USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 697 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 53 HIS : no HD1:sc= 0.94 K(o=2.7,f=-6.5!) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -162:sc= 1.71 (180deg=0.703) USER MOD Set 2.1: A 71 HIS : no HD1:sc= 0.31 K(o=1.4,f=-2.5) USER MOD Set 2.2: B 13 SER OG : rot 93:sc= 1.08 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc=-0.00641 X(o=-0.0064,f=0) USER MOD Single : A 16 ASN : amide:sc= 0.484 K(o=0.48,f=-4.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.534 K(o=0.53,f=-5.2!) USER MOD Single : A 28 THR OG1 : rot 53:sc= 0.532 USER MOD Single : A 29 SER OG : rot 180:sc= 0.402 USER MOD Single : A 32 HIS : no HD1:sc= -0.964 K(o=-0.96,f=-0.21) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.00198 X(o=-0.002,f=-0.002) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.033) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00149 USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00133) USER MOD Single : A 73 GLN : amide:sc=-0.00139 X(o=-0.0014,f=-0.055) USER MOD Single : A 77 THR OG1 : rot 84:sc= 1.08 USER MOD Single : A 80 ASN : amide:sc= 0.558 K(o=0.56,f=0) USER MOD Single : A 81 THR OG1 : rot -86:sc= 1.48 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 86 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.054) USER MOD Single : B 11 GLN : amide:sc= -0.0264 K(o=-0.026,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.331 8.039 -8.926 1.00 0.00 N ATOM 54 CA GLY A 4 -11.609 6.935 -8.372 1.00 0.00 C ATOM 55 C GLY A 4 -10.865 6.142 -9.392 1.00 0.00 C ATOM 56 O GLY A 4 -10.980 4.920 -9.460 1.00 0.00 O ATOM 0 HA2 GLY A 4 -10.905 7.308 -7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.306 6.279 -7.851 1.00 0.00 H new ATOM 60 N ASP A 5 -10.084 6.827 -10.247 1.00 0.00 N ATOM 61 CA ASP A 5 -9.270 6.217 -11.251 1.00 0.00 C ATOM 62 C ASP A 5 -7.953 5.739 -10.744 1.00 0.00 C ATOM 63 O ASP A 5 -7.613 5.825 -9.566 1.00 0.00 O ATOM 64 CB ASP A 5 -9.113 7.181 -12.440 1.00 0.00 C ATOM 65 CG ASP A 5 -9.375 6.465 -13.757 1.00 0.00 C ATOM 66 OD1 ASP A 5 -8.639 5.494 -14.077 1.00 0.00 O ATOM 67 OD2 ASP A 5 -10.330 6.867 -14.476 1.00 0.00 O ATOM 0 H ASP A 5 -10.017 7.845 -10.238 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.783 5.315 -11.584 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.806 8.015 -12.331 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.107 7.600 -12.443 1.00 0.00 H new ATOM 72 N ILE A 6 -7.127 5.211 -11.664 1.00 0.00 N ATOM 73 CA ILE A 6 -5.782 4.786 -11.419 1.00 0.00 C ATOM 74 C ILE A 6 -4.836 5.931 -11.534 1.00 0.00 C ATOM 75 O ILE A 6 -4.920 6.749 -12.449 1.00 0.00 O ATOM 76 CB ILE A 6 -5.432 3.625 -12.302 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.948 2.343 -11.627 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.934 3.518 -12.634 1.00 0.00 C ATOM 79 CD1 ILE A 6 -6.151 1.183 -12.600 1.00 0.00 C ATOM 0 H ILE A 6 -7.413 5.073 -12.633 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.695 4.429 -10.393 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.914 3.779 -13.268 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.242 2.039 -10.854 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.893 2.559 -11.129 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.764 2.654 -13.276 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.610 4.422 -13.150 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.364 3.403 -11.712 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.516 0.312 -12.056 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.879 1.468 -13.359 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.203 0.940 -13.080 1.00 0.00 H new ATOM 91 N PHE A 7 -3.881 6.032 -10.593 1.00 0.00 N ATOM 92 CA PHE A 7 -2.900 7.072 -10.573 1.00 0.00 C ATOM 93 C PHE A 7 -1.534 6.522 -10.344 1.00 0.00 C ATOM 94 O PHE A 7 -1.329 5.532 -9.643 1.00 0.00 O ATOM 95 CB PHE A 7 -3.257 8.233 -9.629 1.00 0.00 C ATOM 96 CG PHE A 7 -3.251 7.906 -8.175 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.319 7.281 -7.577 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.184 8.293 -7.398 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.328 7.050 -6.221 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.187 8.072 -6.041 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.266 7.457 -5.449 1.00 0.00 C ATOM 0 H PHE A 7 -3.788 5.370 -9.823 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.898 7.522 -11.566 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.554 9.048 -9.803 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.247 8.603 -9.896 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.160 6.968 -8.178 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.335 8.776 -7.859 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.169 6.549 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.344 8.381 -5.441 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.279 7.295 -4.381 1.00 0.00 H new ATOM 111 N GLU A 8 -0.526 7.147 -10.978 1.00 0.00 N ATOM 112 CA GLU A 8 0.838 6.719 -10.931 1.00 0.00 C ATOM 113 C GLU A 8 1.650 7.724 -10.187 1.00 0.00 C ATOM 114 O GLU A 8 1.643 8.903 -10.538 1.00 0.00 O ATOM 115 CB GLU A 8 1.402 6.558 -12.352 1.00 0.00 C ATOM 116 CG GLU A 8 0.478 5.770 -13.283 1.00 0.00 C ATOM 117 CD GLU A 8 1.120 5.372 -14.605 1.00 0.00 C ATOM 118 OE1 GLU A 8 2.327 5.642 -14.844 1.00 0.00 O ATOM 119 OE2 GLU A 8 0.390 4.782 -15.446 1.00 0.00 O ATOM 0 H GLU A 8 -0.666 7.983 -11.545 1.00 0.00 H new ATOM 0 HA GLU A 8 0.885 5.756 -10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.581 7.545 -12.779 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.367 6.055 -12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.143 4.869 -12.768 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.410 6.368 -13.488 1.00 0.00 H new ATOM 126 N VAL A 9 2.357 7.320 -9.118 1.00 0.00 N ATOM 127 CA VAL A 9 3.228 8.198 -8.399 1.00 0.00 C ATOM 128 C VAL A 9 4.659 7.956 -8.736 1.00 0.00 C ATOM 129 O VAL A 9 5.084 6.853 -9.076 1.00 0.00 O ATOM 130 CB VAL A 9 3.027 8.204 -6.912 1.00 0.00 C ATOM 131 CG1 VAL A 9 1.569 8.592 -6.613 1.00 0.00 C ATOM 132 CG2 VAL A 9 3.385 6.849 -6.280 1.00 0.00 C ATOM 0 H VAL A 9 2.324 6.371 -8.746 1.00 0.00 H new ATOM 0 HA VAL A 9 2.947 9.195 -8.738 1.00 0.00 H new ATOM 0 HB VAL A 9 3.700 8.937 -6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.408 8.600 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.366 9.583 -7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.898 7.867 -7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.225 6.896 -5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.753 6.070 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.431 6.618 -6.482 1.00 0.00 H new ATOM 142 N GLU A 10 5.469 9.026 -8.662 1.00 0.00 N ATOM 143 CA GLU A 10 6.864 9.030 -8.974 1.00 0.00 C ATOM 144 C GLU A 10 7.521 9.881 -7.942 1.00 0.00 C ATOM 145 O GLU A 10 7.642 11.097 -8.088 1.00 0.00 O ATOM 146 CB GLU A 10 7.050 9.587 -10.396 1.00 0.00 C ATOM 147 CG GLU A 10 8.488 9.728 -10.901 1.00 0.00 C ATOM 148 CD GLU A 10 8.503 10.025 -12.393 1.00 0.00 C ATOM 149 OE1 GLU A 10 8.250 9.087 -13.196 1.00 0.00 O ATOM 150 OE2 GLU A 10 8.747 11.195 -12.790 1.00 0.00 O ATOM 0 H GLU A 10 5.130 9.942 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 10 7.307 8.034 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.509 8.940 -11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.577 10.568 -10.441 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.993 10.528 -10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.041 8.810 -10.701 1.00 0.00 H new ATOM 157 N LEU A 11 7.898 9.284 -6.798 1.00 0.00 N ATOM 158 CA LEU A 11 8.374 10.017 -5.666 1.00 0.00 C ATOM 159 C LEU A 11 9.602 9.381 -5.111 1.00 0.00 C ATOM 160 O LEU A 11 10.047 8.329 -5.571 1.00 0.00 O ATOM 161 CB LEU A 11 7.264 10.095 -4.604 1.00 0.00 C ATOM 162 CG LEU A 11 7.185 11.407 -3.807 1.00 0.00 C ATOM 163 CD1 LEU A 11 6.637 12.554 -4.675 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.302 11.233 -2.559 1.00 0.00 C ATOM 0 H LEU A 11 7.872 8.274 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 11 8.636 11.029 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.305 9.934 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.403 9.274 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 11 8.198 11.662 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.593 13.469 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.293 12.707 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.637 12.300 -5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.260 12.173 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.296 10.944 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.724 10.458 -1.920 1.00 0.00 H new ATOM 176 N ALA A 12 10.200 10.006 -4.082 1.00 0.00 N ATOM 177 CA ALA A 12 11.262 9.458 -3.298 1.00 0.00 C ATOM 178 C ALA A 12 11.065 9.843 -1.872 1.00 0.00 C ATOM 179 O ALA A 12 10.174 10.620 -1.529 1.00 0.00 O ATOM 180 CB ALA A 12 12.624 9.930 -3.834 1.00 0.00 C ATOM 0 H ALA A 12 9.928 10.942 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 12 11.250 8.370 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.422 9.504 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.741 9.603 -4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.675 11.018 -3.789 1.00 0.00 H new ATOM 186 N LYS A 13 11.889 9.292 -0.964 1.00 0.00 N ATOM 187 CA LYS A 13 11.827 9.484 0.452 1.00 0.00 C ATOM 188 C LYS A 13 12.187 10.864 0.880 1.00 0.00 C ATOM 189 O LYS A 13 13.153 11.455 0.401 1.00 0.00 O ATOM 190 CB LYS A 13 12.754 8.446 1.108 1.00 0.00 C ATOM 191 CG LYS A 13 12.637 8.322 2.628 1.00 0.00 C ATOM 192 CD LYS A 13 13.522 7.204 3.185 1.00 0.00 C ATOM 193 CE LYS A 13 13.497 7.103 4.711 1.00 0.00 C ATOM 194 NZ LYS A 13 14.282 8.197 5.327 1.00 0.00 N ATOM 0 H LYS A 13 12.650 8.670 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 13 10.794 9.347 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.549 7.471 0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.785 8.698 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.916 9.269 3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.598 8.129 2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.200 6.253 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.549 7.368 2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.467 7.145 5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.902 6.140 5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.250 8.107 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.269 8.140 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.879 9.114 5.047 1.00 0.00 H new ATOM 208 N ASN A 14 11.395 11.467 1.785 1.00 0.00 N ATOM 209 CA ASN A 14 11.617 12.783 2.299 1.00 0.00 C ATOM 210 C ASN A 14 11.744 12.727 3.784 1.00 0.00 C ATOM 211 O ASN A 14 12.777 12.310 4.305 1.00 0.00 O ATOM 212 CB ASN A 14 10.497 13.735 1.844 1.00 0.00 C ATOM 213 CG ASN A 14 10.671 14.136 0.387 1.00 0.00 C ATOM 214 OD1 ASN A 14 11.324 15.131 0.072 1.00 0.00 O ATOM 215 ND2 ASN A 14 10.056 13.373 -0.556 1.00 0.00 N ATOM 0 H ASN A 14 10.566 11.019 2.175 1.00 0.00 H new ATOM 0 HA ASN A 14 12.551 13.180 1.900 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.529 13.252 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.497 14.626 2.471 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.132 13.622 -1.542 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.519 12.552 -0.277 1.00 0.00 H new ATOM 222 N ASP A 15 10.709 13.108 4.553 1.00 0.00 N ATOM 223 CA ASP A 15 10.680 12.929 5.972 1.00 0.00 C ATOM 224 C ASP A 15 10.478 11.499 6.338 1.00 0.00 C ATOM 225 O ASP A 15 10.993 11.018 7.346 1.00 0.00 O ATOM 226 CB ASP A 15 9.549 13.743 6.623 1.00 0.00 C ATOM 227 CG ASP A 15 10.062 15.118 7.024 1.00 0.00 C ATOM 228 OD1 ASP A 15 10.832 15.170 8.021 1.00 0.00 O ATOM 229 OD2 ASP A 15 9.713 16.143 6.379 1.00 0.00 O ATOM 0 H ASP A 15 9.870 13.552 4.179 1.00 0.00 H new ATOM 0 HA ASP A 15 11.646 13.276 6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.716 13.845 5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.169 13.218 7.499 1.00 0.00 H new ATOM 234 N ASN A 16 9.709 10.779 5.502 1.00 0.00 N ATOM 235 CA ASN A 16 9.481 9.371 5.595 1.00 0.00 C ATOM 236 C ASN A 16 9.277 8.926 4.188 1.00 0.00 C ATOM 237 O ASN A 16 9.395 9.725 3.260 1.00 0.00 O ATOM 238 CB ASN A 16 8.281 9.111 6.521 1.00 0.00 C ATOM 239 CG ASN A 16 8.095 7.640 6.866 1.00 0.00 C ATOM 240 OD1 ASN A 16 8.996 6.823 6.688 1.00 0.00 O ATOM 241 ND2 ASN A 16 6.858 7.270 7.292 1.00 0.00 N ATOM 0 H ASN A 16 9.218 11.205 4.716 1.00 0.00 H new ATOM 0 HA ASN A 16 10.304 8.809 6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.412 9.679 7.442 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.375 9.482 6.043 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.654 6.287 7.474 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.134 7.975 7.429 1.00 0.00 H new ATOM 248 N SER A 17 8.968 7.634 3.981 1.00 0.00 N ATOM 249 CA SER A 17 8.650 7.064 2.709 1.00 0.00 C ATOM 250 C SER A 17 7.215 7.330 2.408 1.00 0.00 C ATOM 251 O SER A 17 6.913 8.129 1.522 1.00 0.00 O ATOM 252 CB SER A 17 8.975 5.562 2.660 1.00 0.00 C ATOM 253 OG SER A 17 8.713 4.999 1.382 1.00 0.00 O ATOM 0 H SER A 17 8.939 6.953 4.739 1.00 0.00 H new ATOM 0 HA SER A 17 9.268 7.531 1.943 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.024 5.410 2.914 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.386 5.039 3.413 1.00 0.00 H new ATOM 0 HG SER A 17 8.934 4.044 1.393 1.00 0.00 H new ATOM 259 N LEU A 18 6.263 6.728 3.143 1.00 0.00 N ATOM 260 CA LEU A 18 4.881 7.067 3.000 1.00 0.00 C ATOM 261 C LEU A 18 4.437 7.958 4.109 1.00 0.00 C ATOM 262 O LEU A 18 4.346 9.175 3.955 1.00 0.00 O ATOM 263 CB LEU A 18 3.973 5.835 2.858 1.00 0.00 C ATOM 264 CG LEU A 18 3.916 5.254 1.435 1.00 0.00 C ATOM 265 CD1 LEU A 18 5.192 4.513 1.003 1.00 0.00 C ATOM 266 CD2 LEU A 18 2.714 4.304 1.292 1.00 0.00 C ATOM 0 H LEU A 18 6.451 6.005 3.838 1.00 0.00 H new ATOM 0 HA LEU A 18 4.784 7.616 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.321 5.060 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.964 6.104 3.169 1.00 0.00 H new ATOM 0 HG LEU A 18 3.813 6.116 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.067 4.135 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.039 5.199 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.376 3.679 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.687 3.901 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.810 3.486 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.792 4.851 1.489 1.00 0.00 H new ATOM 278 N GLY A 19 4.109 7.389 5.283 1.00 0.00 N ATOM 279 CA GLY A 19 3.424 8.067 6.339 1.00 0.00 C ATOM 280 C GLY A 19 1.982 7.696 6.302 1.00 0.00 C ATOM 281 O GLY A 19 1.097 8.549 6.256 1.00 0.00 O ATOM 0 H GLY A 19 4.330 6.418 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.857 7.797 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.538 9.145 6.229 1.00 0.00 H new ATOM 285 N ILE A 20 1.697 6.382 6.300 1.00 0.00 N ATOM 286 CA ILE A 20 0.372 5.871 6.135 1.00 0.00 C ATOM 287 C ILE A 20 0.143 4.725 7.060 1.00 0.00 C ATOM 288 O ILE A 20 1.079 4.135 7.597 1.00 0.00 O ATOM 289 CB ILE A 20 0.141 5.534 4.692 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.335 5.653 4.275 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.754 4.176 4.306 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.493 6.065 2.813 1.00 0.00 C ATOM 0 H ILE A 20 2.405 5.657 6.416 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.365 6.628 6.404 1.00 0.00 H new ATOM 0 HB ILE A 20 0.673 6.292 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.834 4.698 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.832 6.384 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.561 3.976 3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.830 4.200 4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.306 3.389 4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.553 6.135 2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.019 7.034 2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.021 5.321 2.172 1.00 0.00 H new ATOM 304 N SER A 21 -1.132 4.368 7.297 1.00 0.00 N ATOM 305 CA SER A 21 -1.518 3.191 8.011 1.00 0.00 C ATOM 306 C SER A 21 -2.391 2.408 7.092 1.00 0.00 C ATOM 307 O SER A 21 -3.164 2.965 6.313 1.00 0.00 O ATOM 308 CB SER A 21 -2.240 3.507 9.331 1.00 0.00 C ATOM 309 OG SER A 21 -2.572 2.322 10.040 1.00 0.00 O ATOM 0 H SER A 21 -1.926 4.922 6.978 1.00 0.00 H new ATOM 0 HA SER A 21 -0.633 2.624 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.604 4.138 9.952 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.147 4.074 9.124 1.00 0.00 H new ATOM 0 HG SER A 21 -3.028 2.557 10.875 1.00 0.00 H new ATOM 315 N VAL A 22 -2.259 1.071 7.115 1.00 0.00 N ATOM 316 CA VAL A 22 -2.809 0.157 6.162 1.00 0.00 C ATOM 317 C VAL A 22 -3.493 -0.935 6.909 1.00 0.00 C ATOM 318 O VAL A 22 -3.065 -1.338 7.991 1.00 0.00 O ATOM 319 CB VAL A 22 -1.717 -0.332 5.257 1.00 0.00 C ATOM 320 CG1 VAL A 22 -1.932 -1.749 4.699 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.584 0.666 4.095 1.00 0.00 C ATOM 0 H VAL A 22 -1.733 0.597 7.849 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.551 0.634 5.521 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.809 -0.394 5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.094 -2.018 4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.999 -2.459 5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.856 -1.776 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.795 0.335 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.528 0.720 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.335 1.651 4.488 1.00 0.00 H new ATOM 331 N THR A 23 -4.600 -1.468 6.364 1.00 0.00 N ATOM 332 CA THR A 23 -5.425 -2.406 7.061 1.00 0.00 C ATOM 333 C THR A 23 -5.818 -3.517 6.150 1.00 0.00 C ATOM 334 O THR A 23 -6.504 -3.346 5.142 1.00 0.00 O ATOM 335 CB THR A 23 -6.605 -1.766 7.730 1.00 0.00 C ATOM 336 OG1 THR A 23 -7.354 -2.680 8.518 1.00 0.00 O ATOM 337 CG2 THR A 23 -7.573 -1.077 6.754 1.00 0.00 C ATOM 0 H THR A 23 -4.928 -1.245 5.424 1.00 0.00 H new ATOM 0 HA THR A 23 -4.834 -2.826 7.875 1.00 0.00 H new ATOM 0 HB THR A 23 -6.154 -1.008 8.371 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.109 -2.212 8.932 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.400 -0.638 7.311 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.045 -0.293 6.210 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.961 -1.811 6.047 1.00 0.00 H new ATOM 345 N GLY A 24 -5.339 -4.734 6.463 1.00 0.00 N ATOM 346 CA GLY A 24 -5.762 -5.953 5.846 1.00 0.00 C ATOM 347 C GLY A 24 -5.338 -6.157 4.432 1.00 0.00 C ATOM 348 O GLY A 24 -4.676 -5.330 3.806 1.00 0.00 O ATOM 0 H GLY A 24 -4.625 -4.875 7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.386 -6.786 6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.850 -5.998 5.887 1.00 0.00 H new ATOM 352 N GLY A 25 -5.726 -7.319 3.877 1.00 0.00 N ATOM 353 CA GLY A 25 -5.413 -7.687 2.531 1.00 0.00 C ATOM 354 C GLY A 25 -4.548 -8.898 2.467 1.00 0.00 C ATOM 355 O GLY A 25 -3.394 -8.859 2.043 1.00 0.00 O ATOM 0 H GLY A 25 -6.272 -8.021 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.336 -7.872 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.910 -6.856 2.036 1.00 0.00 H new ATOM 359 N VAL A 26 -5.104 -10.033 2.927 1.00 0.00 N ATOM 360 CA VAL A 26 -4.407 -11.273 3.071 1.00 0.00 C ATOM 361 C VAL A 26 -4.844 -12.269 2.052 1.00 0.00 C ATOM 362 O VAL A 26 -4.052 -12.699 1.215 1.00 0.00 O ATOM 363 CB VAL A 26 -4.473 -11.770 4.485 1.00 0.00 C ATOM 364 CG1 VAL A 26 -5.824 -11.455 5.151 1.00 0.00 C ATOM 365 CG2 VAL A 26 -4.097 -13.253 4.635 1.00 0.00 C ATOM 0 H VAL A 26 -6.082 -10.089 3.211 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.350 -11.103 2.868 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.706 -11.212 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.823 -11.834 6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.980 -10.376 5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.627 -11.931 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.167 -13.542 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.780 -13.863 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.077 -13.407 4.284 1.00 0.00 H new ATOM 375 N ASN A 27 -6.117 -12.701 2.088 1.00 0.00 N ATOM 376 CA ASN A 27 -6.595 -13.838 1.365 1.00 0.00 C ATOM 377 C ASN A 27 -7.514 -13.470 0.251 1.00 0.00 C ATOM 378 O ASN A 27 -7.069 -13.140 -0.848 1.00 0.00 O ATOM 379 CB ASN A 27 -7.136 -14.903 2.334 1.00 0.00 C ATOM 380 CG ASN A 27 -8.033 -14.339 3.427 1.00 0.00 C ATOM 381 OD1 ASN A 27 -9.156 -13.906 3.176 1.00 0.00 O ATOM 382 ND2 ASN A 27 -7.526 -14.302 4.689 1.00 0.00 N ATOM 0 H ASN A 27 -6.840 -12.241 2.641 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.754 -14.302 0.850 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.695 -15.647 1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.296 -15.420 2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.080 -13.909 5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.592 -14.667 4.874 1.00 0.00 H new ATOM 389 N THR A 28 -8.844 -13.513 0.446 1.00 0.00 N ATOM 390 CA THR A 28 -9.808 -13.276 -0.584 1.00 0.00 C ATOM 391 C THR A 28 -10.791 -12.278 -0.077 1.00 0.00 C ATOM 392 O THR A 28 -11.793 -12.631 0.544 1.00 0.00 O ATOM 393 CB THR A 28 -10.555 -14.497 -1.033 1.00 0.00 C ATOM 394 OG1 THR A 28 -11.121 -15.226 0.047 1.00 0.00 O ATOM 395 CG2 THR A 28 -9.597 -15.449 -1.767 1.00 0.00 C ATOM 0 H THR A 28 -9.263 -13.720 1.352 1.00 0.00 H new ATOM 0 HA THR A 28 -9.255 -12.922 -1.454 1.00 0.00 H new ATOM 0 HB THR A 28 -11.358 -14.143 -1.680 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.661 -14.624 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.143 -16.335 -2.092 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.176 -14.943 -2.636 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.792 -15.745 -1.094 1.00 0.00 H new ATOM 403 N SER A 29 -10.535 -10.979 -0.312 1.00 0.00 N ATOM 404 CA SER A 29 -11.339 -9.914 0.203 1.00 0.00 C ATOM 405 C SER A 29 -11.606 -8.924 -0.877 1.00 0.00 C ATOM 406 O SER A 29 -12.582 -9.045 -1.617 1.00 0.00 O ATOM 407 CB SER A 29 -10.729 -9.255 1.451 1.00 0.00 C ATOM 408 OG SER A 29 -9.385 -8.834 1.267 1.00 0.00 O ATOM 0 H SER A 29 -9.747 -10.660 -0.876 1.00 0.00 H new ATOM 0 HA SER A 29 -12.287 -10.338 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.336 -8.394 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.771 -9.959 2.282 1.00 0.00 H new ATOM 0 HG SER A 29 -9.055 -8.423 2.093 1.00 0.00 H new ATOM 414 N VAL A 30 -10.727 -7.916 -1.023 1.00 0.00 N ATOM 415 CA VAL A 30 -10.759 -6.894 -2.023 1.00 0.00 C ATOM 416 C VAL A 30 -10.515 -7.467 -3.376 1.00 0.00 C ATOM 417 O VAL A 30 -11.381 -7.386 -4.245 1.00 0.00 O ATOM 418 CB VAL A 30 -9.890 -5.736 -1.631 1.00 0.00 C ATOM 419 CG1 VAL A 30 -8.436 -6.123 -1.314 1.00 0.00 C ATOM 420 CG2 VAL A 30 -9.924 -4.595 -2.663 1.00 0.00 C ATOM 0 H VAL A 30 -9.933 -7.809 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.759 -6.466 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.331 -5.375 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.874 -5.231 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.420 -6.831 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.982 -6.582 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.278 -3.783 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.573 -4.965 -3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.945 -4.227 -2.765 1.00 0.00 H new ATOM 430 N ARG A 31 -9.366 -8.134 -3.592 1.00 0.00 N ATOM 431 CA ARG A 31 -9.092 -8.990 -4.704 1.00 0.00 C ATOM 432 C ARG A 31 -8.621 -10.275 -4.117 1.00 0.00 C ATOM 433 O ARG A 31 -8.938 -10.609 -2.976 1.00 0.00 O ATOM 434 CB ARG A 31 -8.010 -8.382 -5.614 1.00 0.00 C ATOM 435 CG ARG A 31 -8.356 -7.060 -6.301 1.00 0.00 C ATOM 436 CD ARG A 31 -8.539 -7.141 -7.818 1.00 0.00 C ATOM 437 NE ARG A 31 -9.898 -7.681 -8.106 1.00 0.00 N ATOM 438 CZ ARG A 31 -10.324 -8.039 -9.352 1.00 0.00 C ATOM 439 NH1 ARG A 31 -9.487 -8.140 -10.426 1.00 0.00 N ATOM 440 NH2 ARG A 31 -11.652 -8.299 -9.532 1.00 0.00 N ATOM 0 H ARG A 31 -8.578 -8.070 -2.947 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.977 -9.130 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.110 -8.231 -5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.764 -9.112 -6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.274 -6.670 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.567 -6.339 -6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.421 -6.154 -8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.776 -7.784 -8.257 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.547 -7.789 -7.327 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.492 -7.944 -10.317 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.857 -8.412 -11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.298 -8.223 -8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.999 -8.569 -10.453 1.00 0.00 H new ATOM 454 N HIS A 32 -7.801 -11.048 -4.851 1.00 0.00 N ATOM 455 CA HIS A 32 -7.018 -12.118 -4.316 1.00 0.00 C ATOM 456 C HIS A 32 -5.753 -11.574 -3.747 1.00 0.00 C ATOM 457 O HIS A 32 -4.735 -11.413 -4.418 1.00 0.00 O ATOM 458 CB HIS A 32 -6.755 -13.234 -5.341 1.00 0.00 C ATOM 459 CG HIS A 32 -6.119 -12.858 -6.647 1.00 0.00 C ATOM 460 ND1 HIS A 32 -5.939 -13.866 -7.572 1.00 0.00 N ATOM 461 CD2 HIS A 32 -5.625 -11.685 -7.127 1.00 0.00 C ATOM 462 CE1 HIS A 32 -5.334 -13.296 -8.597 1.00 0.00 C ATOM 463 NE2 HIS A 32 -5.115 -11.971 -8.376 1.00 0.00 N ATOM 0 H HIS A 32 -7.679 -10.923 -5.856 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.591 -12.588 -3.517 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.121 -13.982 -4.864 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.707 -13.716 -5.561 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.631 -10.726 -6.631 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.048 -13.816 -9.499 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.661 -11.315 -9.012 1.00 0.00 H new ATOM 471 N GLY A 33 -5.803 -11.191 -2.457 1.00 0.00 N ATOM 472 CA GLY A 33 -4.889 -10.275 -1.850 1.00 0.00 C ATOM 473 C GLY A 33 -5.318 -8.872 -2.107 1.00 0.00 C ATOM 474 O GLY A 33 -6.474 -8.590 -2.422 1.00 0.00 O ATOM 0 H GLY A 33 -6.512 -11.536 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.840 -10.457 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.886 -10.435 -2.246 1.00 0.00 H new ATOM 478 N GLY A 34 -4.378 -7.917 -1.998 1.00 0.00 N ATOM 479 CA GLY A 34 -4.622 -6.534 -2.268 1.00 0.00 C ATOM 480 C GLY A 34 -4.814 -5.740 -1.022 1.00 0.00 C ATOM 481 O GLY A 34 -5.458 -6.178 -0.069 1.00 0.00 O ATOM 0 H GLY A 34 -3.418 -8.113 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.785 -6.123 -2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.508 -6.440 -2.897 1.00 0.00 H new ATOM 485 N ILE A 35 -4.265 -4.513 -0.982 1.00 0.00 N ATOM 486 CA ILE A 35 -3.923 -3.842 0.232 1.00 0.00 C ATOM 487 C ILE A 35 -4.609 -2.519 0.263 1.00 0.00 C ATOM 488 O ILE A 35 -4.657 -1.797 -0.732 1.00 0.00 O ATOM 489 CB ILE A 35 -2.438 -3.633 0.277 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.654 -4.955 0.242 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.001 -2.797 1.492 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.836 -5.840 1.475 1.00 0.00 C ATOM 0 H ILE A 35 -4.053 -3.972 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.234 -4.440 1.089 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.198 -3.074 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.958 -5.518 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.594 -4.730 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.918 -2.674 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.478 -1.818 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.297 -3.306 2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.246 -6.749 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.503 -5.301 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.889 -6.102 1.583 1.00 0.00 H new ATOM 504 N TYR A 36 -5.188 -2.144 1.417 1.00 0.00 N ATOM 505 CA TYR A 36 -6.049 -1.009 1.549 1.00 0.00 C ATOM 506 C TYR A 36 -5.568 -0.086 2.616 1.00 0.00 C ATOM 507 O TYR A 36 -5.095 -0.503 3.672 1.00 0.00 O ATOM 508 CB TYR A 36 -7.468 -1.488 1.894 1.00 0.00 C ATOM 509 CG TYR A 36 -8.492 -0.826 1.038 1.00 0.00 C ATOM 510 CD1 TYR A 36 -8.592 -1.166 -0.290 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.365 0.100 1.562 1.00 0.00 C ATOM 512 CE1 TYR A 36 -9.564 -0.605 -1.084 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.342 0.660 0.774 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.447 0.303 -0.550 1.00 0.00 C ATOM 515 OH TYR A 36 -11.458 0.853 -1.367 1.00 0.00 O ATOM 0 H TYR A 36 -5.052 -2.650 2.292 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.050 -0.467 0.603 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.529 -2.569 1.766 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.679 -1.279 2.943 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.901 -1.880 -0.713 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.282 0.389 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.634 -0.878 -2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.028 1.381 1.195 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.000 1.477 -0.841 1.00 0.00 H new ATOM 525 N VAL A 37 -5.675 1.235 2.386 1.00 0.00 N ATOM 526 CA VAL A 37 -5.297 2.238 3.334 1.00 0.00 C ATOM 527 C VAL A 37 -6.305 2.389 4.420 1.00 0.00 C ATOM 528 O VAL A 37 -7.513 2.461 4.194 1.00 0.00 O ATOM 529 CB VAL A 37 -5.032 3.555 2.667 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.854 4.718 3.659 1.00 0.00 C ATOM 531 CG2 VAL A 37 -3.765 3.433 1.804 1.00 0.00 C ATOM 0 H VAL A 37 -6.036 1.618 1.512 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.368 1.900 3.793 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.908 3.787 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.666 5.640 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.760 4.830 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.010 4.509 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.565 4.386 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.919 3.164 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.912 2.662 1.048 1.00 0.00 H new ATOM 541 N LYS A 38 -5.827 2.469 5.675 1.00 0.00 N ATOM 542 CA LYS A 38 -6.613 2.741 6.838 1.00 0.00 C ATOM 543 C LYS A 38 -6.794 4.210 7.012 1.00 0.00 C ATOM 544 O LYS A 38 -7.925 4.693 7.035 1.00 0.00 O ATOM 545 CB LYS A 38 -5.941 2.134 8.081 1.00 0.00 C ATOM 546 CG LYS A 38 -6.739 2.288 9.378 1.00 0.00 C ATOM 547 CD LYS A 38 -6.090 1.525 10.534 1.00 0.00 C ATOM 548 CE LYS A 38 -6.730 1.839 11.888 1.00 0.00 C ATOM 549 NZ LYS A 38 -6.165 0.947 12.925 1.00 0.00 N ATOM 0 H LYS A 38 -4.839 2.337 5.889 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.595 2.286 6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.766 1.073 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.965 2.600 8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.815 3.344 9.636 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.755 1.924 9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.163 0.454 10.343 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.029 1.770 10.574 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.550 2.881 12.153 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.810 1.707 11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.602 1.163 13.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.358 -0.044 12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.137 1.094 12.987 1.00 0.00 H new ATOM 563 N ALA A 39 -5.689 4.969 7.120 1.00 0.00 N ATOM 564 CA ALA A 39 -5.701 6.397 7.177 1.00 0.00 C ATOM 565 C ALA A 39 -4.325 6.917 6.945 1.00 0.00 C ATOM 566 O ALA A 39 -3.350 6.169 6.992 1.00 0.00 O ATOM 567 CB ALA A 39 -6.254 6.928 8.511 1.00 0.00 C ATOM 0 H ALA A 39 -4.751 4.572 7.170 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.370 6.753 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.241 8.018 8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.278 6.578 8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.636 6.565 9.332 1.00 0.00 H new ATOM 573 N VAL A 40 -4.197 8.226 6.662 1.00 0.00 N ATOM 574 CA VAL A 40 -2.958 8.887 6.399 1.00 0.00 C ATOM 575 C VAL A 40 -2.418 9.503 7.644 1.00 0.00 C ATOM 576 O VAL A 40 -3.084 10.301 8.301 1.00 0.00 O ATOM 577 CB VAL A 40 -3.088 9.937 5.335 1.00 0.00 C ATOM 578 CG1 VAL A 40 -1.701 10.469 4.938 1.00 0.00 C ATOM 579 CG2 VAL A 40 -3.775 9.335 4.098 1.00 0.00 C ATOM 0 H VAL A 40 -4.999 8.854 6.615 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.266 8.127 6.036 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.686 10.760 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.811 11.230 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.215 10.905 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.093 9.649 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.869 10.099 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.178 8.506 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.766 8.973 4.372 1.00 0.00 H new ATOM 589 N ILE A 41 -1.179 9.154 8.034 1.00 0.00 N ATOM 590 CA ILE A 41 -0.561 9.604 9.243 1.00 0.00 C ATOM 591 C ILE A 41 0.046 10.949 9.041 1.00 0.00 C ATOM 592 O ILE A 41 0.783 11.114 8.071 1.00 0.00 O ATOM 593 CB ILE A 41 0.472 8.633 9.734 1.00 0.00 C ATOM 594 CG1 ILE A 41 -0.083 7.208 9.896 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.105 9.101 11.056 1.00 0.00 C ATOM 596 CD1 ILE A 41 -1.224 7.055 10.902 1.00 0.00 C ATOM 0 H ILE A 41 -0.584 8.534 7.485 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.336 9.673 10.006 1.00 0.00 H new ATOM 0 HB ILE A 41 1.243 8.603 8.964 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.431 6.860 8.923 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.733 6.551 10.197 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.848 8.373 11.381 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.585 10.068 10.907 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.331 9.194 11.817 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.540 6.012 10.938 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.882 7.365 11.890 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.064 7.678 10.597 1.00 0.00 H new ATOM 608 N PRO A 42 -0.149 11.957 9.838 1.00 0.00 N ATOM 609 CA PRO A 42 0.567 13.194 9.727 1.00 0.00 C ATOM 610 C PRO A 42 1.980 13.076 10.184 1.00 0.00 C ATOM 611 O PRO A 42 2.317 13.438 11.311 1.00 0.00 O ATOM 612 CB PRO A 42 -0.252 14.176 10.561 1.00 0.00 C ATOM 613 CG PRO A 42 -0.908 13.305 11.644 1.00 0.00 C ATOM 614 CD PRO A 42 -1.169 12.000 10.875 1.00 0.00 C ATOM 0 HA PRO A 42 0.664 13.526 8.693 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.380 14.947 11.001 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.000 14.685 9.954 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.251 13.152 12.500 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.829 13.748 12.024 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.098 11.134 11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.170 11.991 10.443 1.00 0.00 H new ATOM 622 N GLN A 43 2.857 12.549 9.311 1.00 0.00 N ATOM 623 CA GLN A 43 4.239 12.310 9.589 1.00 0.00 C ATOM 624 C GLN A 43 5.107 12.614 8.416 1.00 0.00 C ATOM 625 O GLN A 43 6.205 13.143 8.578 1.00 0.00 O ATOM 626 CB GLN A 43 4.442 10.847 10.019 1.00 0.00 C ATOM 627 CG GLN A 43 5.863 10.473 10.447 1.00 0.00 C ATOM 628 CD GLN A 43 6.307 11.184 11.718 1.00 0.00 C ATOM 629 OE1 GLN A 43 7.174 12.057 11.725 1.00 0.00 O ATOM 630 NE2 GLN A 43 5.701 10.784 12.867 1.00 0.00 N ATOM 0 H GLN A 43 2.589 12.276 8.365 1.00 0.00 H new ATOM 0 HA GLN A 43 4.530 12.979 10.399 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.765 10.633 10.846 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.149 10.200 9.192 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.918 9.395 10.602 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.555 10.715 9.641 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.984 10.059 12.840 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.963 11.209 13.756 1.00 0.00 H new ATOM 639 N GLY A 44 4.684 12.286 7.183 1.00 0.00 N ATOM 640 CA GLY A 44 5.543 12.432 6.048 1.00 0.00 C ATOM 641 C GLY A 44 4.842 12.655 4.753 1.00 0.00 C ATOM 642 O GLY A 44 3.792 13.293 4.682 1.00 0.00 O ATOM 0 H GLY A 44 3.755 11.922 6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.218 13.269 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.160 11.538 5.961 1.00 0.00 H new ATOM 646 N ALA A 45 5.450 12.125 3.678 1.00 0.00 N ATOM 647 CA ALA A 45 5.190 12.388 2.296 1.00 0.00 C ATOM 648 C ALA A 45 3.779 12.254 1.837 1.00 0.00 C ATOM 649 O ALA A 45 3.289 13.097 1.088 1.00 0.00 O ATOM 650 CB ALA A 45 6.099 11.485 1.447 1.00 0.00 C ATOM 0 H ALA A 45 6.200 11.443 3.790 1.00 0.00 H new ATOM 0 HA ALA A 45 5.404 13.449 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.913 11.673 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.143 11.701 1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.887 10.440 1.672 1.00 0.00 H new ATOM 656 N ALA A 46 3.052 11.217 2.292 1.00 0.00 N ATOM 657 CA ALA A 46 1.690 10.972 1.935 1.00 0.00 C ATOM 658 C ALA A 46 0.771 12.103 2.247 1.00 0.00 C ATOM 659 O ALA A 46 0.007 12.555 1.395 1.00 0.00 O ATOM 660 CB ALA A 46 1.201 9.679 2.608 1.00 0.00 C ATOM 0 H ALA A 46 3.430 10.521 2.935 1.00 0.00 H new ATOM 0 HA ALA A 46 1.668 10.864 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.162 9.496 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.816 8.842 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.277 9.781 3.691 1.00 0.00 H new ATOM 666 N GLU A 47 0.875 12.638 3.477 1.00 0.00 N ATOM 667 CA GLU A 47 0.196 13.809 3.936 1.00 0.00 C ATOM 668 C GLU A 47 0.755 15.054 3.338 1.00 0.00 C ATOM 669 O GLU A 47 0.026 15.850 2.748 1.00 0.00 O ATOM 670 CB GLU A 47 0.258 13.894 5.470 1.00 0.00 C ATOM 671 CG GLU A 47 -0.328 15.154 6.111 1.00 0.00 C ATOM 672 CD GLU A 47 -1.776 15.413 5.725 1.00 0.00 C ATOM 673 OE1 GLU A 47 -2.631 14.522 5.978 1.00 0.00 O ATOM 674 OE2 GLU A 47 -2.089 16.500 5.169 1.00 0.00 O ATOM 0 H GLU A 47 1.471 12.226 4.195 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.842 13.726 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.263 13.029 5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.301 13.811 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.259 15.066 7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.276 16.014 5.822 1.00 0.00 H new ATOM 681 N SER A 48 2.074 15.279 3.471 1.00 0.00 N ATOM 682 CA SER A 48 2.743 16.494 3.122 1.00 0.00 C ATOM 683 C SER A 48 2.624 16.869 1.684 1.00 0.00 C ATOM 684 O SER A 48 2.134 17.947 1.351 1.00 0.00 O ATOM 685 CB SER A 48 4.226 16.473 3.529 1.00 0.00 C ATOM 686 OG SER A 48 4.829 17.753 3.420 1.00 0.00 O ATOM 0 H SER A 48 2.709 14.573 3.843 1.00 0.00 H new ATOM 0 HA SER A 48 2.220 17.261 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.314 16.118 4.556 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.764 15.765 2.899 1.00 0.00 H new ATOM 0 HG SER A 48 5.770 17.696 3.689 1.00 0.00 H new ATOM 692 N ASP A 49 3.029 15.970 0.769 1.00 0.00 N ATOM 693 CA ASP A 49 2.977 16.185 -0.643 1.00 0.00 C ATOM 694 C ASP A 49 1.568 16.145 -1.126 1.00 0.00 C ATOM 695 O ASP A 49 1.158 16.946 -1.964 1.00 0.00 O ATOM 696 CB ASP A 49 3.860 15.122 -1.319 1.00 0.00 C ATOM 697 CG ASP A 49 4.297 15.525 -2.720 1.00 0.00 C ATOM 698 OD1 ASP A 49 5.270 16.315 -2.845 1.00 0.00 O ATOM 699 OD2 ASP A 49 3.674 15.057 -3.711 1.00 0.00 O ATOM 0 H ASP A 49 3.407 15.058 1.023 1.00 0.00 H new ATOM 0 HA ASP A 49 3.359 17.174 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.743 14.945 -0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.313 14.181 -1.370 1.00 0.00 H new ATOM 704 N GLY A 50 0.757 15.224 -0.573 1.00 0.00 N ATOM 705 CA GLY A 50 -0.630 15.070 -0.885 1.00 0.00 C ATOM 706 C GLY A 50 -0.788 14.049 -1.960 1.00 0.00 C ATOM 707 O GLY A 50 -0.990 14.382 -3.126 1.00 0.00 O ATOM 0 H GLY A 50 1.085 14.556 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.182 14.766 0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.049 16.023 -1.209 1.00 0.00 H new ATOM 711 N ARG A 51 -0.687 12.757 -1.599 1.00 0.00 N ATOM 712 CA ARG A 51 -0.273 11.772 -2.550 1.00 0.00 C ATOM 713 C ARG A 51 -1.068 10.514 -2.494 1.00 0.00 C ATOM 714 O ARG A 51 -1.579 10.066 -3.518 1.00 0.00 O ATOM 715 CB ARG A 51 1.222 11.496 -2.319 1.00 0.00 C ATOM 716 CG ARG A 51 1.972 10.831 -3.476 1.00 0.00 C ATOM 717 CD ARG A 51 2.616 11.798 -4.471 1.00 0.00 C ATOM 718 NE ARG A 51 1.562 12.349 -5.369 1.00 0.00 N ATOM 719 CZ ARG A 51 1.786 13.387 -6.227 1.00 0.00 C ATOM 720 NH1 ARG A 51 2.851 14.229 -6.072 1.00 0.00 N ATOM 721 NH2 ARG A 51 0.923 13.615 -7.259 1.00 0.00 N ATOM 0 H ARG A 51 -0.888 12.398 -0.666 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.448 12.166 -3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.714 12.441 -2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.322 10.863 -1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.749 10.188 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.278 10.187 -4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.117 12.607 -3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.377 11.283 -5.057 1.00 0.00 H new ATOM 0 HE ARG A 51 0.632 11.932 -5.341 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.503 14.090 -5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.994 14.997 -6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.112 13.010 -7.389 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.089 14.390 -7.901 1.00 0.00 H new ATOM 735 N ILE A 52 -1.236 9.888 -1.315 1.00 0.00 N ATOM 736 CA ILE A 52 -1.973 8.673 -1.157 1.00 0.00 C ATOM 737 C ILE A 52 -2.954 8.931 -0.067 1.00 0.00 C ATOM 738 O ILE A 52 -2.599 9.522 0.953 1.00 0.00 O ATOM 739 CB ILE A 52 -1.140 7.479 -0.798 1.00 0.00 C ATOM 740 CG1 ILE A 52 0.088 7.304 -1.706 1.00 0.00 C ATOM 741 CG2 ILE A 52 -2.009 6.211 -0.866 1.00 0.00 C ATOM 742 CD1 ILE A 52 1.387 7.800 -1.072 1.00 0.00 C ATOM 0 H ILE A 52 -0.845 10.240 -0.441 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.431 8.421 -2.114 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.768 7.643 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.196 6.249 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.080 7.841 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.405 5.342 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.838 6.300 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.400 6.091 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.213 7.646 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.298 8.862 -0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.578 7.246 -0.153 1.00 0.00 H new ATOM 754 N HIS A 53 -4.231 8.550 -0.250 1.00 0.00 N ATOM 755 CA HIS A 53 -5.295 8.960 0.612 1.00 0.00 C ATOM 756 C HIS A 53 -6.009 7.833 1.277 1.00 0.00 C ATOM 757 O HIS A 53 -5.743 6.653 1.051 1.00 0.00 O ATOM 758 CB HIS A 53 -6.287 9.802 -0.210 1.00 0.00 C ATOM 759 CG HIS A 53 -5.641 11.057 -0.720 1.00 0.00 C ATOM 760 ND1 HIS A 53 -6.000 11.561 -1.953 1.00 0.00 N ATOM 761 CD2 HIS A 53 -4.834 11.936 -0.067 1.00 0.00 C ATOM 762 CE1 HIS A 53 -5.391 12.729 -2.044 1.00 0.00 C ATOM 763 NE2 HIS A 53 -4.684 13.012 -0.918 1.00 0.00 N ATOM 0 H HIS A 53 -4.530 7.944 -1.014 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.851 9.540 1.421 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.659 9.214 -1.049 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.149 10.058 0.406 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.400 11.816 0.915 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.448 13.378 -2.905 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.145 13.859 -0.737 1.00 0.00 H new ATOM 771 N LYS A 54 -6.938 8.169 2.189 1.00 0.00 N ATOM 772 CA LYS A 54 -7.721 7.255 2.962 1.00 0.00 C ATOM 773 C LYS A 54 -8.529 6.297 2.157 1.00 0.00 C ATOM 774 O LYS A 54 -9.459 6.665 1.440 1.00 0.00 O ATOM 775 CB LYS A 54 -8.577 8.029 3.980 1.00 0.00 C ATOM 776 CG LYS A 54 -9.154 7.239 5.157 1.00 0.00 C ATOM 777 CD LYS A 54 -10.347 6.341 4.827 1.00 0.00 C ATOM 778 CE LYS A 54 -11.084 5.819 6.061 1.00 0.00 C ATOM 779 NZ LYS A 54 -12.082 4.811 5.639 1.00 0.00 N ATOM 0 H LYS A 54 -7.156 9.143 2.400 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.017 6.618 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.970 8.840 4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.407 8.488 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.362 6.620 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.456 7.944 5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.048 6.897 4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.000 5.493 4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.376 5.377 6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.576 6.641 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.587 4.452 6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.762 5.248 4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.599 4.023 5.161 1.00 0.00 H new ATOM 793 N GLY A 55 -8.206 4.994 2.243 1.00 0.00 N ATOM 794 CA GLY A 55 -8.855 3.963 1.493 1.00 0.00 C ATOM 795 C GLY A 55 -8.468 3.873 0.057 1.00 0.00 C ATOM 796 O GLY A 55 -9.244 3.373 -0.755 1.00 0.00 O ATOM 0 H GLY A 55 -7.468 4.646 2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.645 3.005 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.932 4.118 1.552 1.00 0.00 H new ATOM 800 N ASP A 56 -7.257 4.319 -0.322 1.00 0.00 N ATOM 801 CA ASP A 56 -6.707 4.051 -1.615 1.00 0.00 C ATOM 802 C ASP A 56 -6.110 2.687 -1.663 1.00 0.00 C ATOM 803 O ASP A 56 -5.784 2.071 -0.649 1.00 0.00 O ATOM 804 CB ASP A 56 -5.654 5.099 -2.011 1.00 0.00 C ATOM 805 CG ASP A 56 -6.283 6.444 -2.344 1.00 0.00 C ATOM 806 OD1 ASP A 56 -7.535 6.544 -2.445 1.00 0.00 O ATOM 807 OD2 ASP A 56 -5.516 7.425 -2.542 1.00 0.00 O ATOM 0 H ASP A 56 -6.649 4.875 0.279 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.526 4.105 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.943 5.224 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.091 4.739 -2.872 1.00 0.00 H new ATOM 812 N ARG A 57 -5.947 2.148 -2.884 1.00 0.00 N ATOM 813 CA ARG A 57 -5.517 0.803 -3.112 1.00 0.00 C ATOM 814 C ARG A 57 -4.304 0.798 -3.978 1.00 0.00 C ATOM 815 O ARG A 57 -4.272 1.423 -5.037 1.00 0.00 O ATOM 816 CB ARG A 57 -6.648 -0.005 -3.770 1.00 0.00 C ATOM 817 CG ARG A 57 -6.320 -1.489 -3.949 1.00 0.00 C ATOM 818 CD ARG A 57 -7.544 -2.350 -4.266 1.00 0.00 C ATOM 819 NE ARG A 57 -8.159 -1.838 -5.522 1.00 0.00 N ATOM 820 CZ ARG A 57 -7.832 -2.261 -6.779 1.00 0.00 C ATOM 821 NH1 ARG A 57 -6.815 -3.147 -6.990 1.00 0.00 N ATOM 822 NH2 ARG A 57 -8.530 -1.798 -7.857 1.00 0.00 N ATOM 0 H ARG A 57 -6.121 2.668 -3.744 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.267 0.340 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.549 0.088 -3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.873 0.428 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.591 -1.598 -4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.849 -1.861 -3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.254 -3.394 -4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.261 -2.308 -3.446 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.877 -1.119 -5.437 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.281 -3.508 -6.200 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.589 -3.448 -7.938 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.295 -1.137 -7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.286 -2.113 -8.796 1.00 0.00 H new ATOM 836 N VAL A 58 -3.228 0.098 -3.574 1.00 0.00 N ATOM 837 CA VAL A 58 -2.042 -0.031 -4.360 1.00 0.00 C ATOM 838 C VAL A 58 -2.117 -1.229 -5.241 1.00 0.00 C ATOM 839 O VAL A 58 -2.975 -2.095 -5.074 1.00 0.00 O ATOM 840 CB VAL A 58 -0.799 -0.071 -3.521 1.00 0.00 C ATOM 841 CG1 VAL A 58 -0.663 1.269 -2.777 1.00 0.00 C ATOM 842 CG2 VAL A 58 -0.804 -1.244 -2.527 1.00 0.00 C ATOM 0 H VAL A 58 -3.182 -0.390 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.979 0.861 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 58 0.057 -0.226 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.237 1.254 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.595 2.082 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.534 1.422 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.116 -1.230 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.660 -1.151 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.872 -2.184 -3.074 1.00 0.00 H new ATOM 852 N LEU A 59 -1.220 -1.337 -6.238 1.00 0.00 N ATOM 853 CA LEU A 59 -1.041 -2.525 -7.014 1.00 0.00 C ATOM 854 C LEU A 59 0.406 -2.869 -7.108 1.00 0.00 C ATOM 855 O LEU A 59 0.893 -3.728 -6.375 1.00 0.00 O ATOM 856 CB LEU A 59 -1.686 -2.408 -8.405 1.00 0.00 C ATOM 857 CG LEU A 59 -3.194 -2.708 -8.414 1.00 0.00 C ATOM 858 CD1 LEU A 59 -3.820 -2.326 -9.765 1.00 0.00 C ATOM 859 CD2 LEU A 59 -3.486 -4.189 -8.118 1.00 0.00 C ATOM 0 H LEU A 59 -0.601 -0.575 -6.512 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.554 -3.339 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.523 -1.401 -8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.184 -3.094 -9.087 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.640 -2.105 -7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.887 -2.547 -9.747 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.673 -1.261 -9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.344 -2.898 -10.561 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.563 -4.358 -8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.010 -4.812 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.093 -4.448 -7.135 1.00 0.00 H new ATOM 871 N ALA A 60 1.161 -2.240 -8.027 1.00 0.00 N ATOM 872 CA ALA A 60 2.528 -2.577 -8.277 1.00 0.00 C ATOM 873 C ALA A 60 3.468 -1.645 -7.592 1.00 0.00 C ATOM 874 O ALA A 60 3.199 -0.448 -7.495 1.00 0.00 O ATOM 875 CB ALA A 60 2.812 -2.583 -9.788 1.00 0.00 C ATOM 0 H ALA A 60 0.813 -1.479 -8.610 1.00 0.00 H new ATOM 0 HA ALA A 60 2.692 -3.575 -7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.857 -2.841 -9.961 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.171 -3.317 -10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.610 -1.594 -10.200 1.00 0.00 H new ATOM 881 N VAL A 61 4.615 -2.147 -7.102 1.00 0.00 N ATOM 882 CA VAL A 61 5.645 -1.332 -6.536 1.00 0.00 C ATOM 883 C VAL A 61 6.899 -1.432 -7.337 1.00 0.00 C ATOM 884 O VAL A 61 7.636 -2.416 -7.303 1.00 0.00 O ATOM 885 CB VAL A 61 5.820 -1.559 -5.063 1.00 0.00 C ATOM 886 CG1 VAL A 61 6.170 -3.010 -4.695 1.00 0.00 C ATOM 887 CG2 VAL A 61 6.836 -0.561 -4.481 1.00 0.00 C ATOM 0 H VAL A 61 4.832 -3.144 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 61 5.331 -0.290 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 61 4.848 -1.378 -4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.280 -3.095 -3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.373 -3.673 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.105 -3.293 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.950 -0.740 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.798 -0.691 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.480 0.456 -4.642 1.00 0.00 H new ATOM 897 N ASN A 62 7.189 -0.390 -8.135 1.00 0.00 N ATOM 898 CA ASN A 62 8.339 -0.236 -8.971 1.00 0.00 C ATOM 899 C ASN A 62 8.497 -1.339 -9.960 1.00 0.00 C ATOM 900 O ASN A 62 9.548 -1.967 -10.081 1.00 0.00 O ATOM 901 CB ASN A 62 9.568 0.039 -8.089 1.00 0.00 C ATOM 902 CG ASN A 62 10.866 0.446 -8.773 1.00 0.00 C ATOM 903 OD1 ASN A 62 11.938 0.004 -8.365 1.00 0.00 O ATOM 904 ND2 ASN A 62 10.805 1.319 -9.814 1.00 0.00 N ATOM 0 H ASN A 62 6.564 0.413 -8.200 1.00 0.00 H new ATOM 0 HA ASN A 62 8.207 0.634 -9.614 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.302 0.826 -7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.767 -0.859 -7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.662 1.622 -10.276 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.902 1.670 -10.133 1.00 0.00 H new ATOM 911 N GLY A 63 7.418 -1.641 -10.705 1.00 0.00 N ATOM 912 CA GLY A 63 7.367 -2.724 -11.638 1.00 0.00 C ATOM 913 C GLY A 63 6.959 -4.028 -11.047 1.00 0.00 C ATOM 914 O GLY A 63 6.464 -4.914 -11.740 1.00 0.00 O ATOM 0 H GLY A 63 6.548 -1.111 -10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.670 -2.467 -12.436 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.349 -2.839 -12.097 1.00 0.00 H new ATOM 918 N VAL A 64 7.170 -4.228 -9.732 1.00 0.00 N ATOM 919 CA VAL A 64 6.914 -5.465 -9.064 1.00 0.00 C ATOM 920 C VAL A 64 5.490 -5.555 -8.636 1.00 0.00 C ATOM 921 O VAL A 64 5.061 -4.983 -7.635 1.00 0.00 O ATOM 922 CB VAL A 64 7.826 -5.697 -7.896 1.00 0.00 C ATOM 923 CG1 VAL A 64 7.628 -7.113 -7.330 1.00 0.00 C ATOM 924 CG2 VAL A 64 9.288 -5.523 -8.344 1.00 0.00 C ATOM 0 H VAL A 64 7.532 -3.502 -9.114 1.00 0.00 H new ATOM 0 HA VAL A 64 7.118 -6.253 -9.789 1.00 0.00 H new ATOM 0 HB VAL A 64 7.589 -4.972 -7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.298 -7.263 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.596 -7.232 -7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.850 -7.848 -8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.951 -5.691 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.516 -6.242 -9.131 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.434 -4.512 -8.724 1.00 0.00 H new ATOM 934 N SER A 65 4.677 -6.304 -9.403 1.00 0.00 N ATOM 935 CA SER A 65 3.392 -6.783 -9.000 1.00 0.00 C ATOM 936 C SER A 65 3.545 -7.979 -8.125 1.00 0.00 C ATOM 937 O SER A 65 4.220 -8.949 -8.469 1.00 0.00 O ATOM 938 CB SER A 65 2.484 -7.106 -10.198 1.00 0.00 C ATOM 939 OG SER A 65 3.222 -7.661 -11.277 1.00 0.00 O ATOM 0 H SER A 65 4.929 -6.589 -10.350 1.00 0.00 H new ATOM 0 HA SER A 65 2.907 -5.983 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.708 -7.806 -9.889 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.981 -6.198 -10.529 1.00 0.00 H new ATOM 0 HG SER A 65 2.616 -7.857 -12.022 1.00 0.00 H new ATOM 945 N LEU A 66 2.941 -7.943 -6.925 1.00 0.00 N ATOM 946 CA LEU A 66 3.089 -8.942 -5.913 1.00 0.00 C ATOM 947 C LEU A 66 1.844 -9.749 -5.777 1.00 0.00 C ATOM 948 O LEU A 66 1.242 -9.898 -4.714 1.00 0.00 O ATOM 949 CB LEU A 66 3.678 -8.350 -4.620 1.00 0.00 C ATOM 950 CG LEU A 66 3.081 -7.126 -3.906 1.00 0.00 C ATOM 951 CD1 LEU A 66 3.221 -5.793 -4.661 1.00 0.00 C ATOM 952 CD2 LEU A 66 1.654 -7.302 -3.361 1.00 0.00 C ATOM 0 H LEU A 66 2.321 -7.182 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 66 3.840 -9.673 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.690 -9.158 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.717 -8.103 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 66 3.732 -7.062 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.769 -4.993 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.277 -5.574 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.716 -5.866 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.333 -6.379 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.977 -7.536 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.639 -8.116 -2.636 1.00 0.00 H new ATOM 964 N GLU A 67 1.392 -10.352 -6.891 1.00 0.00 N ATOM 965 CA GLU A 67 0.117 -10.992 -6.982 1.00 0.00 C ATOM 966 C GLU A 67 -0.059 -12.219 -6.154 1.00 0.00 C ATOM 967 O GLU A 67 0.801 -13.094 -6.067 1.00 0.00 O ATOM 968 CB GLU A 67 -0.273 -11.265 -8.445 1.00 0.00 C ATOM 969 CG GLU A 67 0.627 -12.249 -9.197 1.00 0.00 C ATOM 970 CD GLU A 67 0.135 -12.484 -10.617 1.00 0.00 C ATOM 971 OE1 GLU A 67 -1.064 -12.833 -10.781 1.00 0.00 O ATOM 972 OE2 GLU A 67 0.937 -12.341 -11.578 1.00 0.00 O ATOM 0 H GLU A 67 1.931 -10.395 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.568 -10.265 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.294 -11.646 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.276 -10.318 -8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.646 -11.864 -9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.659 -13.197 -8.661 1.00 0.00 H new ATOM 979 N GLY A 68 -1.203 -12.304 -5.452 1.00 0.00 N ATOM 980 CA GLY A 68 -1.579 -13.422 -4.642 1.00 0.00 C ATOM 981 C GLY A 68 -0.949 -13.480 -3.293 1.00 0.00 C ATOM 982 O GLY A 68 -1.165 -14.429 -2.541 1.00 0.00 O ATOM 0 H GLY A 68 -1.899 -11.558 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.662 -13.410 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.330 -14.337 -5.179 1.00 0.00 H new ATOM 986 N ALA A 69 -0.144 -12.470 -2.917 1.00 0.00 N ATOM 987 CA ALA A 69 0.547 -12.425 -1.665 1.00 0.00 C ATOM 988 C ALA A 69 -0.330 -12.084 -0.510 1.00 0.00 C ATOM 989 O ALA A 69 -1.379 -11.457 -0.646 1.00 0.00 O ATOM 990 CB ALA A 69 1.699 -11.411 -1.757 1.00 0.00 C ATOM 0 H ALA A 69 0.032 -11.656 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 69 0.925 -13.430 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.228 -11.374 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.389 -11.715 -2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.298 -10.424 -1.988 1.00 0.00 H new ATOM 996 N THR A 70 0.074 -12.494 0.706 1.00 0.00 N ATOM 997 CA THR A 70 -0.620 -12.214 1.925 1.00 0.00 C ATOM 998 C THR A 70 -0.194 -10.905 2.496 1.00 0.00 C ATOM 999 O THR A 70 0.700 -10.241 1.975 1.00 0.00 O ATOM 1000 CB THR A 70 -0.467 -13.315 2.932 1.00 0.00 C ATOM 1001 OG1 THR A 70 0.889 -13.687 3.128 1.00 0.00 O ATOM 1002 CG2 THR A 70 -1.207 -14.556 2.404 1.00 0.00 C ATOM 0 H THR A 70 0.921 -13.045 0.845 1.00 0.00 H new ATOM 0 HA THR A 70 -1.680 -12.152 1.679 1.00 0.00 H new ATOM 0 HB THR A 70 -0.869 -12.954 3.879 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.938 -14.405 3.793 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.109 -15.371 3.121 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.262 -14.319 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.775 -14.859 1.450 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.830 -10.449 3.590 1.00 0.00 N ATOM 1011 CA HIS A 71 -0.737 -9.108 4.078 1.00 0.00 C ATOM 1012 C HIS A 71 0.642 -8.686 4.450 1.00 0.00 C ATOM 1013 O HIS A 71 1.100 -7.613 4.058 1.00 0.00 O ATOM 1014 CB HIS A 71 -1.688 -8.853 5.259 1.00 0.00 C ATOM 1015 CG HIS A 71 -1.836 -7.422 5.685 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -2.073 -6.395 4.795 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.888 -6.851 6.918 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -2.256 -5.264 5.529 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -2.143 -5.498 6.823 1.00 0.00 N ATOM 0 H HIS A 71 -1.435 -11.041 4.159 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.041 -8.495 3.229 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.674 -9.237 4.996 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.338 -9.432 6.114 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.749 -7.384 7.847 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.468 -4.294 5.105 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.226 -4.826 7.586 1.00 0.00 H new ATOM 1027 N LYS A 72 1.379 -9.528 5.196 1.00 0.00 N ATOM 1028 CA LYS A 72 2.727 -9.234 5.575 1.00 0.00 C ATOM 1029 C LYS A 72 3.689 -9.257 4.438 1.00 0.00 C ATOM 1030 O LYS A 72 4.582 -8.415 4.354 1.00 0.00 O ATOM 1031 CB LYS A 72 3.204 -10.143 6.721 1.00 0.00 C ATOM 1032 CG LYS A 72 4.555 -9.764 7.334 1.00 0.00 C ATOM 1033 CD LYS A 72 4.645 -8.351 7.911 1.00 0.00 C ATOM 1034 CE LYS A 72 3.740 -8.054 9.109 1.00 0.00 C ATOM 1035 NZ LYS A 72 4.141 -8.853 10.288 1.00 0.00 N ATOM 0 H LYS A 72 1.036 -10.424 5.541 1.00 0.00 H new ATOM 0 HA LYS A 72 2.710 -8.205 5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.450 -10.134 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.265 -11.166 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.787 -10.476 8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.324 -9.875 6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.678 -8.166 8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.409 -7.641 7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.788 -6.992 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.704 -8.275 8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.523 -8.621 11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.055 -9.866 10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.127 -8.635 10.536 1.00 0.00 H new ATOM 1049 N GLN A 73 3.520 -10.161 3.457 1.00 0.00 N ATOM 1050 CA GLN A 73 4.418 -10.300 2.352 1.00 0.00 C ATOM 1051 C GLN A 73 4.325 -9.159 1.399 1.00 0.00 C ATOM 1052 O GLN A 73 5.322 -8.703 0.839 1.00 0.00 O ATOM 1053 CB GLN A 73 4.098 -11.631 1.651 1.00 0.00 C ATOM 1054 CG GLN A 73 4.956 -11.979 0.433 1.00 0.00 C ATOM 1055 CD GLN A 73 6.441 -11.983 0.768 1.00 0.00 C ATOM 1056 OE1 GLN A 73 6.872 -12.473 1.810 1.00 0.00 O ATOM 1057 NE2 GLN A 73 7.270 -11.402 -0.140 1.00 0.00 N ATOM 0 H GLN A 73 2.737 -10.814 3.431 1.00 0.00 H new ATOM 0 HA GLN A 73 5.444 -10.297 2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.198 -12.435 2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.054 -11.611 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.667 -12.959 0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.765 -11.259 -0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.888 -11.002 -0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.274 -11.366 0.036 1.00 0.00 H new ATOM 1066 N ALA A 74 3.117 -8.594 1.229 1.00 0.00 N ATOM 1067 CA ALA A 74 2.890 -7.371 0.523 1.00 0.00 C ATOM 1068 C ALA A 74 3.538 -6.189 1.156 1.00 0.00 C ATOM 1069 O ALA A 74 4.304 -5.473 0.512 1.00 0.00 O ATOM 1070 CB ALA A 74 1.373 -7.147 0.399 1.00 0.00 C ATOM 0 H ALA A 74 2.261 -9.007 1.599 1.00 0.00 H new ATOM 0 HA ALA A 74 3.350 -7.470 -0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.185 -6.217 -0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.926 -7.978 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.932 -7.087 1.394 1.00 0.00 H new ATOM 1076 N VAL A 75 3.313 -5.923 2.455 1.00 0.00 N ATOM 1077 CA VAL A 75 3.864 -4.775 3.106 1.00 0.00 C ATOM 1078 C VAL A 75 5.318 -4.875 3.415 1.00 0.00 C ATOM 1079 O VAL A 75 6.001 -3.866 3.589 1.00 0.00 O ATOM 1080 CB VAL A 75 3.093 -4.341 4.316 1.00 0.00 C ATOM 1081 CG1 VAL A 75 1.624 -4.120 3.914 1.00 0.00 C ATOM 1082 CG2 VAL A 75 3.210 -5.361 5.461 1.00 0.00 C ATOM 0 H VAL A 75 2.742 -6.512 3.061 1.00 0.00 H new ATOM 0 HA VAL A 75 3.761 -3.994 2.353 1.00 0.00 H new ATOM 0 HB VAL A 75 3.513 -3.407 4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.052 -3.804 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.569 -3.349 3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.209 -5.050 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.638 -5.011 6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.818 -6.324 5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.257 -5.472 5.743 1.00 0.00 H new ATOM 1092 N GLU A 76 5.893 -6.089 3.460 1.00 0.00 N ATOM 1093 CA GLU A 76 7.302 -6.333 3.486 1.00 0.00 C ATOM 1094 C GLU A 76 7.939 -5.914 2.205 1.00 0.00 C ATOM 1095 O GLU A 76 8.951 -5.217 2.191 1.00 0.00 O ATOM 1096 CB GLU A 76 7.570 -7.810 3.820 1.00 0.00 C ATOM 1097 CG GLU A 76 9.039 -8.189 4.019 1.00 0.00 C ATOM 1098 CD GLU A 76 9.197 -9.472 4.823 1.00 0.00 C ATOM 1099 OE1 GLU A 76 9.203 -10.595 4.254 1.00 0.00 O ATOM 1100 OE2 GLU A 76 9.372 -9.367 6.067 1.00 0.00 O ATOM 0 H GLU A 76 5.344 -6.948 3.479 1.00 0.00 H new ATOM 0 HA GLU A 76 7.758 -5.729 4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.022 -8.063 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.161 -8.425 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.516 -8.310 3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.556 -7.376 4.529 1.00 0.00 H new ATOM 1107 N THR A 77 7.292 -6.224 1.067 1.00 0.00 N ATOM 1108 CA THR A 77 7.676 -5.841 -0.257 1.00 0.00 C ATOM 1109 C THR A 77 7.639 -4.367 -0.471 1.00 0.00 C ATOM 1110 O THR A 77 8.442 -3.811 -1.218 1.00 0.00 O ATOM 1111 CB THR A 77 6.854 -6.553 -1.291 1.00 0.00 C ATOM 1112 OG1 THR A 77 7.078 -7.953 -1.193 1.00 0.00 O ATOM 1113 CG2 THR A 77 7.192 -6.160 -2.739 1.00 0.00 C ATOM 0 H THR A 77 6.439 -6.783 1.074 1.00 0.00 H new ATOM 0 HA THR A 77 8.716 -6.147 -0.372 1.00 0.00 H new ATOM 0 HB THR A 77 5.822 -6.268 -1.086 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.503 -8.328 -0.494 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.555 -6.718 -3.426 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.024 -5.092 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.237 -6.392 -2.944 1.00 0.00 H new ATOM 1121 N LEU A 78 6.748 -3.648 0.235 1.00 0.00 N ATOM 1122 CA LEU A 78 6.686 -2.219 0.214 1.00 0.00 C ATOM 1123 C LEU A 78 7.743 -1.597 1.062 1.00 0.00 C ATOM 1124 O LEU A 78 8.321 -0.580 0.685 1.00 0.00 O ATOM 1125 CB LEU A 78 5.318 -1.708 0.697 1.00 0.00 C ATOM 1126 CG LEU A 78 4.127 -2.085 -0.201 1.00 0.00 C ATOM 1127 CD1 LEU A 78 2.802 -1.697 0.478 1.00 0.00 C ATOM 1128 CD2 LEU A 78 4.209 -1.425 -1.588 1.00 0.00 C ATOM 0 H LEU A 78 6.047 -4.075 0.841 1.00 0.00 H new ATOM 0 HA LEU A 78 6.845 -1.930 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.135 -2.097 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.362 -0.622 0.780 1.00 0.00 H new ATOM 0 HG LEU A 78 4.166 -3.165 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.968 -1.970 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.712 -2.224 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.786 -0.622 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.346 -1.722 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.216 -0.341 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.123 -1.744 -2.089 1.00 0.00 H new ATOM 1140 N ARG A 79 8.086 -2.178 2.226 1.00 0.00 N ATOM 1141 CA ARG A 79 9.167 -1.701 3.031 1.00 0.00 C ATOM 1142 C ARG A 79 10.520 -1.909 2.443 1.00 0.00 C ATOM 1143 O ARG A 79 11.364 -1.019 2.539 1.00 0.00 O ATOM 1144 CB ARG A 79 9.160 -2.267 4.461 1.00 0.00 C ATOM 1145 CG ARG A 79 8.107 -1.624 5.365 1.00 0.00 C ATOM 1146 CD ARG A 79 8.402 -1.901 6.840 1.00 0.00 C ATOM 1147 NE ARG A 79 7.280 -1.373 7.666 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.223 -1.589 9.012 1.00 0.00 C ATOM 1149 NH1 ARG A 79 8.132 -2.378 9.656 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.225 -0.994 9.728 1.00 0.00 N ATOM 0 H ARG A 79 7.606 -2.990 2.614 1.00 0.00 H new ATOM 0 HA ARG A 79 8.979 -0.628 3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.983 -3.342 4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.145 -2.124 4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.083 -0.548 5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.120 -2.010 5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.520 -2.972 7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.340 -1.428 7.132 1.00 0.00 H new ATOM 0 HE ARG A 79 6.538 -0.838 7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.882 -2.826 9.129 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.061 -2.519 10.664 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.542 -0.402 9.256 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.163 -1.141 10.735 1.00 0.00 H new ATOM 1164 N ASN A 80 10.804 -3.034 1.762 1.00 0.00 N ATOM 1165 CA ASN A 80 12.035 -3.204 1.052 1.00 0.00 C ATOM 1166 C ASN A 80 12.063 -2.522 -0.271 1.00 0.00 C ATOM 1167 O ASN A 80 12.358 -3.095 -1.319 1.00 0.00 O ATOM 1168 CB ASN A 80 12.578 -4.644 1.050 1.00 0.00 C ATOM 1169 CG ASN A 80 11.679 -5.758 0.533 1.00 0.00 C ATOM 1170 OD1 ASN A 80 11.381 -6.721 1.238 1.00 0.00 O ATOM 1171 ND2 ASN A 80 11.300 -5.704 -0.772 1.00 0.00 N ATOM 0 H ASN A 80 10.174 -3.834 1.703 1.00 0.00 H new ATOM 0 HA ASN A 80 12.772 -2.663 1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.492 -4.653 0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.860 -4.893 2.073 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.761 -6.469 -1.179 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.555 -4.899 -1.344 1.00 0.00 H new ATOM 1178 N THR A 81 11.803 -1.202 -0.262 1.00 0.00 N ATOM 1179 CA THR A 81 11.958 -0.265 -1.330 1.00 0.00 C ATOM 1180 C THR A 81 13.189 0.530 -1.058 1.00 0.00 C ATOM 1181 O THR A 81 14.244 0.268 -1.634 1.00 0.00 O ATOM 1182 CB THR A 81 10.782 0.650 -1.504 1.00 0.00 C ATOM 1183 OG1 THR A 81 10.268 1.112 -0.263 1.00 0.00 O ATOM 1184 CG2 THR A 81 9.649 -0.110 -2.212 1.00 0.00 C ATOM 0 H THR A 81 11.449 -0.749 0.580 1.00 0.00 H new ATOM 0 HA THR A 81 12.034 -0.824 -2.263 1.00 0.00 H new ATOM 0 HB THR A 81 11.128 1.505 -2.085 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.622 0.463 0.086 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.792 0.551 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.994 -0.451 -3.188 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.356 -0.970 -1.610 1.00 0.00 H new ATOM 1192 N GLY A 82 13.111 1.494 -0.123 1.00 0.00 N ATOM 1193 CA GLY A 82 14.208 2.273 0.361 1.00 0.00 C ATOM 1194 C GLY A 82 14.076 3.722 0.044 1.00 0.00 C ATOM 1195 O GLY A 82 13.223 4.418 0.593 1.00 0.00 O ATOM 0 H GLY A 82 12.228 1.744 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.287 2.148 1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.134 1.895 -0.072 1.00 0.00 H new ATOM 1199 N GLN A 83 14.953 4.253 -0.826 1.00 0.00 N ATOM 1200 CA GLN A 83 15.039 5.657 -1.088 1.00 0.00 C ATOM 1201 C GLN A 83 14.023 6.150 -2.060 1.00 0.00 C ATOM 1202 O GLN A 83 13.560 7.287 -1.976 1.00 0.00 O ATOM 1203 CB GLN A 83 16.464 5.963 -1.579 1.00 0.00 C ATOM 1204 CG GLN A 83 16.794 7.432 -1.845 1.00 0.00 C ATOM 1205 CD GLN A 83 18.276 7.553 -2.171 1.00 0.00 C ATOM 1206 OE1 GLN A 83 18.808 6.862 -3.038 1.00 0.00 O ATOM 1207 NE2 GLN A 83 18.990 8.438 -1.425 1.00 0.00 N ATOM 0 H GLN A 83 15.618 3.694 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 83 14.822 6.188 -0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.169 5.584 -0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.636 5.403 -2.498 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.194 7.809 -2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.549 8.037 -0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.522 8.998 -0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.993 8.541 -1.578 1.00 0.00 H new ATOM 1216 N VAL A 84 13.618 5.306 -3.025 1.00 0.00 N ATOM 1217 CA VAL A 84 12.720 5.656 -4.081 1.00 0.00 C ATOM 1218 C VAL A 84 11.370 5.073 -3.837 1.00 0.00 C ATOM 1219 O VAL A 84 11.228 3.938 -3.385 1.00 0.00 O ATOM 1220 CB VAL A 84 13.283 5.267 -5.415 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.560 3.758 -5.521 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.377 5.744 -6.562 1.00 0.00 C ATOM 0 H VAL A 84 13.931 4.336 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 84 12.601 6.739 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 84 14.245 5.771 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.966 3.531 -6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.279 3.465 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.631 3.206 -5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.812 5.447 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.390 5.294 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.286 6.830 -6.527 1.00 0.00 H new ATOM 1232 N VAL A 85 10.306 5.852 -4.101 1.00 0.00 N ATOM 1233 CA VAL A 85 8.950 5.522 -3.793 1.00 0.00 C ATOM 1234 C VAL A 85 8.147 5.600 -5.047 1.00 0.00 C ATOM 1235 O VAL A 85 7.477 6.588 -5.338 1.00 0.00 O ATOM 1236 CB VAL A 85 8.392 6.430 -2.737 1.00 0.00 C ATOM 1237 CG1 VAL A 85 7.003 5.950 -2.279 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.324 6.453 -1.513 1.00 0.00 C ATOM 0 H VAL A 85 10.398 6.761 -4.554 1.00 0.00 H new ATOM 0 HA VAL A 85 8.906 4.510 -3.391 1.00 0.00 H new ATOM 0 HB VAL A 85 8.309 7.428 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.619 6.624 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.322 5.942 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.083 4.943 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.910 7.115 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.416 5.446 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.308 6.815 -1.812 1.00 0.00 H new ATOM 1248 N HIS A 86 8.211 4.549 -5.884 1.00 0.00 N ATOM 1249 CA HIS A 86 7.627 4.542 -7.190 1.00 0.00 C ATOM 1250 C HIS A 86 6.595 3.472 -7.280 1.00 0.00 C ATOM 1251 O HIS A 86 6.926 2.288 -7.263 1.00 0.00 O ATOM 1252 CB HIS A 86 8.735 4.281 -8.224 1.00 0.00 C ATOM 1253 CG HIS A 86 8.432 4.795 -9.601 1.00 0.00 C ATOM 1254 ND1 HIS A 86 8.964 6.010 -9.982 1.00 0.00 N ATOM 1255 CD2 HIS A 86 7.696 4.256 -10.610 1.00 0.00 C ATOM 1256 CE1 HIS A 86 8.537 6.196 -11.217 1.00 0.00 C ATOM 1257 NE2 HIS A 86 7.770 5.160 -11.650 1.00 0.00 N ATOM 0 H HIS A 86 8.683 3.677 -5.645 1.00 0.00 H new ATOM 0 HA HIS A 86 7.153 5.504 -7.386 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.659 4.741 -7.873 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.916 3.208 -8.282 1.00 0.00 H new ATOM 0 HD2 HIS A 86 7.164 3.316 -10.599 1.00 0.00 H new ATOM 0 HE1 HIS A 86 8.769 7.067 -11.812 1.00 0.00 H new ATOM 0 HE2 HIS A 86 7.333 5.069 -12.567 1.00 0.00 H new ATOM 1265 N LEU A 87 5.294 3.806 -7.352 1.00 0.00 N ATOM 1266 CA LEU A 87 4.281 2.799 -7.285 1.00 0.00 C ATOM 1267 C LEU A 87 3.057 3.143 -8.063 1.00 0.00 C ATOM 1268 O LEU A 87 2.908 4.244 -8.592 1.00 0.00 O ATOM 1269 CB LEU A 87 3.951 2.352 -5.850 1.00 0.00 C ATOM 1270 CG LEU A 87 3.369 3.406 -4.895 1.00 0.00 C ATOM 1271 CD1 LEU A 87 2.463 2.733 -3.850 1.00 0.00 C ATOM 1272 CD2 LEU A 87 4.458 4.215 -4.170 1.00 0.00 C ATOM 0 H LEU A 87 4.947 4.759 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 87 4.722 1.931 -7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.244 1.525 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.864 1.959 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 87 2.792 4.098 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.057 3.490 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.645 2.219 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.044 2.013 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.990 4.944 -3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.082 3.541 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.075 4.734 -4.904 1.00 0.00 H new ATOM 1284 N LEU A 88 2.155 2.157 -8.215 1.00 0.00 N ATOM 1285 CA LEU A 88 1.015 2.196 -9.077 1.00 0.00 C ATOM 1286 C LEU A 88 -0.220 1.965 -8.276 1.00 0.00 C ATOM 1287 O LEU A 88 -0.324 0.942 -7.601 1.00 0.00 O ATOM 1288 CB LEU A 88 1.166 1.079 -10.123 1.00 0.00 C ATOM 1289 CG LEU A 88 0.429 1.318 -11.451 1.00 0.00 C ATOM 1290 CD1 LEU A 88 1.199 2.351 -12.293 1.00 0.00 C ATOM 1291 CD2 LEU A 88 0.280 0.009 -12.243 1.00 0.00 C ATOM 0 H LEU A 88 2.227 1.278 -7.703 1.00 0.00 H new ATOM 0 HA LEU A 88 0.944 3.166 -9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.227 0.943 -10.335 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.805 0.146 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.568 1.697 -11.227 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.674 2.518 -13.233 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.267 3.290 -11.744 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.202 1.978 -12.499 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.245 0.207 -13.178 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.267 -0.399 -12.460 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.288 -0.710 -11.653 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.179 2.907 -8.286 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.273 2.934 -7.366 1.00 0.00 C ATOM 1305 C LEU A 89 -3.588 3.132 -8.040 1.00 0.00 C ATOM 1306 O LEU A 89 -3.668 3.455 -9.224 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.139 4.079 -6.348 1.00 0.00 C ATOM 1308 CG LEU A 89 -0.787 4.200 -5.625 1.00 0.00 C ATOM 1309 CD1 LEU A 89 0.180 5.129 -6.378 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -0.984 4.767 -4.209 1.00 0.00 C ATOM 0 H LEU A 89 -1.194 3.675 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.239 1.962 -6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.335 5.019 -6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.919 3.960 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.362 3.197 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.124 5.189 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.360 4.734 -7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.258 6.124 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.018 4.846 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.441 5.754 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.633 4.103 -3.638 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.686 2.963 -7.282 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.020 3.357 -7.612 1.00 0.00 C ATOM 1324 C GLU A 90 -6.619 4.122 -6.482 1.00 0.00 C ATOM 1325 O GLU A 90 -6.480 3.753 -5.317 1.00 0.00 O ATOM 1326 CB GLU A 90 -6.871 2.114 -7.925 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.274 2.427 -8.449 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.015 1.139 -8.780 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -8.728 0.523 -9.840 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -9.883 0.714 -7.971 1.00 0.00 O ATOM 0 H GLU A 90 -4.635 2.516 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.995 3.997 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.348 1.506 -8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.960 1.512 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.831 2.993 -7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.206 3.054 -9.338 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.302 5.241 -6.779 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.051 6.022 -5.844 1.00 0.00 C ATOM 1339 C LYS A 91 -9.335 5.343 -5.514 1.00 0.00 C ATOM 1340 O LYS A 91 -10.019 4.798 -6.380 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.217 7.454 -6.382 1.00 0.00 C ATOM 1342 CG LYS A 91 -9.247 8.385 -5.738 1.00 0.00 C ATOM 1343 CD LYS A 91 -9.121 8.734 -4.254 1.00 0.00 C ATOM 1344 CE LYS A 91 -8.150 9.845 -3.848 1.00 0.00 C ATOM 1345 NZ LYS A 91 -6.725 9.445 -3.850 1.00 0.00 N ATOM 0 H LYS A 91 -7.333 5.622 -7.725 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.512 6.108 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.246 7.944 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.462 7.379 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.235 9.321 -6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.230 7.938 -5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.112 9.010 -3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.829 7.828 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.279 10.688 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.415 10.195 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.173 10.124 -3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.630 8.496 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.369 9.434 -4.827 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.703 5.294 -4.222 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.796 4.498 -3.757 1.00 0.00 C ATOM 1361 C GLY A 92 -12.162 5.077 -3.892 1.00 0.00 C ATOM 1362 O GLY A 92 -12.582 5.591 -4.928 1.00 0.00 O ATOM 0 H GLY A 92 -9.232 5.818 -3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.776 3.549 -4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.627 4.272 -2.704 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.347 -9.139 10.734 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.112 -8.011 11.582 1.00 0.00 C ATOM 1562 C GLN B 11 -2.704 -6.754 11.043 1.00 0.00 C ATOM 1563 O GLN B 11 -3.869 -6.716 10.651 1.00 0.00 O ATOM 1564 CB GLN B 11 -0.610 -7.845 11.868 1.00 0.00 C ATOM 1565 CG GLN B 11 0.073 -9.071 12.477 1.00 0.00 C ATOM 1566 CD GLN B 11 0.745 -9.987 11.465 1.00 0.00 C ATOM 1567 OE1 GLN B 11 0.733 -9.821 10.246 1.00 0.00 O ATOM 1568 NE2 GLN B 11 1.423 -11.033 12.009 1.00 0.00 N ATOM 0 HA GLN B 11 -2.621 -8.211 12.525 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -0.104 -7.592 10.936 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -0.476 -7.000 12.544 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.820 -8.735 13.196 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -0.668 -9.646 13.032 1.00 0.00 H new ATOM 0 HE21 GLN B 11 1.430 -11.166 13.020 1.00 0.00 H new ATOM 0 HE22 GLN B 11 1.925 -11.685 11.406 1.00 0.00 H new ATOM 1577 N VAL B 12 -1.941 -5.647 11.058 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.273 -4.333 10.604 1.00 0.00 C ATOM 1579 C VAL B 12 -0.941 -3.756 10.267 1.00 0.00 C ATOM 1580 O VAL B 12 0.061 -4.285 10.744 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.033 -3.547 11.631 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -2.202 -3.284 12.899 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -3.597 -2.237 11.057 1.00 0.00 C ATOM 0 H VAL B 12 -0.991 -5.679 11.428 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.953 -4.324 9.752 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.880 -4.168 11.922 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.796 -2.712 13.611 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.913 -4.234 13.348 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.307 -2.719 12.637 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.139 -1.702 11.837 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.778 -1.617 10.693 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.274 -2.463 10.233 1.00 0.00 H new ATOM 1593 N SER B 13 -0.827 -2.722 9.414 1.00 0.00 N ATOM 1594 CA SER B 13 0.440 -2.336 8.876 1.00 0.00 C ATOM 1595 C SER B 13 0.623 -0.859 8.809 1.00 0.00 C ATOM 1596 O SER B 13 -0.346 -0.103 8.756 1.00 0.00 O ATOM 1597 CB SER B 13 0.623 -2.861 7.442 1.00 0.00 C ATOM 1598 OG SER B 13 0.461 -4.270 7.392 1.00 0.00 O ATOM 0 H SER B 13 -1.612 -2.154 9.097 1.00 0.00 H new ATOM 0 HA SER B 13 1.172 -2.768 9.559 1.00 0.00 H new ATOM 0 HB2 SER B 13 -0.101 -2.384 6.781 1.00 0.00 H new ATOM 0 HB3 SER B 13 1.614 -2.592 7.076 1.00 0.00 H new ATOM 0 HG SER B 13 -0.470 -4.485 7.176 1.00 0.00 H new ATOM 1604 N ALA B 14 1.878 -0.376 8.776 1.00 0.00 N ATOM 1605 CA ALA B 14 2.171 1.012 8.589 1.00 0.00 C ATOM 1606 C ALA B 14 3.502 1.183 7.943 1.00 0.00 C ATOM 1607 O ALA B 14 4.411 0.379 8.149 1.00 0.00 O ATOM 1608 CB ALA B 14 2.118 1.774 9.923 1.00 0.00 C ATOM 0 H ALA B 14 2.707 -0.961 8.881 1.00 0.00 H new ATOM 0 HA ALA B 14 1.409 1.431 7.931 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.345 2.826 9.750 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.121 1.684 10.354 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.851 1.353 10.612 1.00 0.00 H new ATOM 1614 N VAL B 15 3.656 2.228 7.112 1.00 0.00 N ATOM 1615 CA VAL B 15 4.850 2.559 6.397 1.00 0.00 C ATOM 1616 C VAL B 15 5.012 4.071 6.453 1.00 0.00 C ATOM 1617 O VAL B 15 3.999 4.797 6.271 1.00 0.00 O ATOM 1618 CB VAL B 15 4.823 2.128 4.960 1.00 0.00 C ATOM 1619 CG1 VAL B 15 6.145 2.490 4.262 1.00 0.00 C ATOM 1620 CG2 VAL B 15 4.608 0.610 4.845 1.00 0.00 C ATOM 1621 OXT VAL B 15 6.139 4.577 6.702 1.00 0.00 O ATOM 0 H VAL B 15 2.897 2.884 6.928 1.00 0.00 H new ATOM 0 HA VAL B 15 5.680 2.030 6.865 1.00 0.00 H new ATOM 0 HB VAL B 15 3.996 2.649 4.479 1.00 0.00 H new ATOM 0 HG11 VAL B 15 6.106 2.170 3.221 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.295 3.569 4.304 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.972 1.989 4.766 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.592 0.323 3.793 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.420 0.088 5.351 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.659 0.341 5.309 1.00 0.00 H new