USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 425 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 CYS SG : rot -27:sc= -5.38! USER MOD Single : A 11 GLN : amide:sc= 0.81 K(o=0.81,f=-0.26) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -79:sc= -0.0579 USER MOD Single : A 19 GLN : amide:sc= -0.253 K(o=-0.25,f=-1) USER MOD Single : A 20 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.05) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -35:sc= -4.38! USER MOD Single : A 53 MET CE :methyl 155:sc= -0.0326 (180deg=-1.08) USER MOD Single : A 56 SER OG : rot 138:sc= 1.54 USER MOD Single : A 57 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -6.728 -6.660 0.641 1.00 0.00 N ATOM 67 CA ARG A 8 -6.336 -6.556 2.036 1.00 0.00 C ATOM 68 C ARG A 8 -5.926 -5.119 2.367 1.00 0.00 C ATOM 69 O ARG A 8 -5.853 -4.271 1.479 1.00 0.00 O ATOM 70 CB ARG A 8 -5.171 -7.496 2.352 1.00 0.00 C ATOM 71 CG ARG A 8 -3.873 -6.995 1.717 1.00 0.00 C ATOM 72 CD ARG A 8 -2.675 -7.821 2.190 1.00 0.00 C ATOM 73 NE ARG A 8 -2.875 -8.241 3.595 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.533 -9.349 3.961 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.060 -10.155 3.029 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.665 -9.652 5.260 1.00 0.00 N ATOM 0 HA ARG A 8 -7.195 -6.842 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.045 -7.574 3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.397 -8.497 1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.951 -7.050 0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.720 -5.947 1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.553 -8.697 1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.761 -7.234 2.104 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.488 -7.650 4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.960 -9.925 2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.561 -10.999 3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.264 -9.039 5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.166 -10.496 5.539 1.00 0.00 H new ATOM 90 N ARG A 9 -5.670 -4.890 3.646 1.00 0.00 N ATOM 91 CA ARG A 9 -5.270 -3.571 4.105 1.00 0.00 C ATOM 92 C ARG A 9 -3.854 -3.617 4.684 1.00 0.00 C ATOM 93 O ARG A 9 -3.458 -4.614 5.285 1.00 0.00 O ATOM 94 CB ARG A 9 -6.232 -3.043 5.171 1.00 0.00 C ATOM 95 CG ARG A 9 -7.189 -2.005 4.581 1.00 0.00 C ATOM 96 CD ARG A 9 -8.407 -1.806 5.484 1.00 0.00 C ATOM 97 NE ARG A 9 -9.608 -2.398 4.853 1.00 0.00 N ATOM 98 CZ ARG A 9 -10.826 -2.400 5.411 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.013 -1.841 6.615 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.858 -2.960 4.766 1.00 0.00 N ATOM 0 H ARG A 9 -5.732 -5.596 4.380 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.294 -2.900 3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.803 -3.870 5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.665 -2.597 5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.668 -1.056 4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.514 -2.326 3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.230 -2.270 6.454 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.567 -0.743 5.663 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.502 -2.832 3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.228 -1.414 7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.940 -1.843 7.040 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.717 -3.385 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.785 -2.961 5.191 1.00 0.00 H new ATOM 114 N CYS A 10 -3.131 -2.526 4.482 1.00 0.00 N ATOM 115 CA CYS A 10 -1.768 -2.429 4.976 1.00 0.00 C ATOM 116 C CYS A 10 -1.486 -0.967 5.324 1.00 0.00 C ATOM 117 O CYS A 10 -1.971 -0.059 4.651 1.00 0.00 O ATOM 118 CB CYS A 10 -0.759 -2.980 3.965 1.00 0.00 C ATOM 119 SG CYS A 10 -1.436 -4.476 3.158 1.00 0.00 S ATOM 0 H CYS A 10 -3.463 -1.701 3.983 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.659 -3.042 5.871 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.533 -2.223 3.214 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.178 -3.220 4.468 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.276 -5.059 3.960 1.00 0.00 H new ATOM 125 N GLN A 11 -0.702 -0.783 6.377 1.00 0.00 N ATOM 126 CA GLN A 11 -0.349 0.554 6.823 1.00 0.00 C ATOM 127 C GLN A 11 1.070 0.907 6.373 1.00 0.00 C ATOM 128 O GLN A 11 1.981 0.088 6.480 1.00 0.00 O ATOM 129 CB GLN A 11 -0.490 0.681 8.341 1.00 0.00 C ATOM 130 CG GLN A 11 -0.698 2.139 8.753 1.00 0.00 C ATOM 131 CD GLN A 11 -1.496 2.233 10.055 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.427 1.374 10.919 1.00 0.00 O ATOM 133 NE2 GLN A 11 -2.255 3.321 10.147 1.00 0.00 N ATOM 0 H GLN A 11 -0.302 -1.538 6.934 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.041 1.262 6.366 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.332 0.079 8.683 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.402 0.286 8.827 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.269 2.626 8.879 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.223 2.673 7.961 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.266 4.001 9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.826 3.476 10.978 1.00 0.00 H new ATOM 142 N VAL A 12 1.213 2.128 5.878 1.00 0.00 N ATOM 143 CA VAL A 12 2.506 2.600 5.411 1.00 0.00 C ATOM 144 C VAL A 12 3.446 2.765 6.607 1.00 0.00 C ATOM 145 O VAL A 12 3.250 3.650 7.438 1.00 0.00 O ATOM 146 CB VAL A 12 2.333 3.888 4.604 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.683 4.561 4.350 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.599 3.617 3.290 1.00 0.00 C ATOM 0 H VAL A 12 0.455 2.805 5.790 1.00 0.00 H new ATOM 0 HA VAL A 12 2.959 1.871 4.740 1.00 0.00 H new ATOM 0 HB VAL A 12 1.723 4.573 5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.532 5.474 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.152 4.806 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.328 3.883 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.489 4.549 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.171 2.906 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.613 3.203 3.503 1.00 0.00 H new ATOM 158 N ALA A 13 4.447 1.898 6.656 1.00 0.00 N ATOM 159 CA ALA A 13 5.418 1.937 7.736 1.00 0.00 C ATOM 160 C ALA A 13 6.507 2.957 7.401 1.00 0.00 C ATOM 161 O ALA A 13 7.151 3.502 8.297 1.00 0.00 O ATOM 162 CB ALA A 13 5.984 0.534 7.965 1.00 0.00 C ATOM 0 H ALA A 13 4.606 1.165 5.965 1.00 0.00 H new ATOM 0 HA ALA A 13 4.945 2.254 8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.713 0.563 8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.174 -0.146 8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.469 0.184 7.054 1.00 0.00 H new ATOM 168 N PHE A 14 6.681 3.186 6.107 1.00 0.00 N ATOM 169 CA PHE A 14 7.681 4.132 5.642 1.00 0.00 C ATOM 170 C PHE A 14 7.165 4.931 4.444 1.00 0.00 C ATOM 171 O PHE A 14 6.803 4.356 3.419 1.00 0.00 O ATOM 172 CB PHE A 14 8.901 3.316 5.208 1.00 0.00 C ATOM 173 CG PHE A 14 9.237 2.154 6.145 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.442 1.051 6.174 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.332 2.224 6.949 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.754 -0.027 7.043 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.644 1.145 7.818 1.00 0.00 C ATOM 178 CZ PHE A 14 9.849 0.042 7.847 1.00 0.00 C ATOM 0 H PHE A 14 6.146 2.732 5.366 1.00 0.00 H new ATOM 0 HA PHE A 14 7.924 4.837 6.437 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.725 2.923 4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.764 3.978 5.143 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.573 0.995 5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.964 3.100 6.926 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.122 -0.902 7.066 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.513 1.200 8.456 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.087 -0.778 8.508 1.00 0.00 H new ATOM 188 N SER A 15 7.149 6.245 4.613 1.00 0.00 N ATOM 189 CA SER A 15 6.683 7.130 3.559 1.00 0.00 C ATOM 190 C SER A 15 7.520 6.924 2.295 1.00 0.00 C ATOM 191 O SER A 15 8.728 6.706 2.375 1.00 0.00 O ATOM 192 CB SER A 15 6.741 8.593 4.001 1.00 0.00 C ATOM 193 OG SER A 15 8.005 8.930 4.566 1.00 0.00 O ATOM 0 H SER A 15 7.451 6.718 5.464 1.00 0.00 H new ATOM 0 HA SER A 15 5.643 6.886 3.343 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.543 9.238 3.145 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.955 8.782 4.732 1.00 0.00 H new ATOM 0 HG SER A 15 8.003 9.873 4.834 1.00 0.00 H new ATOM 199 N TYR A 16 6.845 6.999 1.157 1.00 0.00 N ATOM 200 CA TYR A 16 7.512 6.824 -0.122 1.00 0.00 C ATOM 201 C TYR A 16 7.064 7.888 -1.125 1.00 0.00 C ATOM 202 O TYR A 16 5.880 7.987 -1.443 1.00 0.00 O ATOM 203 CB TYR A 16 7.086 5.446 -0.634 1.00 0.00 C ATOM 204 CG TYR A 16 7.483 5.172 -2.086 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.651 5.565 -3.114 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.673 4.532 -2.367 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.024 5.308 -4.481 1.00 0.00 C ATOM 208 CE2 TYR A 16 9.046 4.274 -3.734 1.00 0.00 C ATOM 209 CZ TYR A 16 8.203 4.675 -4.723 1.00 0.00 C ATOM 210 OH TYR A 16 8.556 4.431 -6.014 1.00 0.00 O ATOM 0 H TYR A 16 5.843 7.179 1.094 1.00 0.00 H new ATOM 0 HA TYR A 16 8.592 6.912 -0.007 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.528 4.680 0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.004 5.353 -0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.720 6.066 -2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.324 4.225 -1.562 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.382 5.611 -5.295 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.974 3.774 -3.968 1.00 0.00 H new ATOM 0 HH TYR A 16 8.075 3.643 -6.341 1.00 0.00 H new ATOM 220 N LEU A 17 8.034 8.658 -1.595 1.00 0.00 N ATOM 221 CA LEU A 17 7.754 9.712 -2.555 1.00 0.00 C ATOM 222 C LEU A 17 7.797 9.132 -3.970 1.00 0.00 C ATOM 223 O LEU A 17 8.776 8.494 -4.354 1.00 0.00 O ATOM 224 CB LEU A 17 8.704 10.894 -2.346 1.00 0.00 C ATOM 225 CG LEU A 17 8.627 11.582 -0.982 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.317 12.358 -0.832 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.831 10.576 0.152 1.00 0.00 C ATOM 0 H LEU A 17 9.015 8.573 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 17 6.750 10.109 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.725 10.545 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.503 11.637 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 17 9.439 12.307 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.288 12.837 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.253 13.118 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.475 11.672 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.772 11.091 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.057 9.810 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.810 10.108 0.052 1.00 0.00 H new ATOM 239 N PRO A 18 6.695 9.380 -4.727 1.00 0.00 N ATOM 240 CA PRO A 18 6.598 8.889 -6.091 1.00 0.00 C ATOM 241 C PRO A 18 7.475 9.715 -7.035 1.00 0.00 C ATOM 242 O PRO A 18 7.185 10.882 -7.295 1.00 0.00 O ATOM 243 CB PRO A 18 5.119 8.968 -6.433 1.00 0.00 C ATOM 244 CG PRO A 18 4.509 9.929 -5.426 1.00 0.00 C ATOM 245 CD PRO A 18 5.517 10.132 -4.306 1.00 0.00 C ATOM 0 HA PRO A 18 6.964 7.868 -6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.972 9.325 -7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.650 7.986 -6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.270 10.880 -5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.576 9.527 -5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.749 11.188 -4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.132 9.765 -3.355 1.00 0.00 H new ATOM 253 N GLN A 19 8.529 9.077 -7.522 1.00 0.00 N ATOM 254 CA GLN A 19 9.450 9.738 -8.431 1.00 0.00 C ATOM 255 C GLN A 19 8.907 9.694 -9.861 1.00 0.00 C ATOM 256 O GLN A 19 9.626 10.000 -10.811 1.00 0.00 O ATOM 257 CB GLN A 19 10.842 9.109 -8.354 1.00 0.00 C ATOM 258 CG GLN A 19 11.243 8.840 -6.902 1.00 0.00 C ATOM 259 CD GLN A 19 12.423 9.721 -6.487 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.300 10.040 -7.273 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.396 10.096 -5.211 1.00 0.00 N ATOM 0 H GLN A 19 8.766 8.109 -7.304 1.00 0.00 H new ATOM 0 HA GLN A 19 9.542 10.781 -8.130 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.855 8.176 -8.917 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.571 9.772 -8.819 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.394 9.030 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.509 7.790 -6.783 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.632 9.793 -4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.139 10.686 -4.837 1.00 0.00 H new ATOM 270 N ASN A 20 7.643 9.312 -9.968 1.00 0.00 N ATOM 271 CA ASN A 20 6.995 9.225 -11.266 1.00 0.00 C ATOM 272 C ASN A 20 5.611 9.871 -11.185 1.00 0.00 C ATOM 273 O ASN A 20 5.241 10.427 -10.152 1.00 0.00 O ATOM 274 CB ASN A 20 6.812 7.767 -11.693 1.00 0.00 C ATOM 275 CG ASN A 20 8.101 7.207 -12.298 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.634 7.716 -13.270 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.570 6.132 -11.670 1.00 0.00 N ATOM 0 H ASN A 20 7.050 9.059 -9.177 1.00 0.00 H new ATOM 0 HA ASN A 20 7.625 9.738 -11.993 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.519 7.166 -10.832 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.004 7.696 -12.421 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.425 5.683 -11.997 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.074 5.757 -10.861 1.00 0.00 H new ATOM 284 N ASP A 21 4.884 9.777 -12.289 1.00 0.00 N ATOM 285 CA ASP A 21 3.549 10.346 -12.356 1.00 0.00 C ATOM 286 C ASP A 21 2.519 9.215 -12.406 1.00 0.00 C ATOM 287 O ASP A 21 1.443 9.375 -12.981 1.00 0.00 O ATOM 288 CB ASP A 21 3.375 11.199 -13.614 1.00 0.00 C ATOM 289 CG ASP A 21 2.687 12.547 -13.392 1.00 0.00 C ATOM 290 OD1 ASP A 21 2.910 13.127 -12.308 1.00 0.00 O ATOM 291 OD2 ASP A 21 1.952 12.967 -14.312 1.00 0.00 O ATOM 0 H ASP A 21 5.194 9.315 -13.144 1.00 0.00 H new ATOM 0 HA ASP A 21 3.405 10.971 -11.474 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.357 11.377 -14.052 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.799 10.630 -14.344 1.00 0.00 H new ATOM 296 N ASP A 22 2.885 8.098 -11.796 1.00 0.00 N ATOM 297 CA ASP A 22 2.007 6.941 -11.764 1.00 0.00 C ATOM 298 C ASP A 22 2.339 6.088 -10.537 1.00 0.00 C ATOM 299 O ASP A 22 2.068 4.888 -10.520 1.00 0.00 O ATOM 300 CB ASP A 22 2.195 6.071 -13.009 1.00 0.00 C ATOM 301 CG ASP A 22 0.898 5.608 -13.676 1.00 0.00 C ATOM 302 OD1 ASP A 22 0.163 4.841 -13.016 1.00 0.00 O ATOM 303 OD2 ASP A 22 0.671 6.031 -14.830 1.00 0.00 O ATOM 0 H ASP A 22 3.778 7.969 -11.320 1.00 0.00 H new ATOM 0 HA ASP A 22 0.978 7.300 -11.727 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.782 6.629 -13.739 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.779 5.192 -12.735 1.00 0.00 H new ATOM 308 N GLU A 23 2.920 6.741 -9.542 1.00 0.00 N ATOM 309 CA GLU A 23 3.292 6.057 -8.315 1.00 0.00 C ATOM 310 C GLU A 23 2.478 6.600 -7.138 1.00 0.00 C ATOM 311 O GLU A 23 1.986 7.726 -7.186 1.00 0.00 O ATOM 312 CB GLU A 23 4.793 6.185 -8.049 1.00 0.00 C ATOM 313 CG GLU A 23 5.565 5.035 -8.698 1.00 0.00 C ATOM 314 CD GLU A 23 6.116 4.078 -7.639 1.00 0.00 C ATOM 315 OE1 GLU A 23 5.432 3.921 -6.605 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.208 3.524 -7.889 1.00 0.00 O ATOM 0 H GLU A 23 3.142 7.736 -9.560 1.00 0.00 H new ATOM 0 HA GLU A 23 3.066 4.997 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.155 7.136 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.976 6.190 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.910 4.491 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.385 5.434 -9.295 1.00 0.00 H new ATOM 323 N LEU A 24 2.362 5.773 -6.109 1.00 0.00 N ATOM 324 CA LEU A 24 1.617 6.156 -4.922 1.00 0.00 C ATOM 325 C LEU A 24 2.569 6.803 -3.914 1.00 0.00 C ATOM 326 O LEU A 24 3.741 6.437 -3.838 1.00 0.00 O ATOM 327 CB LEU A 24 0.850 4.957 -4.361 1.00 0.00 C ATOM 328 CG LEU A 24 -0.559 4.741 -4.919 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.333 3.726 -4.076 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.307 6.069 -5.048 1.00 0.00 C ATOM 0 H LEU A 24 2.771 4.839 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 24 0.861 6.901 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.435 4.057 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.777 5.071 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.469 4.324 -5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.331 3.591 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.806 2.772 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.415 4.091 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.305 5.887 -5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.388 6.538 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.762 6.730 -5.722 1.00 0.00 H new ATOM 342 N GLU A 25 2.030 7.753 -3.165 1.00 0.00 N ATOM 343 CA GLU A 25 2.816 8.455 -2.165 1.00 0.00 C ATOM 344 C GLU A 25 2.524 7.895 -0.771 1.00 0.00 C ATOM 345 O GLU A 25 1.544 8.282 -0.136 1.00 0.00 O ATOM 346 CB GLU A 25 2.553 9.961 -2.217 1.00 0.00 C ATOM 347 CG GLU A 25 3.305 10.688 -1.100 1.00 0.00 C ATOM 348 CD GLU A 25 2.968 12.181 -1.095 1.00 0.00 C ATOM 349 OE1 GLU A 25 1.774 12.492 -0.897 1.00 0.00 O ATOM 350 OE2 GLU A 25 3.913 12.976 -1.288 1.00 0.00 O ATOM 0 H GLU A 25 1.057 8.053 -3.231 1.00 0.00 H new ATOM 0 HA GLU A 25 3.872 8.297 -2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.863 10.355 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.484 10.150 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.045 10.250 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.379 10.554 -1.232 1.00 0.00 H new ATOM 357 N LEU A 26 3.391 6.993 -0.336 1.00 0.00 N ATOM 358 CA LEU A 26 3.238 6.377 0.971 1.00 0.00 C ATOM 359 C LEU A 26 3.561 7.406 2.056 1.00 0.00 C ATOM 360 O LEU A 26 4.558 8.119 1.963 1.00 0.00 O ATOM 361 CB LEU A 26 4.078 5.101 1.063 1.00 0.00 C ATOM 362 CG LEU A 26 3.976 4.144 -0.126 1.00 0.00 C ATOM 363 CD1 LEU A 26 4.984 3.000 0.004 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.545 3.630 -0.295 1.00 0.00 C ATOM 0 H LEU A 26 4.202 6.674 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 26 2.206 6.063 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.123 5.386 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.786 4.562 1.964 1.00 0.00 H new ATOM 0 HG LEU A 26 4.229 4.696 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.891 2.334 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.994 3.408 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.786 2.443 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.500 2.952 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.240 3.100 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.874 4.472 -0.466 1.00 0.00 H new ATOM 376 N LYS A 27 2.698 7.450 3.061 1.00 0.00 N ATOM 377 CA LYS A 27 2.879 8.379 4.163 1.00 0.00 C ATOM 378 C LYS A 27 2.662 7.643 5.486 1.00 0.00 C ATOM 379 O LYS A 27 1.553 7.200 5.780 1.00 0.00 O ATOM 380 CB LYS A 27 1.977 9.602 3.985 1.00 0.00 C ATOM 381 CG LYS A 27 2.770 10.794 3.446 1.00 0.00 C ATOM 382 CD LYS A 27 2.919 11.882 4.511 1.00 0.00 C ATOM 383 CE LYS A 27 4.364 11.971 5.006 1.00 0.00 C ATOM 384 NZ LYS A 27 4.405 12.475 6.397 1.00 0.00 N ATOM 0 H LYS A 27 1.871 6.857 3.135 1.00 0.00 H new ATOM 0 HA LYS A 27 3.899 8.762 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.164 9.362 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.522 9.865 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.756 10.462 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.266 11.204 2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.612 12.843 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.256 11.668 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.833 10.989 4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.937 12.632 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.393 12.529 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.976 13.421 6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.875 11.829 7.016 1.00 0.00 H new ATOM 398 N VAL A 28 3.740 7.534 6.249 1.00 0.00 N ATOM 399 CA VAL A 28 3.682 6.859 7.535 1.00 0.00 C ATOM 400 C VAL A 28 2.325 7.128 8.187 1.00 0.00 C ATOM 401 O VAL A 28 2.064 8.236 8.652 1.00 0.00 O ATOM 402 CB VAL A 28 4.861 7.293 8.408 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.805 6.619 9.780 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.194 7.009 7.711 1.00 0.00 C ATOM 0 H VAL A 28 4.659 7.902 6.001 1.00 0.00 H new ATOM 0 HA VAL A 28 3.772 5.781 7.404 1.00 0.00 H new ATOM 0 HB VAL A 28 4.786 8.370 8.561 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.654 6.945 10.380 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.878 6.894 10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.843 5.537 9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.015 7.327 8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.281 5.941 7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.236 7.557 6.770 1.00 0.00 H new ATOM 414 N GLY A 29 1.495 6.095 8.199 1.00 0.00 N ATOM 415 CA GLY A 29 0.171 6.206 8.787 1.00 0.00 C ATOM 416 C GLY A 29 -0.916 5.929 7.746 1.00 0.00 C ATOM 417 O GLY A 29 -1.937 5.318 8.057 1.00 0.00 O ATOM 0 H GLY A 29 1.714 5.177 7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.076 5.502 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.036 7.205 9.202 1.00 0.00 H new ATOM 421 N ASP A 30 -0.659 6.391 6.531 1.00 0.00 N ATOM 422 CA ASP A 30 -1.602 6.200 5.443 1.00 0.00 C ATOM 423 C ASP A 30 -1.882 4.706 5.272 1.00 0.00 C ATOM 424 O ASP A 30 -0.982 3.881 5.425 1.00 0.00 O ATOM 425 CB ASP A 30 -1.035 6.729 4.123 1.00 0.00 C ATOM 426 CG ASP A 30 -1.224 8.229 3.893 1.00 0.00 C ATOM 427 OD1 ASP A 30 -1.727 8.888 4.829 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.863 8.684 2.786 1.00 0.00 O ATOM 0 H ASP A 30 0.189 6.897 6.276 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.514 6.745 5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.031 6.503 4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.504 6.189 3.301 1.00 0.00 H new ATOM 433 N ILE A 31 -3.132 4.402 4.957 1.00 0.00 N ATOM 434 CA ILE A 31 -3.542 3.022 4.764 1.00 0.00 C ATOM 435 C ILE A 31 -3.963 2.818 3.308 1.00 0.00 C ATOM 436 O ILE A 31 -4.897 3.461 2.832 1.00 0.00 O ATOM 437 CB ILE A 31 -4.623 2.637 5.776 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.198 3.005 7.199 1.00 0.00 C ATOM 439 CG2 ILE A 31 -4.988 1.156 5.652 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.292 2.649 8.208 1.00 0.00 C ATOM 0 H ILE A 31 -3.875 5.089 4.830 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.707 2.347 4.952 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.522 3.210 5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.278 2.480 7.455 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.982 4.072 7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.758 0.909 6.382 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.363 0.956 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.103 0.547 5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.964 2.921 9.211 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.204 3.194 7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.489 1.578 8.169 1.00 0.00 H new ATOM 452 N ILE A 32 -3.253 1.920 2.640 1.00 0.00 N ATOM 453 CA ILE A 32 -3.541 1.624 1.247 1.00 0.00 C ATOM 454 C ILE A 32 -4.341 0.322 1.162 1.00 0.00 C ATOM 455 O ILE A 32 -3.891 -0.719 1.639 1.00 0.00 O ATOM 456 CB ILE A 32 -2.251 1.608 0.424 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.739 3.029 0.181 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.444 0.836 -0.882 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.272 3.162 0.595 1.00 0.00 C ATOM 0 H ILE A 32 -2.479 1.388 3.038 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.160 2.408 0.811 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.486 1.084 0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.847 3.283 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.345 3.739 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.512 0.840 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.728 -0.192 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.229 1.309 -1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.067 4.182 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.171 2.931 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.335 2.468 0.013 1.00 0.00 H new ATOM 471 N GLU A 33 -5.512 0.423 0.551 1.00 0.00 N ATOM 472 CA GLU A 33 -6.378 -0.733 0.398 1.00 0.00 C ATOM 473 C GLU A 33 -5.858 -1.642 -0.718 1.00 0.00 C ATOM 474 O GLU A 33 -6.111 -1.392 -1.896 1.00 0.00 O ATOM 475 CB GLU A 33 -7.822 -0.305 0.128 1.00 0.00 C ATOM 476 CG GLU A 33 -8.742 -0.722 1.278 1.00 0.00 C ATOM 477 CD GLU A 33 -10.183 -0.890 0.793 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.593 -0.077 -0.062 1.00 0.00 O ATOM 479 OE2 GLU A 33 -10.842 -1.830 1.289 1.00 0.00 O ATOM 0 H GLU A 33 -5.881 1.288 0.156 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.369 -1.295 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.866 0.776 -0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.170 -0.754 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.388 -1.658 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.705 0.028 2.068 1.00 0.00 H new ATOM 486 N VAL A 34 -5.140 -2.677 -0.309 1.00 0.00 N ATOM 487 CA VAL A 34 -4.582 -3.624 -1.259 1.00 0.00 C ATOM 488 C VAL A 34 -5.689 -4.115 -2.194 1.00 0.00 C ATOM 489 O VAL A 34 -6.604 -4.816 -1.764 1.00 0.00 O ATOM 490 CB VAL A 34 -3.881 -4.762 -0.514 1.00 0.00 C ATOM 491 CG1 VAL A 34 -3.179 -5.707 -1.492 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.896 -4.214 0.522 1.00 0.00 C ATOM 0 H VAL A 34 -4.932 -2.881 0.668 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.824 -3.142 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.642 -5.334 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.689 -6.507 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.913 -6.136 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.434 -5.152 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.411 -5.043 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.142 -3.607 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.433 -3.601 1.246 1.00 0.00 H new ATOM 502 N VAL A 35 -5.571 -3.726 -3.455 1.00 0.00 N ATOM 503 CA VAL A 35 -6.551 -4.118 -4.454 1.00 0.00 C ATOM 504 C VAL A 35 -5.996 -5.282 -5.276 1.00 0.00 C ATOM 505 O VAL A 35 -6.714 -6.238 -5.568 1.00 0.00 O ATOM 506 CB VAL A 35 -6.936 -2.910 -5.311 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.523 -1.791 -4.449 1.00 0.00 C ATOM 508 CG2 VAL A 35 -5.738 -2.408 -6.120 1.00 0.00 C ATOM 0 H VAL A 35 -4.812 -3.143 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.467 -4.465 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.705 -3.229 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.788 -0.945 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.414 -2.155 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.785 -1.475 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.038 -1.549 -6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.938 -2.114 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.383 -3.203 -6.776 1.00 0.00 H new ATOM 518 N GLY A 36 -4.724 -5.164 -5.628 1.00 0.00 N ATOM 519 CA GLY A 36 -4.066 -6.195 -6.411 1.00 0.00 C ATOM 520 C GLY A 36 -2.548 -6.143 -6.222 1.00 0.00 C ATOM 521 O GLY A 36 -2.059 -5.544 -5.265 1.00 0.00 O ATOM 0 H GLY A 36 -4.132 -4.370 -5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.439 -7.175 -6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.309 -6.066 -7.466 1.00 0.00 H new ATOM 525 N GLU A 37 -1.846 -6.777 -7.149 1.00 0.00 N ATOM 526 CA GLU A 37 -0.394 -6.810 -7.096 1.00 0.00 C ATOM 527 C GLU A 37 0.195 -6.491 -8.472 1.00 0.00 C ATOM 528 O GLU A 37 -0.217 -7.070 -9.476 1.00 0.00 O ATOM 529 CB GLU A 37 0.106 -8.163 -6.586 1.00 0.00 C ATOM 530 CG GLU A 37 1.581 -8.370 -6.935 1.00 0.00 C ATOM 531 CD GLU A 37 2.249 -9.329 -5.948 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.619 -9.596 -4.902 1.00 0.00 O ATOM 533 OE2 GLU A 37 3.374 -9.774 -6.262 1.00 0.00 O ATOM 0 H GLU A 37 -2.255 -7.272 -7.941 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.059 -6.048 -6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.027 -8.220 -5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.491 -8.964 -7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.667 -8.766 -7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.099 -7.411 -6.923 1.00 0.00 H new ATOM 540 N VAL A 38 1.148 -5.571 -8.473 1.00 0.00 N ATOM 541 CA VAL A 38 1.797 -5.168 -9.709 1.00 0.00 C ATOM 542 C VAL A 38 2.862 -6.202 -10.081 1.00 0.00 C ATOM 543 O VAL A 38 2.667 -6.996 -11.000 1.00 0.00 O ATOM 544 CB VAL A 38 2.361 -3.753 -9.567 1.00 0.00 C ATOM 545 CG1 VAL A 38 2.839 -3.215 -10.917 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.332 -2.813 -8.935 1.00 0.00 C ATOM 0 H VAL A 38 1.486 -5.093 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 38 1.076 -5.135 -10.526 1.00 0.00 H new ATOM 0 HB VAL A 38 3.223 -3.802 -8.902 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.235 -2.208 -10.788 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.621 -3.864 -11.311 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.002 -3.189 -11.615 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.759 -1.814 -8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.442 -2.773 -9.563 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.062 -3.182 -7.946 1.00 0.00 H new ATOM 556 N GLU A 39 3.965 -6.158 -9.348 1.00 0.00 N ATOM 557 CA GLU A 39 5.061 -7.080 -9.590 1.00 0.00 C ATOM 558 C GLU A 39 5.731 -7.466 -8.269 1.00 0.00 C ATOM 559 O GLU A 39 5.388 -6.931 -7.216 1.00 0.00 O ATOM 560 CB GLU A 39 6.077 -6.482 -10.565 1.00 0.00 C ATOM 561 CG GLU A 39 6.766 -5.259 -9.957 1.00 0.00 C ATOM 562 CD GLU A 39 8.015 -4.880 -10.756 1.00 0.00 C ATOM 563 OE1 GLU A 39 7.841 -4.219 -11.802 1.00 0.00 O ATOM 564 OE2 GLU A 39 9.116 -5.261 -10.302 1.00 0.00 O ATOM 0 H GLU A 39 4.123 -5.498 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 39 4.656 -7.982 -10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.823 -7.233 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.575 -6.199 -11.490 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.073 -4.418 -9.939 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.041 -5.468 -8.923 1.00 0.00 H new ATOM 571 N GLU A 40 6.674 -8.391 -8.369 1.00 0.00 N ATOM 572 CA GLU A 40 7.395 -8.855 -7.195 1.00 0.00 C ATOM 573 C GLU A 40 7.958 -7.665 -6.414 1.00 0.00 C ATOM 574 O GLU A 40 8.799 -6.926 -6.923 1.00 0.00 O ATOM 575 CB GLU A 40 8.507 -9.830 -7.585 1.00 0.00 C ATOM 576 CG GLU A 40 8.957 -10.658 -6.380 1.00 0.00 C ATOM 577 CD GLU A 40 10.476 -10.589 -6.203 1.00 0.00 C ATOM 578 OE1 GLU A 40 11.173 -11.179 -7.057 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.904 -9.948 -5.220 1.00 0.00 O ATOM 0 H GLU A 40 6.956 -8.832 -9.245 1.00 0.00 H new ATOM 0 HA GLU A 40 6.697 -9.390 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.154 -10.493 -8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.355 -9.277 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.465 -10.292 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.649 -11.695 -6.512 1.00 0.00 H new ATOM 586 N GLY A 41 7.471 -7.518 -5.191 1.00 0.00 N ATOM 587 CA GLY A 41 7.915 -6.432 -4.334 1.00 0.00 C ATOM 588 C GLY A 41 7.070 -5.177 -4.558 1.00 0.00 C ATOM 589 O GLY A 41 7.228 -4.183 -3.851 1.00 0.00 O ATOM 0 H GLY A 41 6.773 -8.133 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.849 -6.738 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.963 -6.210 -4.536 1.00 0.00 H new ATOM 593 N TRP A 42 6.190 -5.263 -5.546 1.00 0.00 N ATOM 594 CA TRP A 42 5.320 -4.146 -5.872 1.00 0.00 C ATOM 595 C TRP A 42 3.874 -4.646 -5.829 1.00 0.00 C ATOM 596 O TRP A 42 3.542 -5.650 -6.456 1.00 0.00 O ATOM 597 CB TRP A 42 5.700 -3.530 -7.220 1.00 0.00 C ATOM 598 CG TRP A 42 7.055 -2.820 -7.219 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.275 -3.370 -7.297 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.280 -1.397 -7.133 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.265 -2.409 -7.268 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.641 -1.171 -7.165 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.364 -0.335 -7.032 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.208 0.107 -7.101 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.946 0.936 -6.968 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.314 1.180 -6.999 1.00 0.00 C ATOM 0 H TRP A 42 6.061 -6.089 -6.131 1.00 0.00 H new ATOM 0 HA TRP A 42 5.433 -3.343 -5.144 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.713 -4.315 -7.976 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.928 -2.818 -7.513 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.460 -4.431 -7.373 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.270 -2.576 -7.314 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.295 -0.488 -7.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.277 0.257 -7.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.286 1.787 -6.889 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.686 2.193 -6.945 1.00 0.00 H new ATOM 617 N TRP A 43 3.053 -3.921 -5.084 1.00 0.00 N ATOM 618 CA TRP A 43 1.651 -4.278 -4.951 1.00 0.00 C ATOM 619 C TRP A 43 0.814 -3.102 -5.458 1.00 0.00 C ATOM 620 O TRP A 43 1.342 -2.017 -5.698 1.00 0.00 O ATOM 621 CB TRP A 43 1.319 -4.671 -3.510 1.00 0.00 C ATOM 622 CG TRP A 43 1.837 -6.054 -3.107 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.368 -6.998 -3.896 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.851 -6.612 -1.777 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.722 -8.119 -3.174 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.398 -7.877 -1.845 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.417 -6.066 -0.556 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.561 -8.703 -0.726 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.586 -6.904 0.553 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.135 -8.180 0.501 1.00 0.00 C ATOM 0 H TRP A 43 3.332 -3.088 -4.566 1.00 0.00 H new ATOM 0 HA TRP A 43 1.418 -5.157 -5.553 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.740 -3.926 -2.835 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.237 -4.647 -3.378 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.502 -6.894 -4.963 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.144 -8.969 -3.547 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.987 -5.078 -0.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.992 -9.690 -0.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.268 -6.533 1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.233 -8.766 1.403 1.00 0.00 H new ATOM 641 N GLU A 44 -0.478 -3.357 -5.605 1.00 0.00 N ATOM 642 CA GLU A 44 -1.394 -2.332 -6.079 1.00 0.00 C ATOM 643 C GLU A 44 -2.512 -2.107 -5.059 1.00 0.00 C ATOM 644 O GLU A 44 -3.216 -3.045 -4.687 1.00 0.00 O ATOM 645 CB GLU A 44 -1.967 -2.700 -7.449 1.00 0.00 C ATOM 646 CG GLU A 44 -2.495 -1.461 -8.174 1.00 0.00 C ATOM 647 CD GLU A 44 -2.547 -1.690 -9.685 1.00 0.00 C ATOM 648 OE1 GLU A 44 -3.592 -2.198 -10.147 1.00 0.00 O ATOM 649 OE2 GLU A 44 -1.541 -1.352 -10.346 1.00 0.00 O ATOM 0 H GLU A 44 -0.912 -4.258 -5.404 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.839 -1.400 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.196 -3.178 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.772 -3.425 -7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.491 -1.217 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.855 -0.606 -7.954 1.00 0.00 H new ATOM 656 N GLY A 45 -2.641 -0.858 -4.636 1.00 0.00 N ATOM 657 CA GLY A 45 -3.661 -0.498 -3.667 1.00 0.00 C ATOM 658 C GLY A 45 -4.217 0.900 -3.949 1.00 0.00 C ATOM 659 O GLY A 45 -3.882 1.511 -4.963 1.00 0.00 O ATOM 0 H GLY A 45 -2.056 -0.083 -4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.470 -1.228 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.240 -0.530 -2.662 1.00 0.00 H new ATOM 663 N VAL A 46 -5.055 1.364 -3.034 1.00 0.00 N ATOM 664 CA VAL A 46 -5.660 2.678 -3.172 1.00 0.00 C ATOM 665 C VAL A 46 -5.245 3.552 -1.987 1.00 0.00 C ATOM 666 O VAL A 46 -5.263 3.102 -0.842 1.00 0.00 O ATOM 667 CB VAL A 46 -7.177 2.543 -3.313 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.882 3.844 -2.923 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.560 2.117 -4.732 1.00 0.00 C ATOM 0 H VAL A 46 -5.329 0.854 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.305 3.169 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.509 1.763 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.959 3.721 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.648 4.088 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.541 4.651 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.644 2.028 -4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.208 2.864 -5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.101 1.155 -4.959 1.00 0.00 H new ATOM 679 N LEU A 47 -4.881 4.787 -2.302 1.00 0.00 N ATOM 680 CA LEU A 47 -4.463 5.728 -1.277 1.00 0.00 C ATOM 681 C LEU A 47 -5.496 6.852 -1.170 1.00 0.00 C ATOM 682 O LEU A 47 -5.335 7.909 -1.779 1.00 0.00 O ATOM 683 CB LEU A 47 -3.042 6.224 -1.553 1.00 0.00 C ATOM 684 CG LEU A 47 -2.494 7.266 -0.576 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.429 6.704 0.845 1.00 0.00 C ATOM 686 CD2 LEU A 47 -1.137 7.796 -1.045 1.00 0.00 C ATOM 0 H LEU A 47 -4.867 5.157 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.422 5.238 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.372 5.365 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.015 6.647 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.182 8.112 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.036 7.465 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.429 6.414 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.776 5.832 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.769 8.535 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.427 6.971 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.247 8.260 -2.025 1.00 0.00 H new ATOM 698 N ASN A 48 -6.535 6.585 -0.393 1.00 0.00 N ATOM 699 CA ASN A 48 -7.595 7.560 -0.198 1.00 0.00 C ATOM 700 C ASN A 48 -8.245 7.875 -1.546 1.00 0.00 C ATOM 701 O ASN A 48 -8.310 9.034 -1.953 1.00 0.00 O ATOM 702 CB ASN A 48 -7.042 8.866 0.377 1.00 0.00 C ATOM 703 CG ASN A 48 -7.143 8.878 1.904 1.00 0.00 C ATOM 704 OD1 ASN A 48 -8.194 9.105 2.480 1.00 0.00 O ATOM 705 ND2 ASN A 48 -5.995 8.623 2.524 1.00 0.00 N ATOM 0 H ASN A 48 -6.666 5.707 0.109 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.319 7.137 0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.001 8.988 0.077 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.594 9.711 -0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.958 8.609 3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.151 8.441 1.980 1.00 0.00 H new ATOM 712 N GLY A 49 -8.711 6.823 -2.203 1.00 0.00 N ATOM 713 CA GLY A 49 -9.355 6.973 -3.497 1.00 0.00 C ATOM 714 C GLY A 49 -8.332 6.882 -4.632 1.00 0.00 C ATOM 715 O GLY A 49 -8.649 6.408 -5.722 1.00 0.00 O ATOM 0 H GLY A 49 -8.655 5.863 -1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.112 6.199 -3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.869 7.933 -3.542 1.00 0.00 H new ATOM 719 N LYS A 50 -7.126 7.344 -4.337 1.00 0.00 N ATOM 720 CA LYS A 50 -6.055 7.321 -5.318 1.00 0.00 C ATOM 721 C LYS A 50 -5.637 5.872 -5.577 1.00 0.00 C ATOM 722 O LYS A 50 -6.138 4.953 -4.931 1.00 0.00 O ATOM 723 CB LYS A 50 -4.902 8.224 -4.875 1.00 0.00 C ATOM 724 CG LYS A 50 -4.265 8.928 -6.074 1.00 0.00 C ATOM 725 CD LYS A 50 -4.032 10.411 -5.778 1.00 0.00 C ATOM 726 CE LYS A 50 -2.698 10.624 -5.059 1.00 0.00 C ATOM 727 NZ LYS A 50 -1.829 11.534 -5.838 1.00 0.00 N ATOM 0 H LYS A 50 -6.867 7.737 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.401 7.728 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.268 8.966 -4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.150 7.631 -4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.317 8.449 -6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.910 8.824 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.042 10.977 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.846 10.795 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.875 11.041 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.197 9.666 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.928 11.668 -5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.646 11.121 -6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.302 12.453 -5.951 1.00 0.00 H new ATOM 741 N THR A 51 -4.723 5.713 -6.524 1.00 0.00 N ATOM 742 CA THR A 51 -4.233 4.392 -6.876 1.00 0.00 C ATOM 743 C THR A 51 -2.854 4.492 -7.532 1.00 0.00 C ATOM 744 O THR A 51 -2.494 5.537 -8.071 1.00 0.00 O ATOM 745 CB THR A 51 -5.281 3.719 -7.764 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.497 3.863 -7.035 1.00 0.00 O ATOM 747 CG2 THR A 51 -5.082 2.205 -7.861 1.00 0.00 C ATOM 0 H THR A 51 -4.310 6.478 -7.058 1.00 0.00 H new ATOM 0 HA THR A 51 -4.093 3.774 -5.990 1.00 0.00 H new ATOM 0 HB THR A 51 -5.244 4.154 -8.763 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.313 3.796 -6.075 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.852 1.777 -8.503 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.099 1.993 -8.283 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.152 1.764 -6.867 1.00 0.00 H new ATOM 755 N GLY A 52 -2.120 3.391 -7.464 1.00 0.00 N ATOM 756 CA GLY A 52 -0.790 3.342 -8.045 1.00 0.00 C ATOM 757 C GLY A 52 0.012 2.166 -7.482 1.00 0.00 C ATOM 758 O GLY A 52 -0.416 1.520 -6.527 1.00 0.00 O ATOM 0 H GLY A 52 -2.422 2.526 -7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.866 3.249 -9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.265 4.275 -7.841 1.00 0.00 H new ATOM 762 N MET A 53 1.160 1.925 -8.097 1.00 0.00 N ATOM 763 CA MET A 53 2.025 0.839 -7.669 1.00 0.00 C ATOM 764 C MET A 53 2.955 1.290 -6.541 1.00 0.00 C ATOM 765 O MET A 53 3.534 2.373 -6.606 1.00 0.00 O ATOM 766 CB MET A 53 2.860 0.353 -8.856 1.00 0.00 C ATOM 767 CG MET A 53 3.638 1.509 -9.489 1.00 0.00 C ATOM 768 SD MET A 53 5.386 1.148 -9.475 1.00 0.00 S ATOM 769 CE MET A 53 5.420 -0.259 -10.573 1.00 0.00 C ATOM 0 H MET A 53 1.512 2.463 -8.889 1.00 0.00 H new ATOM 0 HA MET A 53 1.400 0.027 -7.296 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.554 -0.419 -8.525 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.208 -0.103 -9.601 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.299 1.669 -10.513 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.444 2.431 -8.942 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.407 -0.342 -11.027 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.202 -1.166 -10.009 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.671 -0.129 -11.354 1.00 0.00 H new ATOM 779 N PHE A 54 3.068 0.437 -5.534 1.00 0.00 N ATOM 780 CA PHE A 54 3.918 0.735 -4.393 1.00 0.00 C ATOM 781 C PHE A 54 4.672 -0.513 -3.931 1.00 0.00 C ATOM 782 O PHE A 54 4.226 -1.635 -4.166 1.00 0.00 O ATOM 783 CB PHE A 54 3.001 1.209 -3.264 1.00 0.00 C ATOM 784 CG PHE A 54 2.158 0.097 -2.638 1.00 0.00 C ATOM 785 CD1 PHE A 54 0.984 -0.275 -3.215 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.584 -0.522 -1.503 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.202 -1.307 -2.633 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.802 -1.555 -0.922 1.00 0.00 C ATOM 789 CZ PHE A 54 0.628 -1.926 -1.499 1.00 0.00 C ATOM 0 H PHE A 54 2.586 -0.460 -5.484 1.00 0.00 H new ATOM 0 HA PHE A 54 4.654 1.492 -4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.609 1.672 -2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.336 1.981 -3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.646 0.215 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.516 -0.228 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.731 -1.601 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.140 -2.046 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.034 -2.712 -1.057 1.00 0.00 H new ATOM 799 N PRO A 55 5.832 -0.270 -3.265 1.00 0.00 N ATOM 800 CA PRO A 55 6.653 -1.361 -2.768 1.00 0.00 C ATOM 801 C PRO A 55 6.030 -1.992 -1.521 1.00 0.00 C ATOM 802 O PRO A 55 5.647 -1.286 -0.589 1.00 0.00 O ATOM 803 CB PRO A 55 8.014 -0.740 -2.502 1.00 0.00 C ATOM 804 CG PRO A 55 7.779 0.760 -2.417 1.00 0.00 C ATOM 805 CD PRO A 55 6.392 1.046 -2.969 1.00 0.00 C ATOM 0 HA PRO A 55 6.737 -2.182 -3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.443 -1.121 -1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.716 -0.981 -3.301 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.857 1.101 -1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.536 1.298 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.780 1.583 -2.244 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.442 1.666 -3.864 1.00 0.00 H new ATOM 813 N SER A 56 5.947 -3.314 -1.544 1.00 0.00 N ATOM 814 CA SER A 56 5.377 -4.048 -0.427 1.00 0.00 C ATOM 815 C SER A 56 6.471 -4.394 0.585 1.00 0.00 C ATOM 816 O SER A 56 6.255 -5.204 1.485 1.00 0.00 O ATOM 817 CB SER A 56 4.674 -5.320 -0.905 1.00 0.00 C ATOM 818 OG SER A 56 4.594 -6.304 0.122 1.00 0.00 O ATOM 0 H SER A 56 6.265 -3.896 -2.319 1.00 0.00 H new ATOM 0 HA SER A 56 4.633 -3.414 0.055 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.670 -5.072 -1.248 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.211 -5.731 -1.760 1.00 0.00 H new ATOM 0 HG SER A 56 3.707 -6.720 0.108 1.00 0.00 H new ATOM 824 N ASN A 57 7.622 -3.764 0.402 1.00 0.00 N ATOM 825 CA ASN A 57 8.750 -3.996 1.288 1.00 0.00 C ATOM 826 C ASN A 57 8.917 -2.793 2.219 1.00 0.00 C ATOM 827 O ASN A 57 9.935 -2.667 2.899 1.00 0.00 O ATOM 828 CB ASN A 57 10.048 -4.163 0.495 1.00 0.00 C ATOM 829 CG ASN A 57 10.035 -5.464 -0.310 1.00 0.00 C ATOM 830 OD1 ASN A 57 9.064 -5.810 -0.963 1.00 0.00 O ATOM 831 ND2 ASN A 57 11.163 -6.164 -0.226 1.00 0.00 N ATOM 0 H ASN A 57 7.798 -3.093 -0.346 1.00 0.00 H new ATOM 0 HA ASN A 57 8.553 -4.907 1.854 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.179 -3.316 -0.178 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.898 -4.162 1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.253 -7.048 -0.726 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.938 -5.817 0.339 1.00 0.00 H new ATOM 838 N PHE A 58 7.903 -1.941 2.220 1.00 0.00 N ATOM 839 CA PHE A 58 7.925 -0.753 3.057 1.00 0.00 C ATOM 840 C PHE A 58 6.558 -0.511 3.701 1.00 0.00 C ATOM 841 O PHE A 58 6.153 0.635 3.893 1.00 0.00 O ATOM 842 CB PHE A 58 8.263 0.429 2.147 1.00 0.00 C ATOM 843 CG PHE A 58 9.746 0.531 1.784 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.656 0.877 2.734 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.155 0.276 0.512 1.00 0.00 C ATOM 846 CE1 PHE A 58 12.032 0.972 2.398 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.531 0.371 0.176 1.00 0.00 C ATOM 848 CZ PHE A 58 12.441 0.717 1.126 1.00 0.00 C ATOM 0 H PHE A 58 7.061 -2.049 1.655 1.00 0.00 H new ATOM 0 HA PHE A 58 8.657 -0.874 3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.680 0.346 1.230 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.955 1.352 2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.332 1.079 3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.433 0.001 -0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.754 1.247 3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.855 0.169 -0.834 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.488 0.789 0.870 1.00 0.00 H new ATOM 858 N ILE A 59 5.886 -1.608 4.017 1.00 0.00 N ATOM 859 CA ILE A 59 4.573 -1.529 4.635 1.00 0.00 C ATOM 860 C ILE A 59 4.457 -2.607 5.714 1.00 0.00 C ATOM 861 O ILE A 59 5.433 -3.289 6.023 1.00 0.00 O ATOM 862 CB ILE A 59 3.475 -1.602 3.572 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.735 -2.749 2.593 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.316 -0.260 2.854 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.158 -4.063 3.122 1.00 0.00 C ATOM 0 H ILE A 59 6.226 -2.556 3.857 1.00 0.00 H new ATOM 0 HA ILE A 59 4.442 -0.567 5.130 1.00 0.00 H new ATOM 0 HB ILE A 59 2.530 -1.813 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.289 -2.515 1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.807 -2.858 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.529 -0.340 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.051 0.511 3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.255 0.006 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.357 -4.862 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.624 -4.307 4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.082 -3.959 3.259 1.00 0.00 H new ATOM 877 N LYS A 60 3.255 -2.727 6.258 1.00 0.00 N ATOM 878 CA LYS A 60 2.999 -3.711 7.297 1.00 0.00 C ATOM 879 C LYS A 60 1.536 -4.154 7.224 1.00 0.00 C ATOM 880 O LYS A 60 0.639 -3.415 7.624 1.00 0.00 O ATOM 881 CB LYS A 60 3.408 -3.164 8.666 1.00 0.00 C ATOM 882 CG LYS A 60 2.641 -1.881 8.995 1.00 0.00 C ATOM 883 CD LYS A 60 3.481 -0.949 9.870 1.00 0.00 C ATOM 884 CE LYS A 60 2.987 -0.963 11.318 1.00 0.00 C ATOM 885 NZ LYS A 60 3.947 -0.262 12.200 1.00 0.00 N ATOM 0 H LYS A 60 2.448 -2.160 5.999 1.00 0.00 H new ATOM 0 HA LYS A 60 3.610 -4.599 7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.216 -3.914 9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.480 -2.964 8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.367 -1.370 8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.713 -2.130 9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.526 -1.256 9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.434 0.066 9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.010 -0.483 11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.859 -1.992 11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.597 -0.281 13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.871 -0.737 12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.049 0.725 11.888 1.00 0.00 H new ATOM 899 N GLU A 61 1.342 -5.360 6.710 1.00 0.00 N ATOM 900 CA GLU A 61 0.004 -5.911 6.579 1.00 0.00 C ATOM 901 C GLU A 61 -0.773 -5.734 7.885 1.00 0.00 C ATOM 902 O GLU A 61 -0.196 -5.375 8.911 1.00 0.00 O ATOM 903 CB GLU A 61 0.055 -7.383 6.166 1.00 0.00 C ATOM 904 CG GLU A 61 0.483 -8.267 7.340 1.00 0.00 C ATOM 905 CD GLU A 61 0.336 -9.750 6.992 1.00 0.00 C ATOM 906 OE1 GLU A 61 -0.785 -10.130 6.591 1.00 0.00 O ATOM 907 OE2 GLU A 61 1.348 -10.469 7.135 1.00 0.00 O ATOM 0 H GLU A 61 2.089 -5.971 6.379 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.517 -5.365 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.925 -7.698 5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.753 -7.508 5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.519 -8.052 7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.123 -8.033 8.216 1.00 0.00 H new ATOM 914 N LEU A 62 -2.070 -5.993 7.805 1.00 0.00 N ATOM 915 CA LEU A 62 -2.932 -5.867 8.968 1.00 0.00 C ATOM 916 C LEU A 62 -3.985 -6.976 8.940 1.00 0.00 C ATOM 917 O LEU A 62 -4.191 -7.616 7.909 1.00 0.00 O ATOM 918 CB LEU A 62 -3.525 -4.458 9.045 1.00 0.00 C ATOM 919 CG LEU A 62 -2.529 -3.304 8.914 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.231 -2.024 8.455 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.756 -3.096 10.218 1.00 0.00 C ATOM 0 H LEU A 62 -2.545 -6.290 6.952 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.356 -5.997 9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.274 -4.357 8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.046 -4.356 9.997 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.801 -3.567 8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.501 -1.219 8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.699 -2.193 7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.994 -1.746 9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.055 -2.270 10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.455 -2.865 11.022 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.207 -4.005 10.464 1.00 0.00 H new