 0.43 H new ATOM 0 HG2 PRO A 53 6.939 -1.518 -15.983 1.00 0.82 H new ATOM 0 HG3 PRO A 53 6.003 -2.486 -14.861 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.775 -0.118 -14.292 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.264 -0.573 -13.528 1.00 0.47 H new ATOM 775 N GLY A 54 10.337 -4.314 -12.658 1.00 0.39 N ATOM 776 CA GLY A 54 11.746 -4.579 -12.436 1.00 0.41 C ATOM 777 C GLY A 54 12.185 -4.268 -11.019 1.00 0.39 C ATOM 778 O GLY A 54 13.355 -4.437 -10.675 1.00 0.49 O ATOM 0 H GLY A 54 9.708 -5.056 -12.350 1.00 0.39 H new ATOM 0 HA2 GLY A 54 11.953 -5.627 -12.654 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.337 -3.985 -13.133 1.00 0.41 H new ATOM 782 N SER A 55 11.247 -3.817 -10.193 1.00 0.35 N ATOM 783 CA SER A 55 11.548 -3.480 -8.806 1.00 0.35 C ATOM 784 C SER A 55 11.120 -4.603 -7.865 1.00 0.32 C ATOM 785 O SER A 55 10.445 -5.545 -8.279 1.00 0.36 O ATOM 786 CB SER A 55 10.855 -2.175 -8.414 1.00 0.37 C ATOM 787 OG SER A 55 11.234 -1.769 -7.111 1.00 1.23 O ATOM 0 H SER A 55 10.273 -3.676 -10.459 1.00 0.35 H new ATOM 0 HA SER A 55 12.627 -3.350 -8.717 1.00 0.35 H new ATOM 0 HB2 SER A 55 11.110 -1.394 -9.130 1.00 0.37 H new ATOM 0 HB3 SER A 55 9.774 -2.306 -8.458 1.00 0.37 H new ATOM 0 HG SER A 55 11.513 -0.830 -7.129 1.00 1.23 H new ATOM 793 N ALA A 56 11.513 -4.491 -6.599 1.00 0.35 N ATOM 794 CA ALA A 56 11.180 -5.499 -5.596 1.00 0.36 C ATOM 795 C ALA A 56 9.684 -5.800 -5.575 1.00 0.32 C ATOM 796 O ALA A 56 9.270 -6.943 -5.772 1.00 0.34 O ATOM 797 CB ALA A 56 11.644 -5.043 -4.220 1.00 0.42 C ATOM 0 H ALA A 56 12.064 -3.710 -6.242 1.00 0.35 H new ATOM 0 HA ALA A 56 11.699 -6.419 -5.864 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.390 -5.802 -3.480 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.724 -4.894 -4.231 1.00 0.42 H new ATOM 0 HB3 ALA A 56 11.151 -4.106 -3.962 1.00 0.42 H new ATOM 803 N ALA A 57 8.880 -4.769 -5.332 1.00 0.30 N ATOM 804 CA ALA A 57 7.430 -4.923 -5.280 1.00 0.30 C ATOM 805 C ALA A 57 6.885 -5.529 -6.570 1.00 0.30 C ATOM 806 O ALA A 57 5.894 -6.260 -6.552 1.00 0.35 O ATOM 807 CB ALA A 57 6.768 -3.580 -5.015 1.00 0.32 C ATOM 0 H ALA A 57 9.209 -3.817 -5.168 1.00 0.30 H new ATOM 0 HA ALA A 57 7.197 -5.607 -4.463 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.686 -3.708 -4.979 1.00 0.32 H new ATOM 0 HB2 ALA A 57 7.119 -3.183 -4.062 1.00 0.32 H new ATOM 0 HB3 ALA A 57 7.024 -2.884 -5.814 1.00 0.32 H new ATOM 813 N ALA A 58 7.537 -5.222 -7.688 1.00 0.31 N ATOM 814 CA ALA A 58 7.113 -5.736 -8.986 1.00 0.33 C ATOM 815 C ALA A 58 7.502 -7.201 -9.157 1.00 0.34 C ATOM 816 O ALA A 58 6.883 -7.930 -9.931 1.00 0.44 O ATOM 817 CB ALA A 58 7.707 -4.895 -10.106 1.00 0.37 C ATOM 0 H ALA A 58 8.360 -4.620 -7.721 1.00 0.31 H new ATOM 0 HA ALA A 58 6.026 -5.672 -9.034 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.382 -5.290 -11.069 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.370 -3.863 -10.004 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.795 -4.928 -10.048 1.00 0.37 H new ATOM 823 N LEU A 59 8.532 -7.626 -8.429 1.00 0.35 N ATOM 824 CA LEU A 59 9.003 -9.006 -8.503 1.00 0.39 C ATOM 825 C LEU A 59 8.054 -9.948 -7.771 1.00 0.42 C ATOM 826 O LEU A 59 7.819 -11.074 -8.214 1.00 0.57 O ATOM 827 CB LEU A 59 10.412 -9.122 -7.916 1.00 0.47 C ATOM 828 CG LEU A 59 11.517 -8.464 -8.745 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.834 -8.478 -7.985 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.669 -9.168 -10.086 1.00 0.61 C ATOM 0 H LEU A 59 9.055 -7.036 -7.782 1.00 0.35 H new ATOM 0 HA LEU A 59 9.031 -9.295 -9.554 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.412 -8.677 -6.921 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.652 -10.178 -7.793 1.00 0.47 H new ATOM 0 HG LEU A 59 11.237 -7.427 -8.930 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.608 -8.006 -8.590 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.720 -7.930 -7.050 1.00 0.66 H new ATOM 0 HD13 LEU A 59 13.119 -9.508 -7.770 1.00 0.66 H new ATOM 0 HD21 LEU A 59 12.459 -8.687 -10.662 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.926 -10.214 -9.921 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.730 -9.108 -10.637 1.00 0.61 H new ATOM 842 N ASP A 60 7.512 -9.486 -6.647 1.00 0.44 N ATOM 843 CA ASP A 60 6.585 -10.292 -5.858 1.00 0.52 C ATOM 844 C ASP A 60 5.388 -10.725 -6.699 1.00 0.61 C ATOM 845 O ASP A 60 4.997 -11.893 -6.684 1.00 0.79 O ATOM 846 CB ASP A 60 6.108 -9.512 -4.633 1.00 0.74 C ATOM 847 CG ASP A 60 7.218 -9.285 -3.625 1.00 1.08 C ATOM 848 OD1 ASP A 60 8.074 -8.411 -3.871 1.00 1.32 O ATOM 849 OD2 ASP A 60 7.228 -9.981 -2.587 1.00 1.86 O ATOM 0 H ASP A 60 7.698 -8.560 -6.263 1.00 0.44 H new ATOM 0 HA ASP A 60 7.114 -11.185 -5.525 1.00 0.52 H new ATOM 0 HB2 ASP A 60 5.708 -8.550 -4.952 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.292 -10.054 -4.155 1.00 0.74 H new ATOM 854 N GLY A 61 4.813 -9.776 -7.430 1.00 0.72 N ATOM 855 CA GLY A 61 3.668 -10.074 -8.272 1.00 1.06 C ATOM 856 C GLY A 61 2.361 -10.074 -7.504 1.00 0.83 C ATOM 857 O GLY A 61 1.324 -9.676 -8.034 1.00 0.94 O ATOM 0 H GLY A 61 5.120 -8.804 -7.455 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.612 -9.340 -9.076 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.810 -11.048 -8.740 1.00 1.06 H new ATOM 861 N ARG A 62 2.411 -10.522 -6.252 1.00 0.63 N ATOM 862 CA ARG A 62 1.223 -10.573 -5.410 1.00 0.59 C ATOM 863 C ARG A 62 0.693 -9.172 -5.123 1.00 0.52 C ATOM 864 O ARG A 62 -0.461 -9.005 -4.728 1.00 0.69 O ATOM 865 CB ARG A 62 1.531 -11.295 -4.097 1.00 0.67 C ATOM 866 CG ARG A 62 1.804 -12.781 -4.270 1.00 0.81 C ATOM 867 CD ARG A 62 2.010 -13.472 -2.930 1.00 1.05 C ATOM 868 NE ARG A 62 3.236 -13.034 -2.269 1.00 1.31 N ATOM 869 CZ ARG A 62 3.753 -13.635 -1.200 1.00 1.93 C ATOM 870 NH1 ARG A 62 3.147 -14.688 -0.668 1.00 2.26 N ATOM 871 NH2 ARG A 62 4.877 -13.182 -0.661 1.00 2.59 N ATOM 0 H ARG A 62 3.263 -10.855 -5.800 1.00 0.63 H new ATOM 0 HA ARG A 62 0.454 -11.127 -5.949 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.397 -10.827 -3.629 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.691 -11.165 -3.415 1.00 0.67 H new ATOM 0 HG2 ARG A 62 0.970 -13.246 -4.795 1.00 0.81 H new ATOM 0 HG3 ARG A 62 2.689 -12.919 -4.891 1.00 0.81 H new ATOM 0 HD2 ARG A 62 1.157 -13.268 -2.283 1.00 1.05 H new ATOM 0 HD3 ARG A 62 2.045 -14.551 -3.081 1.00 1.05 H new ATOM 0 HE ARG A 62 3.723 -12.222 -2.648 1.00 1.31 H new ATOM 0 HH11 ARG A 62 2.282 -15.040 -1.078 1.00 2.26 H new ATOM 0 HH12 ARG A 62 3.546 -15.146 0.151 1.00 2.26 H new ATOM 0 HH21 ARG A 62 5.346 -12.372 -1.066 1.00 2.59 H new ATOM 0 HH22 ARG A 62 5.272 -13.644 0.158 1.00 2.59 H new ATOM 885 N ILE A 63 1.541 -8.167 -5.322 1.00 0.48 N ATOM 886 CA ILE A 63 1.151 -6.781 -5.085 1.00 0.48 C ATOM 887 C ILE A 63 0.501 -6.179 -6.325 1.00 0.49 C ATOM 888 O ILE A 63 1.169 -5.917 -7.324 1.00 0.59 O ATOM 889 CB ILE A 63 2.360 -5.917 -4.678 1.00 0.58 C ATOM 890 CG1 ILE A 63 3.045 -6.513 -3.447 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.920 -4.483 -4.407 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.321 -5.800 -3.056 1.00 0.92 C ATOM 0 H ILE A 63 2.501 -8.286 -5.646 1.00 0.48 H new ATOM 0 HA ILE A 63 0.432 -6.788 -4.266 1.00 0.48 H new ATOM 0 HB ILE A 63 3.076 -5.906 -5.500 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.351 -6.485 -2.607 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.270 -7.562 -3.639 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.785 -3.885 -4.121 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.471 -4.064 -5.307 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.189 -4.473 -3.599 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.750 -6.278 -2.175 1.00 0.92 H new ATOM 0 HD12 ILE A 63 5.033 -5.851 -3.880 1.00 0.92 H new ATOM 0 HD13 ILE A 63 4.100 -4.757 -2.831 1.00 0.92 H new ATOM 904 N GLU A 64 -0.807 -5.960 -6.249 1.00 0.51 N ATOM 905 CA GLU A 64 -1.552 -5.388 -7.364 1.00 0.58 C ATOM 906 C GLU A 64 -1.424 -3.864 -7.368 1.00 0.56 C ATOM 907 O GLU A 64 -1.478 -3.235 -6.311 1.00 0.66 O ATOM 908 CB GLU A 64 -3.026 -5.793 -7.273 1.00 0.79 C ATOM 909 CG GLU A 64 -3.855 -5.357 -8.471 1.00 1.09 C ATOM 910 CD GLU A 64 -5.291 -5.837 -8.395 1.00 1.39 C ATOM 911 OE1 GLU A 64 -5.538 -7.022 -8.703 1.00 1.67 O ATOM 912 OE2 GLU A 64 -6.168 -5.029 -8.025 1.00 1.98 O ATOM 0 H GLU A 64 -1.373 -6.170 -5.427 1.00 0.51 H new ATOM 0 HA GLU A 64 -1.135 -5.773 -8.295 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -3.090 -6.876 -7.173 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.457 -5.363 -6.369 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.843 -4.269 -8.539 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -3.396 -5.739 -9.383 1.00 1.09 H new ATOM 919 N PRO A 65 -1.239 -3.246 -8.554 1.00 0.56 N ATOM 920 CA PRO A 65 -1.103 -1.791 -8.670 1.00 0.64 C ATOM 921 C PRO A 65 -2.442 -1.066 -8.543 1.00 0.72 C ATOM 922 O PRO A 65 -2.812 -0.270 -9.406 1.00 1.44 O ATOM 923 CB PRO A 65 -0.527 -1.610 -10.073 1.00 0.77 C ATOM 924 CG PRO A 65 -1.056 -2.767 -10.844 1.00 0.83 C ATOM 925 CD PRO A 65 -1.138 -3.913 -9.870 1.00 0.62 C ATOM 0 HA PRO A 65 -0.483 -1.372 -7.878 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -0.841 -0.663 -10.512 1.00 0.77 H new ATOM 0 HB3 PRO A 65 0.563 -1.608 -10.058 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -2.036 -2.541 -11.264 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -0.400 -3.011 -11.680 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -2.004 -4.545 -10.067 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.257 -4.552 -9.929 1.00 0.62 H new ATOM 933 N ASN A 66 -3.161 -1.349 -7.460 1.00 0.60 N ATOM 934 CA ASN A 66 -4.459 -0.729 -7.211 1.00 0.59 C ATOM 935 C ASN A 66 -4.992 -1.135 -5.839 1.00 0.51 C ATOM 936 O ASN A 66 -5.935 -1.919 -5.734 1.00 0.73 O ATOM 937 CB ASN A 66 -5.458 -1.126 -8.301 1.00 0.66 C ATOM 938 CG ASN A 66 -6.799 -0.434 -8.144 1.00 1.34 C ATOM 939 OD1 ASN A 66 -6.775 0.804 -7.664 1.00 2.15 O flip ATOM 940 ND2 ASN A 66 -7.843 -1.005 -8.456 1.00 2.01 N flip ATOM 0 H ASN A 66 -2.865 -2.006 -6.738 1.00 0.60 H new ATOM 0 HA ASN A 66 -4.331 0.353 -7.229 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -5.040 -0.883 -9.278 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -5.606 -2.206 -8.278 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -7.814 -1.957 -8.821 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -8.737 -0.526 -8.350 1.00 2.01 H new ATOM 947 N ASP A 67 -4.378 -0.597 -4.789 1.00 0.36 N ATOM 948 CA ASP A 67 -4.788 -0.905 -3.422 1.00 0.34 C ATOM 949 C ASP A 67 -4.624 0.311 -2.520 1.00 0.30 C ATOM 950 O ASP A 67 -4.032 1.315 -2.919 1.00 0.38 O ATOM 951 CB ASP A 67 -3.968 -2.073 -2.872 1.00 0.41 C ATOM 952 CG ASP A 67 -2.483 -1.771 -2.834 1.00 1.17 C ATOM 953 OD1 ASP A 67 -2.042 -1.077 -1.893 1.00 1.46 O ATOM 954 OD2 ASP A 67 -1.759 -2.229 -3.743 1.00 2.02 O ATOM 0 H ASP A 67 -3.596 0.054 -4.858 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.841 -1.185 -3.440 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -4.313 -2.313 -1.866 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -4.141 -2.956 -3.488 1.00 0.41 H new ATOM 959 N LYS A 68 -5.148 0.216 -1.301 1.00 0.27 N ATOM 960 CA LYS A 68 -5.056 1.313 -0.346 1.00 0.28 C ATOM 961 C LYS A 68 -4.123 0.958 0.807 1.00 0.26 C ATOM 962 O LYS A 68 -4.463 0.145 1.667 1.00 0.38 O ATOM 963 CB LYS A 68 -6.445 1.662 0.195 1.00 0.37 C ATOM 964 CG LYS A 68 -6.439 2.809 1.193 1.00 0.53 C ATOM 965 CD LYS A 68 -7.841 3.122 1.690 1.00 0.53 C ATOM 966 CE LYS A 68 -7.823 4.214 2.748 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.191 4.528 3.244 1.00 1.02 N ATOM 0 H LYS A 68 -5.639 -0.608 -0.953 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.646 2.179 -0.865 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.096 1.921 -0.640 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.873 0.780 0.671 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.801 2.554 2.039 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.011 3.696 0.727 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.464 3.435 0.852 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.292 2.220 2.103 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.197 3.900 3.583 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.372 5.115 2.332 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.136 5.277 3.964 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.782 4.852 2.452 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.612 3.675 3.664 1.00 1.02 H new ATOM 981 N ILE A 69 -2.944 1.574 0.818 1.00 0.24 N ATOM 982 CA ILE A 69 -1.962 1.328 1.867 1.00 0.21 C ATOM 983 C ILE A 69 -2.503 1.761 3.225 1.00 0.21 C ATOM 984 O ILE A 69 -3.205 2.767 3.331 1.00 0.29 O ATOM 985 CB ILE A 69 -0.641 2.076 1.587 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.113 1.729 0.190 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.398 1.746 2.650 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.183 0.255 -0.006 1.00 0.28 C ATOM 0 H ILE A 69 -2.646 2.247 0.112 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.764 0.256 1.879 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.838 3.147 1.624 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.845 2.044 -0.553 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.797 2.300 0.004 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.322 2.283 2.435 1.00 0.23 H new ATOM 0 HG22 ILE A 69 0.024 2.045 3.629 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.593 0.674 2.648 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.552 0.089 -1.018 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.939 -0.063 0.712 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.729 -0.323 0.147 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.176 0.995 4.260 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.636 1.303 5.610 1.00 0.21 C ATOM 1002 C LEU A 70 -1.462 1.493 6.565 1.00 0.20 C ATOM 1003 O LEU A 70 -1.306 2.555 7.171 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.550 0.188 6.125 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.847 -0.008 5.335 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.586 -1.245 5.822 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.737 1.221 5.451 1.00 0.38 C ATOM 0 H LEU A 70 -1.596 0.159 4.191 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.196 2.237 5.567 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.993 -0.749 6.117 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.804 0.399 7.164 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.590 -0.149 4.285 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.505 -1.369 5.249 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.954 -2.123 5.688 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.829 -1.131 6.878 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.653 1.062 4.883 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -5.985 1.393 6.498 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.211 2.090 5.055 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.638 0.459 6.699 1.00 0.20 N ATOM 1020 CA ARG A 71 0.513 0.518 7.592 1.00 0.25 C ATOM 1021 C ARG A 71 1.721 -0.198 6.998 1.00 0.18 C ATOM 1022 O ARG A 71 1.590 -1.248 6.368 1.00 0.26 O ATOM 1023 CB ARG A 71 0.160 -0.106 8.944 1.00 0.38 C ATOM 1024 CG ARG A 71 -1.012 0.567 9.640 1.00 0.91 C ATOM 1025 CD ARG A 71 -1.393 -0.160 10.918 1.00 0.77 C ATOM 1026 NE ARG A 71 -0.291 -0.200 11.877 1.00 1.38 N ATOM 1027 CZ ARG A 71 -0.366 -0.796 13.062 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -1.486 -1.403 13.434 1.00 1.17 N ATOM 1029 NH2 ARG A 71 0.680 -0.788 13.877 1.00 2.61 N ATOM 0 H ARG A 71 -0.745 -0.426 6.203 1.00 0.20 H new ATOM 0 HA ARG A 71 0.774 1.568 7.728 1.00 0.25 H new ATOM 0 HB2 ARG A 71 -0.073 -1.161 8.798 1.00 0.38 H new ATOM 0 HB3 ARG A 71 1.033 -0.059 9.595 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -0.754 1.601 9.871 1.00 0.91 H new ATOM 0 HG3 ARG A 71 -1.869 0.595 8.967 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -2.251 0.334 11.373 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -1.701 -1.178 10.678 1.00 0.77 H new ATOM 0 HE ARG A 71 0.585 0.255 11.622 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -2.292 -1.413 12.809 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -1.540 -1.860 14.344 1.00 1.17 H new ATOM 0 HH21 ARG A 71 1.543 -0.324 13.594 1.00 2.61 H new ATOM 0 HH22 ARG A 71 0.621 -1.246 14.787 1.00 2.61 H new ATOM 1043 N VAL A 72 2.897 0.385 7.200 1.00 0.21 N ATOM 1044 CA VAL A 72 4.142 -0.195 6.712 1.00 0.17 C ATOM 1045 C VAL A 72 4.893 -0.847 7.870 1.00 0.17 C ATOM 1046 O VAL A 72 4.464 -0.748 9.017 1.00 0.20 O ATOM 1047 CB VAL A 72 5.035 0.880 6.050 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.128 0.243 5.204 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.193 1.831 5.212 1.00 0.28 C ATOM 0 H VAL A 72 3.014 1.265 7.702 1.00 0.21 H new ATOM 0 HA VAL A 72 3.899 -0.947 5.961 1.00 0.17 H new ATOM 0 HB VAL A 72 5.517 1.451 6.843 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.739 1.024 4.752 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.754 -0.389 5.834 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.674 -0.363 4.420 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.838 2.581 4.754 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.678 1.270 4.432 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.459 2.324 5.849 1.00 0.28 H new ATOM 1059 N ASP A 73 5.994 -1.531 7.571 1.00 0.18 N ATOM 1060 CA ASP A 73 6.795 -2.185 8.606 1.00 0.21 C ATOM 1061 C ASP A 73 7.058 -1.248 9.785 1.00 0.22 C ATOM 1062 O ASP A 73 7.833 -0.298 9.673 1.00 0.23 O ATOM 1063 CB ASP A 73 8.126 -2.650 8.019 1.00 0.26 C ATOM 1064 CG ASP A 73 8.860 -3.610 8.934 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.521 -4.813 8.926 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.775 -3.161 9.656 1.00 0.56 O ATOM 0 H ASP A 73 6.353 -1.648 6.623 1.00 0.18 H new ATOM 0 HA ASP A 73 6.231 -3.044 8.970 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.947 -3.134 7.059 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.757 -1.783 7.826 1.00 0.26 H new ATOM 1071 N ASP A 74 6.411 -1.528 10.915 1.00 0.25 N ATOM 1072 CA ASP A 74 6.576 -0.720 12.124 1.00 0.29 C ATOM 1073 C ASP A 74 6.283 0.755 11.858 1.00 0.25 C ATOM 1074 O ASP A 74 6.863 1.636 12.495 1.00 0.29 O ATOM 1075 CB ASP A 74 7.994 -0.878 12.676 1.00 0.35 C ATOM 1076 CG ASP A 74 8.304 -2.306 13.080 1.00 1.20 C ATOM 1077 OD1 ASP A 74 8.689 -3.101 12.198 1.00 2.01 O ATOM 1078 OD2 ASP A 74 8.162 -2.628 14.279 1.00 1.34 O ATOM 0 H ASP A 74 5.765 -2.311 11.019 1.00 0.25 H new ATOM 0 HA ASP A 74 5.858 -1.078 12.862 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.712 -0.553 11.923 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.119 -0.224 13.539 1.00 0.35 H new ATOM 1083 N VAL A 75 5.379 1.017 10.920 1.00 0.27 N ATOM 1084 CA VAL A 75 5.009 2.386 10.568 1.00 0.27 C ATOM 1085 C VAL A 75 3.530 2.472 10.194 1.00 0.37 C ATOM 1086 O VAL A 75 2.958 1.522 9.660 1.00 0.79 O ATOM 1087 CB VAL A 75 5.857 2.919 9.392 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.426 4.327 9.008 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.338 2.893 9.739 1.00 0.41 C ATOM 0 H VAL A 75 4.887 0.299 10.388 1.00 0.27 H new ATOM 0 HA VAL A 75 5.199 3.001 11.447 1.00 0.27 H new ATOM 0 HB VAL A 75 5.693 2.265 8.536 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.037 4.681 8.178 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.378 4.318 8.709 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.554 4.992 9.862 1.00 0.40 H new ATOM 0 HG21 VAL A 75 7.916 3.273 8.896 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.518 3.518 10.613 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.643 1.869 9.956 1.00 0.41 H new ATOM 1099 N ASN A 76 2.917 3.616 10.486 1.00 0.30 N ATOM 1100 CA ASN A 76 1.509 3.837 10.174 1.00 0.37 C ATOM 1101 C ASN A 76 1.349 5.030 9.235 1.00 0.42 C ATOM 1102 O ASN A 76 1.706 6.156 9.584 1.00 0.58 O ATOM 1103 CB ASN A 76 0.712 4.070 11.460 1.00 0.46 C ATOM 1104 CG ASN A 76 -0.726 4.465 11.188 1.00 1.35 C ATOM 1105 OD1 ASN A 76 -1.044 5.648 11.065 1.00 2.24 O ATOM 1106 ND2 ASN A 76 -1.605 3.474 11.094 1.00 2.08 N ATOM 0 H ASN A 76 3.375 4.406 10.940 1.00 0.30 H new ATOM 0 HA ASN A 76 1.123 2.948 9.675 1.00 0.37 H new ATOM 0 HB2 ASN A 76 0.728 3.162 12.063 1.00 0.46 H new ATOM 0 HB3 ASN A 76 1.195 4.851 12.047 1.00 0.46 H new ATOM 0 HD21 ASN A 76 -2.588 3.679 10.913 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -1.298 2.508 11.203 1.00 2.08 H new ATOM 1113 N VAL A 77 0.809 4.780 8.044 1.00 0.35 N ATOM 1114 CA VAL A 77 0.617 5.839 7.058 1.00 0.43 C ATOM 1115 C VAL A 77 -0.837 6.299 7.009 1.00 0.53 C ATOM 1116 O VAL A 77 -1.303 6.813 5.992 1.00 0.67 O ATOM 1117 CB VAL A 77 1.055 5.385 5.652 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.516 4.964 5.661 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.171 4.253 5.150 1.00 0.53 C ATOM 0 H VAL A 77 0.498 3.857 7.740 1.00 0.35 H new ATOM 0 HA VAL A 77 1.242 6.675 7.371 1.00 0.43 H new ATOM 0 HB VAL A 77 0.944 6.228 4.969 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.809 4.646 4.660 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.135 5.806 5.970 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.652 4.138 6.359 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.499 3.949 4.156 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.244 3.405 5.831 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.864 4.593 5.103 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.548 6.112 8.115 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.947 6.509 8.200 1.00 0.72 C ATOM 1131 C GLN A 78 -3.077 7.925 8.756 1.00 0.61 C ATOM 1132 O GLN A 78 -3.943 8.200 9.587 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.726 5.525 9.075 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.861 4.142 8.458 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.670 4.153 7.175 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.993 4.350 6.050 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.889 3.987 7.196 1.00 1.05 N flip ATOM 0 H GLN A 78 -1.178 5.688 8.965 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.367 6.496 7.194 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.228 5.437 10.041 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.721 5.928 9.265 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.868 3.741 8.254 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.334 3.472 9.176 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.368 3.839 8.084 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.420 3.997 6.325 1.00 1.05 H new ATOM 1146 N GLY A 79 -2.210 8.820 8.289 1.00 0.48 N ATOM 1147 CA GLY A 79 -2.247 10.197 8.749 1.00 0.48 C ATOM 1148 C GLY A 79 -0.929 10.923 8.547 1.00 0.41 C ATOM 1149 O GLY A 79 -0.531 11.738 9.379 1.00 0.55 O ATOM 0 H GLY A 79 -1.484 8.616 7.602 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -3.035 10.731 8.218 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.507 10.214 9.807 1.00 0.48 H new ATOM 1153 N MET A 80 -0.250 10.630 7.440 1.00 0.32 N ATOM 1154 CA MET A 80 1.026 11.270 7.137 1.00 0.33 C ATOM 1155 C MET A 80 1.043 11.790 5.705 1.00 0.30 C ATOM 1156 O MET A 80 0.438 11.197 4.811 1.00 0.34 O ATOM 1157 CB MET A 80 2.183 10.291 7.349 1.00 0.39 C ATOM 1158 CG MET A 80 2.316 9.806 8.783 1.00 0.46 C ATOM 1159 SD MET A 80 3.890 8.983 9.099 1.00 0.52 S ATOM 1160 CE MET A 80 3.852 7.680 7.870 1.00 0.48 C ATOM 0 H MET A 80 -0.561 9.956 6.741 1.00 0.32 H new ATOM 0 HA MET A 80 1.149 12.113 7.816 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.044 9.430 6.695 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.114 10.772 7.049 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.212 10.654 9.460 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.500 9.118 9.006 1.00 0.46 H new ATOM 0 HE1 MET A 80 3.796 6.712 8.368 1.00 0.48 H new ATOM 0 HE2 MET A 80 2.980 7.809 7.229 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.757 7.725 7.264 1.00 0.48 H new ATOM 1170 N ALA A 81 1.743 12.902 5.495 1.00 0.29 N ATOM 1171 CA ALA A 81 1.842 13.505 4.172 1.00 0.31 C ATOM 1172 C ALA A 81 2.364 12.502 3.152 1.00 0.26 C ATOM 1173 O ALA A 81 3.231 11.685 3.465 1.00 0.23 O ATOM 1174 CB ALA A 81 2.739 14.733 4.216 1.00 0.39 C ATOM 0 H ALA A 81 2.250 13.403 6.225 1.00 0.29 H new ATOM 0 HA ALA A 81 0.843 13.812 3.863 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.803 15.172 3.221 1.00 0.39 H new ATOM 0 HB2 ALA A 81 2.322 15.464 4.909 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.735 14.444 4.550 1.00 0.39 H new ATOM 1180 N GLN A 82 1.832 12.563 1.935 1.00 0.33 N ATOM 1181 CA GLN A 82 2.242 11.653 0.870 1.00 0.35 C ATOM 1182 C GLN A 82 3.762 11.577 0.770 1.00 0.31 C ATOM 1183 O GLN A 82 4.345 10.492 0.826 1.00 0.31 O ATOM 1184 CB GLN A 82 1.655 12.106 -0.467 1.00 0.42 C ATOM 1185 CG GLN A 82 1.900 11.126 -1.603 1.00 0.51 C ATOM 1186 CD GLN A 82 1.286 11.589 -2.909 1.00 0.76 C ATOM 1187 OE1 GLN A 82 0.283 12.303 -2.917 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.882 11.181 -4.022 1.00 0.74 N ATOM 0 H GLN A 82 1.115 13.234 1.661 1.00 0.33 H new ATOM 0 HA GLN A 82 1.863 10.660 1.110 1.00 0.35 H new ATOM 0 HB2 GLN A 82 0.581 12.254 -0.351 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.083 13.072 -0.733 1.00 0.42 H new ATOM 0 HG2 GLN A 82 2.973 10.991 -1.737 1.00 0.51 H new ATOM 0 HG3 GLN A 82 1.487 10.153 -1.335 1.00 0.51 H new ATOM 0 HE21 GLN A 82 2.712 10.590 -3.969 1.00 0.74 H new ATOM 0 HE22 GLN A 82 1.511 11.459 -4.931 1.00 0.74 H new ATOM 1197 N SER A 83 4.395 12.737 0.628 1.00 0.32 N ATOM 1198 CA SER A 83 5.847 12.812 0.519 1.00 0.35 C ATOM 1199 C SER A 83 6.520 12.106 1.692 1.00 0.30 C ATOM 1200 O SER A 83 7.496 11.377 1.512 1.00 0.35 O ATOM 1201 CB SER A 83 6.298 14.272 0.461 1.00 0.44 C ATOM 1202 OG SER A 83 5.743 14.934 -0.663 1.00 1.48 O ATOM 0 H SER A 83 3.923 13.640 0.586 1.00 0.32 H new ATOM 0 HA SER A 83 6.144 12.309 -0.401 1.00 0.35 H new ATOM 0 HB2 SER A 83 5.997 14.785 1.374 1.00 0.44 H new ATOM 0 HB3 SER A 83 7.386 14.318 0.413 1.00 0.44 H new ATOM 0 HG SER A 83 6.045 15.866 -0.676 1.00 1.48 H new ATOM 1208 N ASP A 84 5.990 12.327 2.891 1.00 0.24 N ATOM 1209 CA ASP A 84 6.537 11.713 4.095 1.00 0.24 C ATOM 1210 C ASP A 84 6.534 10.191 3.982 1.00 0.20 C ATOM 1211 O ASP A 84 7.509 9.530 4.343 1.00 0.24 O ATOM 1212 CB ASP A 84 5.736 12.146 5.323 1.00 0.27 C ATOM 1213 CG ASP A 84 6.298 11.576 6.611 1.00 1.03 C ATOM 1214 OD1 ASP A 84 7.187 12.220 7.207 1.00 0.97 O ATOM 1215 OD2 ASP A 84 5.849 10.486 7.023 1.00 2.12 O ATOM 0 H ASP A 84 5.182 12.927 3.054 1.00 0.24 H new ATOM 0 HA ASP A 84 7.568 12.048 4.205 1.00 0.24 H new ATOM 0 HB2 ASP A 84 5.729 13.234 5.383 1.00 0.27 H new ATOM 0 HB3 ASP A 84 4.700 11.826 5.209 1.00 0.27 H new ATOM 1220 N VAL A 85 5.432 9.642 3.479 1.00 0.19 N ATOM 1221 CA VAL A 85 5.304 8.199 3.317 1.00 0.22 C ATOM 1222 C VAL A 85 6.415 7.656 2.424 1.00 0.21 C ATOM 1223 O VAL A 85 6.990 6.602 2.700 1.00 0.24 O ATOM 1224 CB VAL A 85 3.938 7.816 2.714 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.802 6.304 2.604 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.805 8.397 3.547 1.00 0.30 C ATOM 0 H VAL A 85 4.616 10.175 3.177 1.00 0.19 H new ATOM 0 HA VAL A 85 5.384 7.757 4.310 1.00 0.22 H new ATOM 0 HB VAL A 85 3.878 8.237 1.710 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.831 6.056 2.176 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.592 5.913 1.962 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.886 5.858 3.595 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.848 8.116 3.106 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.864 8.008 4.563 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.890 9.483 3.569 1.00 0.30 H new ATOM 1236 N VAL A 86 6.713 8.385 1.351 1.00 0.22 N ATOM 1237 CA VAL A 86 7.758 7.982 0.420 1.00 0.25 C ATOM 1238 C VAL A 86 9.112 7.922 1.120 1.00 0.24 C ATOM 1239 O VAL A 86 9.927 7.040 0.842 1.00 0.26 O ATOM 1240 CB VAL A 86 7.851 8.944 -0.781 1.00 0.30 C ATOM 1241 CG1 VAL A 86 8.875 8.445 -1.791 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.487 9.114 -1.434 1.00 0.34 C ATOM 0 H VAL A 86 6.244 9.257 1.107 1.00 0.22 H new ATOM 0 HA VAL A 86 7.493 6.991 0.053 1.00 0.25 H new ATOM 0 HB VAL A 86 8.180 9.918 -0.418 1.00 0.30 H new ATOM 0 HG11 VAL A 86 8.925 9.138 -2.631 1.00 0.37 H new ATOM 0 HG12 VAL A 86 9.853 8.380 -1.315 1.00 0.37 H new ATOM 0 HG13 VAL A 86 8.580 7.459 -2.151 1.00 0.37 H new ATOM 0 HG21 VAL A 86 6.571 9.796 -2.280 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.127 8.146 -1.783 1.00 0.34 H new ATOM 0 HG23 VAL A 86 5.784 9.522 -0.708 1.00 0.34 H new ATOM 1252 N GLU A 87 9.344 8.863 2.032 1.00 0.25 N ATOM 1253 CA GLU A 87 10.598 8.913 2.774 1.00 0.26 C ATOM 1254 C GLU A 87 10.815 7.618 3.548 1.00 0.24 C ATOM 1255 O GLU A 87 11.891 7.025 3.493 1.00 0.26 O ATOM 1256 CB GLU A 87 10.606 10.103 3.736 1.00 0.32 C ATOM 1257 CG GLU A 87 10.469 11.450 3.044 1.00 0.75 C ATOM 1258 CD GLU A 87 10.601 12.616 4.006 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.742 13.068 4.235 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.564 13.074 4.529 1.00 1.51 O ATOM 0 H GLU A 87 8.681 9.599 2.274 1.00 0.25 H new ATOM 0 HA GLU A 87 11.411 9.034 2.058 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.791 9.987 4.450 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.534 10.091 4.307 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.231 11.535 2.269 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.501 11.502 2.547 1.00 0.75 H new ATOM 1267 N VAL A 88 9.783 7.186 4.269 1.00 0.22 N ATOM 1268 CA VAL A 88 9.854 5.956 5.052 1.00 0.22 C ATOM 1269 C VAL A 88 10.282 4.776 4.187 1.00 0.23 C ATOM 1270 O VAL A 88 11.241 4.071 4.507 1.00 0.25 O ATOM 1271 CB VAL A 88 8.495 5.625 5.701 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.517 4.234 6.320 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.127 6.672 6.742 1.00 0.27 C ATOM 0 H VAL A 88 8.887 7.670 4.327 1.00 0.22 H new ATOM 0 HA VAL A 88 10.596 6.123 5.833 1.00 0.22 H new ATOM 0 HB VAL A 88 7.734 5.638 4.921 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.548 4.022 6.772 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.726 3.495 5.547 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.292 4.188 7.085 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.165 6.420 7.188 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.891 6.697 7.519 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.061 7.650 6.266 1.00 0.27 H new ATOM 1283 N LEU A 89 9.557 4.565 3.094 1.00 0.24 N ATOM 1284 CA LEU A 89 9.848 3.464 2.184 1.00 0.28 C ATOM 1285 C LEU A 89 11.264 3.564 1.621 1.00 0.32 C ATOM 1286 O LEU A 89 11.889 2.550 1.312 1.00 0.39 O ATOM 1287 CB LEU A 89 8.829 3.445 1.041 1.00 0.32 C ATOM 1288 CG LEU A 89 7.382 3.185 1.467 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.436 3.379 0.292 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.236 1.782 2.041 1.00 0.35 C ATOM 0 H LEU A 89 8.763 5.142 2.817 1.00 0.24 H new ATOM 0 HA LEU A 89 9.776 2.534 2.748 1.00 0.28 H new ATOM 0 HB2 LEU A 89 8.872 4.402 0.520 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.124 2.679 0.324 1.00 0.32 H new ATOM 0 HG LEU A 89 7.120 3.904 2.243 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.412 3.190 0.614 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.518 4.402 -0.076 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.699 2.685 -0.506 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.200 1.616 2.338 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.519 1.049 1.286 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.884 1.675 2.911 1.00 0.35 H new ATOM 1302 N ARG A 90 11.764 4.790 1.491 1.00 0.31 N ATOM 1303 CA ARG A 90 13.107 5.016 0.965 1.00 0.37 C ATOM 1304 C ARG A 90 14.154 4.925 2.071 1.00 0.37 C ATOM 1305 O ARG A 90 15.354 4.884 1.800 1.00 0.48 O ATOM 1306 CB ARG A 90 13.192 6.382 0.278 1.00 0.41 C ATOM 1307 CG ARG A 90 12.371 6.476 -0.997 1.00 0.49 C ATOM 1308 CD ARG A 90 12.487 7.853 -1.632 1.00 0.72 C ATOM 1309 NE ARG A 90 12.038 8.910 -0.731 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.119 10.207 -1.012 1.00 1.59 C ATOM 1311 NH1 ARG A 90 12.635 10.609 -2.167 1.00 1.82 N ATOM 1312 NH2 ARG A 90 11.687 11.106 -0.137 1.00 2.10 N ATOM 0 H ARG A 90 11.260 5.641 1.742 1.00 0.31 H new ATOM 0 HA ARG A 90 13.312 4.236 0.232 1.00 0.37 H new ATOM 0 HB2 ARG A 90 12.855 7.150 0.974 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.235 6.598 0.045 1.00 0.41 H new ATOM 0 HG2 ARG A 90 12.707 5.718 -1.705 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.325 6.263 -0.775 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.523 8.035 -1.916 1.00 0.72 H new ATOM 0 HD3 ARG A 90 11.896 7.881 -2.547 1.00 0.72 H new ATOM 0 HE ARG A 90 11.639 8.638 0.167 1.00 1.00 H new ATOM 0 HH11 ARG A 90 12.971 9.922 -2.842 1.00 1.82 H new ATOM 0 HH12 ARG A 90 12.696 11.605 -2.379 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.292 10.803 0.753 1.00 2.10 H new ATOM 0 HH22 ARG A 90 11.750 12.101 -0.354 1.00 2.10 H new ATOM 1326 N ASN A 91 13.695 4.901 3.319 1.00 0.32 N ATOM 1327 CA ASN A 91 14.597 4.815 4.462 1.00 0.36 C ATOM 1328 C ASN A 91 14.676 3.387 4.996 1.00 0.36 C ATOM 1329 O ASN A 91 15.532 3.074 5.823 1.00 0.42 O ATOM 1330 CB ASN A 91 14.141 5.763 5.574 1.00 0.38 C ATOM 1331 CG ASN A 91 14.238 7.221 5.170 1.00 0.44 C ATOM 1332 OD1 ASN A 91 15.079 7.596 4.351 1.00 1.11 O ATOM 1333 ND2 ASN A 91 13.378 8.054 5.745 1.00 1.14 N ATOM 0 H ASN A 91 12.706 4.940 3.564 1.00 0.32 H new ATOM 0 HA ASN A 91 15.591 5.111 4.126 1.00 0.36 H new ATOM 0 HB2 ASN A 91 13.111 5.532 5.844 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.749 5.594 6.463 1.00 0.38 H new ATOM 0 HD21 ASN A 91 13.398 9.047 5.513 1.00 1.14 H new ATOM 0 HD22 ASN A 91 12.698 7.701 6.418 1.00 1.14 H new ATOM 1340 N ALA A 92 13.775 2.528 4.522 1.00 0.32 N ATOM 1341 CA ALA A 92 13.746 1.131 4.949 1.00 0.34 C ATOM 1342 C ALA A 92 15.114 0.468 4.795 1.00 0.46 C ATOM 1343 O ALA A 92 15.894 0.412 5.746 1.00 0.55 O ATOM 1344 CB ALA A 92 12.694 0.364 4.160 1.00 0.32 C ATOM 0 H ALA A 92 13.056 2.775 3.842 1.00 0.32 H new ATOM 0 HA ALA A 92 13.486 1.110 6.007 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.681 -0.676 4.486 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.714 0.810 4.331 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.933 0.408 3.097 1.00 0.32 H new ATOM 1350 N GLY A 93 15.401 -0.033 3.596 1.00 0.53 N ATOM 1351 CA GLY A 93 16.675 -0.689 3.353 1.00 0.68 C ATOM 1352 C GLY A 93 16.815 -1.982 4.133 1.00 0.66 C ATOM 1353 O GLY A 93 17.919 -2.496 4.310 1.00 0.76 O ATOM 0 H GLY A 93 14.776 0.003 2.791 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.777 -0.897 2.288 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.486 -0.014 3.625 1.00 0.68 H new ATOM 1357 N ASN A 94 15.687 -2.498 4.605 1.00 0.54 N ATOM 1358 CA ASN A 94 15.664 -3.734 5.379 1.00 0.54 C ATOM 1359 C ASN A 94 14.372 -4.509 5.104 1.00 0.43 C ATOM 1360 O ASN A 94 13.463 -3.985 4.458 1.00 0.39 O ATOM 1361 CB ASN A 94 15.768 -3.405 6.870 1.00 0.59 C ATOM 1362 CG ASN A 94 14.607 -2.556 7.343 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.471 -3.197 7.590 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 14.723 -1.338 7.473 1.00 2.52 N flip ATOM 0 H ASN A 94 14.769 -2.076 4.464 1.00 0.54 H new ATOM 0 HA ASN A 94 16.511 -4.354 5.085 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.799 -4.331 7.445 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.704 -2.880 7.061 1.00 0.59 H new ATOM 0 HD21 ASN A 94 15.615 -0.886 7.272 1.00 2.52 H new ATOM 0 HD22 ASN A 94 13.927 -0.780 7.782 1.00 2.52 H new ATOM 1371 N PRO A 95 14.270 -5.775 5.566 1.00 0.41 N ATOM 1372 CA PRO A 95 13.057 -6.578 5.374 1.00 0.35 C ATOM 1373 C PRO A 95 11.838 -5.904 5.997 1.00 0.32 C ATOM 1374 O PRO A 95 11.665 -5.920 7.216 1.00 0.45 O ATOM 1375 CB PRO A 95 13.370 -7.893 6.095 1.00 0.44 C ATOM 1376 CG PRO A 95 14.858 -7.951 6.162 1.00 0.64 C ATOM 1377 CD PRO A 95 15.320 -6.527 6.280 1.00 0.51 C ATOM 0 HA PRO A 95 12.815 -6.714 4.320 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.929 -7.911 7.092 1.00 0.44 H new ATOM 0 HB3 PRO A 95 12.966 -8.747 5.552 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.188 -8.541 7.017 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.271 -8.423 5.271 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.402 -6.215 7.321 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.300 -6.382 5.825 1.00 0.51 H new ATOM 1385 N VAL A 96 10.995 -5.316 5.154 1.00 0.28 N ATOM 1386 CA VAL A 96 9.803 -4.619 5.628 1.00 0.33 C ATOM 1387 C VAL A 96 8.518 -5.335 5.225 1.00 0.28 C ATOM 1388 O VAL A 96 8.470 -6.035 4.214 1.00 0.30 O ATOM 1389 CB VAL A 96 9.753 -3.176 5.089 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.859 -2.337 5.707 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.853 -3.168 3.571 1.00 0.38 C ATOM 0 H VAL A 96 11.114 -5.308 4.141 1.00 0.28 H new ATOM 0 HA VAL A 96 9.871 -4.607 6.716 1.00 0.33 H new ATOM 0 HB VAL A 96 8.795 -2.737 5.369 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.808 -1.321 5.314 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.736 -2.314 6.790 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.827 -2.773 5.461 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.816 -2.140 3.209 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.794 -3.626 3.266 1.00 0.38 H new ATOM 0 HG23 VAL A 96 9.021 -3.732 3.149 1.00 0.38 H new ATOM 1401 N ARG A 97 7.477 -5.146 6.032 1.00 0.24 N ATOM 1402 CA ARG A 97 6.177 -5.746 5.774 1.00 0.22 C ATOM 1403 C ARG A 97 5.220 -4.692 5.231 1.00 0.18 C ATOM 1404 O ARG A 97 5.283 -3.523 5.623 1.00 0.18 O ATOM 1405 CB ARG A 97 5.611 -6.367 7.056 1.00 0.27 C ATOM 1406 CG ARG A 97 4.224 -6.965 6.888 1.00 0.69 C ATOM 1407 CD ARG A 97 3.710 -7.553 8.192 1.00 0.71 C ATOM 1408 NE ARG A 97 2.347 -8.064 8.065 1.00 1.21 N ATOM 1409 CZ ARG A 97 1.640 -8.547 9.083 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.164 -8.584 10.301 1.00 0.88 N ATOM 1411 NH2 ARG A 97 0.406 -8.988 8.884 1.00 2.37 N ATOM 0 H ARG A 97 7.513 -4.576 6.877 1.00 0.24 H new ATOM 0 HA ARG A 97 6.294 -6.535 5.032 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.292 -7.144 7.403 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.576 -5.604 7.833 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.535 -6.196 6.538 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.251 -7.741 6.123 1.00 0.69 H new ATOM 0 HD2 ARG A 97 4.371 -8.359 8.511 1.00 0.71 H new ATOM 0 HD3 ARG A 97 3.740 -6.790 8.970 1.00 0.71 H new ATOM 0 HE ARG A 97 1.912 -8.050 7.142 1.00 1.21 H new ATOM 0 HH11 ARG A 97 3.112 -8.241 10.459 1.00 0.88 H new ATOM 0 HH12 ARG A 97 1.619 -8.955 11.079 1.00 0.88 H new ATOM 0 HH21 ARG A 97 -0.002 -8.957 7.950 1.00 2.37 H new ATOM 0 HH22 ARG A 97 -0.135 -9.358 9.665 1.00 2.37 H new ATOM 1425 N LEU A 98 4.342 -5.108 4.327 1.00 0.19 N ATOM 1426 CA LEU A 98 3.379 -4.196 3.722 1.00 0.18 C ATOM 1427 C LEU A 98 1.948 -4.572 4.105 1.00 0.18 C ATOM 1428 O LEU A 98 1.455 -5.634 3.724 1.00 0.30 O ATOM 1429 CB LEU A 98 3.527 -4.216 2.199 1.00 0.23 C ATOM 1430 CG LEU A 98 4.966 -4.163 1.674 1.00 0.25 C ATOM 1431 CD1 LEU A 98 4.987 -4.365 0.167 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.625 -2.843 2.038 1.00 0.37 C ATOM 0 H LEU A 98 4.277 -6.071 3.997 1.00 0.19 H new ATOM 0 HA LEU A 98 3.582 -3.192 4.096 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.053 -5.120 1.817 1.00 0.23 H new ATOM 0 HB3 LEU A 98 2.977 -3.370 1.787 1.00 0.23 H new ATOM 0 HG LEU A 98 5.530 -4.968 2.144 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.016 -4.325 -0.191 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.556 -5.336 -0.076 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.404 -3.579 -0.314 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.645 -2.828 1.655 1.00 0.37 H new ATOM 0 HD22 LEU A 98 5.060 -2.021 1.598 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.643 -2.732 3.122 1.00 0.37 H new ATOM 1444 N LEU A 99 1.288 -3.697 4.858 1.00 0.18 N ATOM 1445 CA LEU A 99 -0.091 -3.935 5.279 1.00 0.19 C ATOM 1446 C LEU A 99 -1.050 -3.053 4.486 1.00 0.19 C ATOM 1447 O LEU A 99 -1.185 -1.861 4.763 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.252 -3.666 6.777 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.643 -3.965 7.343 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.928 -5.459 7.302 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.767 -3.436 8.763 1.00 0.36 C ATOM 0 H LEU A 99 1.684 -2.817 5.189 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.330 -4.980 5.084 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.480 -4.264 7.319 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.015 -2.620 6.970 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.382 -3.458 6.722 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.921 -5.651 7.708 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.884 -5.810 6.271 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.184 -5.988 7.897 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.762 -3.658 9.148 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -1.018 -3.913 9.396 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.609 -2.357 8.765 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.716 -3.647 3.501 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.656 -2.911 2.662 1.00 0.23 C ATOM 1465 C LEU A 100 -3.984 -3.651 2.533 1.00 0.24 C ATOM 1466 O LEU A 100 -4.070 -4.848 2.804 1.00 0.30 O ATOM 1467 CB LEU A 100 -2.052 -2.674 1.274 1.00 0.25 C ATOM 1468 CG LEU A 100 -1.099 -3.767 0.778 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.826 -5.093 0.620 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.456 -3.352 -0.536 1.00 0.31 C ATOM 0 H LEU A 100 -1.623 -4.635 3.264 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.849 -1.951 3.140 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.865 -2.570 0.555 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.515 -1.726 1.287 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.315 -3.899 1.524 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -1.127 -5.851 0.267 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.238 -5.399 1.582 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.635 -4.981 -0.102 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.218 -4.138 -0.876 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -1.231 -3.190 -1.285 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.106 -2.430 -0.391 1.00 0.31 H new ATOM 1482 N ILE A 101 -5.016 -2.925 2.118 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.344 -3.504 1.947 1.00 0.29 C ATOM 1484 C ILE A 101 -6.718 -3.584 0.469 1.00 0.32 C ATOM 1485 O ILE A 101 -6.442 -2.663 -0.303 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.410 -2.684 2.702 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.793 -3.321 2.541 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.418 -1.244 2.207 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.865 -2.671 3.391 1.00 0.45 C ATOM 0 H ILE A 101 -4.958 -1.932 1.893 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.314 -4.511 2.362 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.159 -2.682 3.763 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -9.089 -3.266 1.493 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.729 -4.378 2.799 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.175 -0.677 2.749 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.439 -0.796 2.376 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.646 -1.227 1.141 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.817 -3.175 3.224 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.592 -2.750 4.443 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.958 -1.620 3.118 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.343 -4.693 0.083 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.756 -4.896 -1.303 1.00 0.46 C ATOM 1503 C ARG A 102 -9.188 -5.418 -1.374 1.00 0.60 C ATOM 1504 O ARG A 102 -9.589 -6.270 -0.582 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.806 -5.874 -2.004 1.00 0.70 C ATOM 1506 CG ARG A 102 -7.206 -6.198 -3.437 1.00 1.27 C ATOM 1507 CD ARG A 102 -7.191 -4.960 -4.321 1.00 1.35 C ATOM 1508 NE ARG A 102 -7.666 -5.248 -5.672 1.00 1.49 N ATOM 1509 CZ ARG A 102 -8.531 -4.480 -6.328 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -9.011 -3.380 -5.764 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -8.917 -4.814 -7.553 1.00 2.20 N ATOM 0 H ARG A 102 -7.574 -5.464 0.709 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.715 -3.933 -1.813 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -5.801 -5.453 -2.004 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -6.764 -6.800 -1.430 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -6.524 -6.944 -3.845 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -8.203 -6.639 -3.445 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -7.816 -4.187 -3.874 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -6.178 -4.561 -4.370 1.00 1.35 H new ATOM 0 HE ARG A 102 -7.315 -6.085 -6.138 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -8.717 -3.120 -4.823 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -9.674 -2.794 -6.272 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -8.550 -5.659 -7.991 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -9.580 -4.226 -8.057 1.00 2.20 H new