USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 589 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 58 ASN : amide:sc= -1.83 K(o=-4.8,f=-2.6) USER MOD Set 1.2: A 77 SER OG : rot -89:sc= -3.01! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.26) USER MOD Single : A 30 THR OG1 : rot -159:sc= -2.08 USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 71:sc= 1.1 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.665 K(o=0.66,f=-5.6!) USER MOD Single : A 65 MET CE :methyl -119:sc= -1.88 (180deg=-9.61!) USER MOD Single : A 67 HIS : no HE2:sc= -0.214 X(o=-0.21,f=-0.48) USER MOD Single : A 71 GLN : amide:sc= -0.927 K(o=-0.93,f=-2.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.27) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.32) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.265 13.027 2.362 1.00 0.00 N ATOM 60 CA GLY A 7 -1.676 11.744 2.014 1.00 0.00 C ATOM 61 C GLY A 7 -0.808 11.212 3.155 1.00 0.00 C ATOM 62 O GLY A 7 0.119 11.886 3.602 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.465 11.027 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.073 11.849 1.112 1.00 0.00 H new ATOM 66 N LEU A 8 -1.139 10.007 3.595 1.00 0.00 N ATOM 67 CA LEU A 8 -0.401 9.376 4.676 1.00 0.00 C ATOM 68 C LEU A 8 0.279 8.109 4.153 1.00 0.00 C ATOM 69 O LEU A 8 -0.151 7.538 3.152 1.00 0.00 O ATOM 70 CB LEU A 8 -1.316 9.131 5.878 1.00 0.00 C ATOM 71 CG LEU A 8 -1.224 7.744 6.519 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.655 7.789 7.986 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.024 6.716 5.717 1.00 0.00 C ATOM 0 H LEU A 8 -1.909 9.451 3.222 1.00 0.00 H new ATOM 0 HA LEU A 8 0.388 10.037 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.090 9.877 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.347 9.297 5.565 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.181 7.426 6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.580 6.791 8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.006 8.471 8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.686 8.137 8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.942 5.739 6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.071 7.016 5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.629 6.659 4.703 1.00 0.00 H new ATOM 85 N THR A 9 1.330 7.708 4.852 1.00 0.00 N ATOM 86 CA THR A 9 2.074 6.520 4.471 1.00 0.00 C ATOM 87 C THR A 9 1.851 5.400 5.489 1.00 0.00 C ATOM 88 O THR A 9 1.500 5.663 6.639 1.00 0.00 O ATOM 89 CB THR A 9 3.544 6.913 4.312 1.00 0.00 C ATOM 90 OG1 THR A 9 3.523 7.951 3.337 1.00 0.00 O ATOM 91 CG2 THR A 9 4.379 5.808 3.662 1.00 0.00 C ATOM 0 H THR A 9 1.684 8.185 5.681 1.00 0.00 H new ATOM 0 HA THR A 9 1.724 6.124 3.518 1.00 0.00 H new ATOM 0 HB THR A 9 3.962 7.156 5.289 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.437 8.266 3.175 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.414 6.139 3.573 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.337 4.910 4.278 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.982 5.587 2.671 1.00 0.00 H new ATOM 99 N VAL A 10 2.064 4.176 5.031 1.00 0.00 N ATOM 100 CA VAL A 10 1.890 3.015 5.888 1.00 0.00 C ATOM 101 C VAL A 10 3.183 2.197 5.900 1.00 0.00 C ATOM 102 O VAL A 10 3.892 2.136 4.897 1.00 0.00 O ATOM 103 CB VAL A 10 0.675 2.206 5.433 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.722 1.947 3.926 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.567 0.893 6.212 1.00 0.00 C ATOM 0 H VAL A 10 2.356 3.962 4.077 1.00 0.00 H new ATOM 0 HA VAL A 10 1.691 3.324 6.914 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.218 2.795 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.153 1.370 3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.728 2.898 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.625 1.388 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.305 0.337 5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.465 0.297 6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.465 1.108 7.276 1.00 0.00 H new ATOM 115 N ASP A 11 3.451 1.589 7.046 1.00 0.00 N ATOM 116 CA ASP A 11 4.646 0.778 7.202 1.00 0.00 C ATOM 117 C ASP A 11 4.240 -0.675 7.460 1.00 0.00 C ATOM 118 O ASP A 11 4.075 -1.082 8.609 1.00 0.00 O ATOM 119 CB ASP A 11 5.484 1.253 8.390 1.00 0.00 C ATOM 120 CG ASP A 11 4.682 1.837 9.555 1.00 0.00 C ATOM 121 OD1 ASP A 11 4.237 2.996 9.413 1.00 0.00 O ATOM 122 OD2 ASP A 11 4.532 1.111 10.561 1.00 0.00 O ATOM 0 H ASP A 11 2.860 1.642 7.876 1.00 0.00 H new ATOM 0 HA ASP A 11 5.235 0.866 6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.073 0.413 8.759 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.189 2.007 8.040 1.00 0.00 H new ATOM 127 N VAL A 12 4.092 -1.417 6.373 1.00 0.00 N ATOM 128 CA VAL A 12 3.709 -2.815 6.467 1.00 0.00 C ATOM 129 C VAL A 12 4.839 -3.605 7.131 1.00 0.00 C ATOM 130 O VAL A 12 6.014 -3.289 6.948 1.00 0.00 O ATOM 131 CB VAL A 12 3.339 -3.351 5.083 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.901 -4.815 5.161 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.256 -2.489 4.433 1.00 0.00 C ATOM 0 H VAL A 12 4.231 -1.076 5.422 1.00 0.00 H new ATOM 0 HA VAL A 12 2.823 -2.927 7.092 1.00 0.00 H new ATOM 0 HB VAL A 12 4.229 -3.301 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.644 -5.171 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.716 -5.418 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.031 -4.900 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.011 -2.892 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.364 -2.493 5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.620 -1.467 4.326 1.00 0.00 H new ATOM 143 N ALA A 13 4.444 -4.618 7.889 1.00 0.00 N ATOM 144 CA ALA A 13 5.409 -5.455 8.581 1.00 0.00 C ATOM 145 C ALA A 13 5.416 -6.848 7.948 1.00 0.00 C ATOM 146 O ALA A 13 4.610 -7.703 8.313 1.00 0.00 O ATOM 147 CB ALA A 13 5.073 -5.495 10.074 1.00 0.00 C ATOM 0 H ALA A 13 3.469 -4.878 8.039 1.00 0.00 H new ATOM 0 HA ALA A 13 6.414 -5.043 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.797 -6.123 10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.110 -4.485 10.482 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.073 -5.905 10.211 1.00 0.00 H new ATOM 153 N GLY A 14 6.334 -7.033 7.012 1.00 0.00 N ATOM 154 CA GLY A 14 6.456 -8.308 6.325 1.00 0.00 C ATOM 155 C GLY A 14 6.744 -9.438 7.314 1.00 0.00 C ATOM 156 O GLY A 14 6.486 -9.303 8.509 1.00 0.00 O ATOM 0 H GLY A 14 7.001 -6.322 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.536 -8.522 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.257 -8.253 5.587 1.00 0.00 H new ATOM 160 N PRO A 15 7.289 -10.557 6.766 1.00 0.00 N ATOM 161 CA PRO A 15 7.563 -10.635 5.341 1.00 0.00 C ATOM 162 C PRO A 15 6.272 -10.831 4.544 1.00 0.00 C ATOM 163 O PRO A 15 5.180 -10.579 5.052 1.00 0.00 O ATOM 164 CB PRO A 15 8.536 -11.793 5.190 1.00 0.00 C ATOM 165 CG PRO A 15 8.410 -12.612 6.465 1.00 0.00 C ATOM 166 CD PRO A 15 7.657 -11.774 7.485 1.00 0.00 C ATOM 0 HA PRO A 15 7.994 -9.716 4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.294 -12.395 4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.556 -11.432 5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.879 -13.543 6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.396 -12.881 6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.775 -12.298 7.854 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.280 -11.549 8.351 1.00 0.00 H new ATOM 174 N ALA A 16 6.439 -11.279 3.308 1.00 0.00 N ATOM 175 CA ALA A 16 5.301 -11.512 2.436 1.00 0.00 C ATOM 176 C ALA A 16 4.807 -12.948 2.621 1.00 0.00 C ATOM 177 O ALA A 16 5.513 -13.783 3.184 1.00 0.00 O ATOM 178 CB ALA A 16 5.697 -11.214 0.989 1.00 0.00 C ATOM 0 H ALA A 16 7.346 -11.487 2.890 1.00 0.00 H new ATOM 0 HA ALA A 16 4.478 -10.845 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.843 -11.389 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.012 -10.174 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.519 -11.867 0.695 1.00 0.00 H new ATOM 184 N PRO A 17 3.566 -13.198 2.124 1.00 0.00 N ATOM 185 CA PRO A 17 2.797 -12.153 1.472 1.00 0.00 C ATOM 186 C PRO A 17 2.226 -11.171 2.497 1.00 0.00 C ATOM 187 O PRO A 17 2.251 -11.437 3.698 1.00 0.00 O ATOM 188 CB PRO A 17 1.720 -12.886 0.689 1.00 0.00 C ATOM 189 CG PRO A 17 1.637 -14.277 1.298 1.00 0.00 C ATOM 190 CD PRO A 17 2.865 -14.478 2.170 1.00 0.00 C ATOM 0 HA PRO A 17 3.404 -11.537 0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.763 -12.369 0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.973 -12.938 -0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.728 -14.381 1.890 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.596 -15.035 0.515 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.587 -14.741 3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.491 -15.286 1.792 1.00 0.00 H new ATOM 198 N TRP A 18 1.725 -10.056 1.986 1.00 0.00 N ATOM 199 CA TRP A 18 1.149 -9.033 2.843 1.00 0.00 C ATOM 200 C TRP A 18 -0.245 -9.502 3.267 1.00 0.00 C ATOM 201 O TRP A 18 -0.509 -9.679 4.456 1.00 0.00 O ATOM 202 CB TRP A 18 1.134 -7.674 2.140 1.00 0.00 C ATOM 203 CG TRP A 18 2.405 -7.371 1.345 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.553 -7.318 0.014 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.710 -7.080 1.888 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.852 -7.015 -0.340 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.578 -6.865 0.836 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.143 -7.000 3.223 1.00 0.00 C ATOM 209 CZ2 TRP A 18 5.933 -6.557 1.011 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.500 -6.691 3.380 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.386 -6.473 2.332 1.00 0.00 C ATOM 0 H TRP A 18 1.706 -9.838 0.990 1.00 0.00 H new ATOM 0 HA TRP A 18 1.756 -8.892 3.737 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.278 -7.634 1.466 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.989 -6.892 2.886 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.755 -7.491 -0.693 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.213 -6.919 -1.289 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.482 -7.164 4.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.593 -6.393 0.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.885 -6.617 4.386 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.420 -6.240 2.536 1.00 0.00 H new ATOM 222 N GLY A 19 -1.100 -9.689 2.273 1.00 0.00 N ATOM 223 CA GLY A 19 -2.459 -10.134 2.528 1.00 0.00 C ATOM 224 C GLY A 19 -3.472 -9.057 2.132 1.00 0.00 C ATOM 225 O GLY A 19 -4.546 -8.962 2.724 1.00 0.00 O ATOM 0 H GLY A 19 -0.878 -9.540 1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.657 -11.048 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.574 -10.376 3.585 1.00 0.00 H new ATOM 229 N PHE A 20 -3.093 -8.273 1.134 1.00 0.00 N ATOM 230 CA PHE A 20 -3.954 -7.206 0.652 1.00 0.00 C ATOM 231 C PHE A 20 -3.998 -7.185 -0.878 1.00 0.00 C ATOM 232 O PHE A 20 -3.022 -7.546 -1.535 1.00 0.00 O ATOM 233 CB PHE A 20 -3.358 -5.889 1.151 1.00 0.00 C ATOM 234 CG PHE A 20 -2.114 -5.438 0.383 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.240 -4.897 -0.858 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.882 -5.579 0.942 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.085 -4.478 -1.571 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.273 -5.161 0.229 1.00 0.00 C ATOM 239 CZ PHE A 20 0.147 -4.620 -1.012 1.00 0.00 C ATOM 0 H PHE A 20 -2.201 -8.355 0.646 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.970 -7.356 1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.117 -5.110 1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.103 -5.994 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.218 -4.786 -1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.782 -6.009 1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.185 -4.047 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.251 -5.273 0.673 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.026 -4.303 -1.554 1.00 0.00 H new ATOM 249 N ARG A 21 -5.138 -6.759 -1.400 1.00 0.00 N ATOM 250 CA ARG A 21 -5.321 -6.687 -2.840 1.00 0.00 C ATOM 251 C ARG A 21 -5.396 -5.227 -3.292 1.00 0.00 C ATOM 252 O ARG A 21 -5.383 -4.316 -2.466 1.00 0.00 O ATOM 253 CB ARG A 21 -6.597 -7.413 -3.270 1.00 0.00 C ATOM 254 CG ARG A 21 -6.473 -8.921 -3.042 1.00 0.00 C ATOM 255 CD ARG A 21 -7.786 -9.635 -3.369 1.00 0.00 C ATOM 256 NE ARG A 21 -8.268 -10.378 -2.183 1.00 0.00 N ATOM 257 CZ ARG A 21 -9.110 -11.418 -2.239 1.00 0.00 C ATOM 258 NH1 ARG A 21 -9.568 -11.846 -3.423 1.00 0.00 N ATOM 259 NH2 ARG A 21 -9.493 -12.032 -1.111 1.00 0.00 N ATOM 0 H ARG A 21 -5.945 -6.460 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.465 -7.173 -3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.447 -7.025 -2.709 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.794 -7.216 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.672 -9.322 -3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.198 -9.114 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.536 -8.909 -3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.638 -10.321 -4.203 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.938 -10.079 -1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.275 -11.380 -4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.209 -12.638 -3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.143 -11.707 -0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.134 -12.824 -1.154 1.00 0.00 H new ATOM 273 N ILE A 22 -5.474 -5.051 -4.603 1.00 0.00 N ATOM 274 CA ILE A 22 -5.551 -3.717 -5.175 1.00 0.00 C ATOM 275 C ILE A 22 -6.451 -3.749 -6.412 1.00 0.00 C ATOM 276 O ILE A 22 -6.829 -4.821 -6.882 1.00 0.00 O ATOM 277 CB ILE A 22 -4.149 -3.170 -5.449 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.392 -4.067 -6.431 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.375 -2.967 -4.145 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.314 -3.277 -7.176 1.00 0.00 C ATOM 0 H ILE A 22 -5.486 -5.809 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.006 -3.024 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.250 -2.192 -5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.933 -4.896 -5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.091 -4.500 -7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.382 -2.578 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.909 -2.258 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.282 -3.920 -3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.791 -3.938 -7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.779 -2.463 -7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.603 -2.866 -6.459 1.00 0.00 H new ATOM 292 N SER A 23 -6.769 -2.560 -6.904 1.00 0.00 N ATOM 293 CA SER A 23 -7.618 -2.439 -8.076 1.00 0.00 C ATOM 294 C SER A 23 -7.154 -1.263 -8.939 1.00 0.00 C ATOM 295 O SER A 23 -6.196 -0.574 -8.591 1.00 0.00 O ATOM 296 CB SER A 23 -9.085 -2.259 -7.679 1.00 0.00 C ATOM 297 OG SER A 23 -9.954 -3.069 -8.465 1.00 0.00 O ATOM 0 H SER A 23 -6.454 -1.673 -6.512 1.00 0.00 H new ATOM 0 HA SER A 23 -7.537 -3.360 -8.653 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.209 -2.511 -6.626 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.365 -1.212 -7.792 1.00 0.00 H new ATOM 0 HG SER A 23 -10.881 -2.927 -8.180 1.00 0.00 H new ATOM 303 N GLY A 24 -7.855 -1.070 -10.046 1.00 0.00 N ATOM 304 CA GLY A 24 -7.527 0.010 -10.961 1.00 0.00 C ATOM 305 C GLY A 24 -6.077 -0.098 -11.439 1.00 0.00 C ATOM 306 O GLY A 24 -5.552 -1.199 -11.596 1.00 0.00 O ATOM 0 H GLY A 24 -8.649 -1.643 -10.330 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.199 -0.018 -11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.680 0.969 -10.467 1.00 0.00 H new ATOM 310 N GLY A 25 -5.472 1.060 -11.659 1.00 0.00 N ATOM 311 CA GLY A 25 -4.094 1.110 -12.117 1.00 0.00 C ATOM 312 C GLY A 25 -3.994 1.793 -13.482 1.00 0.00 C ATOM 313 O GLY A 25 -4.993 1.932 -14.186 1.00 0.00 O ATOM 0 H GLY A 25 -5.911 1.971 -11.528 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.485 1.649 -11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.692 0.099 -12.182 1.00 0.00 H new ATOM 317 N ARG A 26 -2.779 2.203 -13.815 1.00 0.00 N ATOM 318 CA ARG A 26 -2.535 2.869 -15.084 1.00 0.00 C ATOM 319 C ARG A 26 -3.225 2.113 -16.221 1.00 0.00 C ATOM 320 O ARG A 26 -3.730 2.725 -17.161 1.00 0.00 O ATOM 321 CB ARG A 26 -1.036 2.962 -15.378 1.00 0.00 C ATOM 322 CG ARG A 26 -0.785 3.592 -16.749 1.00 0.00 C ATOM 323 CD ARG A 26 -0.252 5.019 -16.607 1.00 0.00 C ATOM 324 NE ARG A 26 -1.379 5.975 -16.529 1.00 0.00 N ATOM 325 CZ ARG A 26 -1.239 7.307 -16.575 1.00 0.00 C ATOM 326 NH1 ARG A 26 -0.020 7.848 -16.700 1.00 0.00 N ATOM 327 NH2 ARG A 26 -2.318 8.097 -16.497 1.00 0.00 N ATOM 0 H ARG A 26 -1.953 2.087 -13.228 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.943 3.877 -15.013 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.546 3.555 -14.606 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.593 1.967 -15.344 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.070 2.987 -17.306 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.711 3.601 -17.324 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.365 5.098 -15.712 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.385 5.264 -17.457 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.321 5.596 -16.434 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.801 7.246 -16.760 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.087 8.862 -16.735 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.246 7.685 -16.403 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.211 9.111 -16.532 1.00 0.00 H new ATOM 341 N ASP A 27 -3.223 0.794 -16.099 1.00 0.00 N ATOM 342 CA ASP A 27 -3.843 -0.052 -17.105 1.00 0.00 C ATOM 343 C ASP A 27 -5.324 0.312 -17.229 1.00 0.00 C ATOM 344 O ASP A 27 -5.858 0.384 -18.335 1.00 0.00 O ATOM 345 CB ASP A 27 -3.750 -1.529 -16.717 1.00 0.00 C ATOM 346 CG ASP A 27 -3.554 -2.494 -17.887 1.00 0.00 C ATOM 347 OD1 ASP A 27 -2.378 -2.737 -18.232 1.00 0.00 O ATOM 348 OD2 ASP A 27 -4.586 -2.968 -18.411 1.00 0.00 O ATOM 0 H ASP A 27 -2.802 0.290 -15.319 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.319 0.106 -18.048 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.922 -1.654 -16.020 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.660 -1.807 -16.185 1.00 0.00 H new ATOM 353 N PHE A 28 -5.945 0.530 -16.079 1.00 0.00 N ATOM 354 CA PHE A 28 -7.354 0.884 -16.045 1.00 0.00 C ATOM 355 C PHE A 28 -7.536 2.402 -15.988 1.00 0.00 C ATOM 356 O PHE A 28 -8.663 2.895 -15.949 1.00 0.00 O ATOM 357 CB PHE A 28 -7.941 0.264 -14.776 1.00 0.00 C ATOM 358 CG PHE A 28 -7.923 -1.266 -14.766 1.00 0.00 C ATOM 359 CD1 PHE A 28 -8.942 -1.962 -15.339 1.00 0.00 C ATOM 360 CD2 PHE A 28 -6.889 -1.931 -14.185 1.00 0.00 C ATOM 361 CE1 PHE A 28 -8.926 -3.381 -15.330 1.00 0.00 C ATOM 362 CE2 PHE A 28 -6.873 -3.351 -14.175 1.00 0.00 C ATOM 363 CZ PHE A 28 -7.892 -4.046 -14.748 1.00 0.00 C ATOM 0 H PHE A 28 -5.498 0.468 -15.164 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.851 0.518 -16.943 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.383 0.629 -13.914 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.969 0.606 -14.659 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -9.763 -1.434 -15.801 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.079 -1.379 -13.731 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.735 -3.933 -15.785 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.052 -3.879 -13.713 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.880 -5.126 -14.741 1.00 0.00 H new ATOM 373 N HIS A 29 -6.411 3.102 -15.984 1.00 0.00 N ATOM 374 CA HIS A 29 -6.433 4.554 -15.932 1.00 0.00 C ATOM 375 C HIS A 29 -7.050 5.011 -14.609 1.00 0.00 C ATOM 376 O HIS A 29 -7.494 6.151 -14.489 1.00 0.00 O ATOM 377 CB HIS A 29 -7.152 5.131 -17.153 1.00 0.00 C ATOM 378 CG HIS A 29 -6.571 4.687 -18.475 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.431 5.540 -19.556 1.00 0.00 N ATOM 380 CD2 HIS A 29 -6.095 3.474 -18.877 1.00 0.00 C ATOM 381 CE1 HIS A 29 -5.895 4.860 -20.558 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.688 3.579 -20.136 1.00 0.00 N ATOM 0 H HIS A 29 -5.478 2.690 -16.016 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.414 4.938 -15.969 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.202 4.842 -17.114 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.119 6.219 -17.101 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.056 2.579 -18.273 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.662 5.251 -21.538 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.287 2.826 -20.696 1.00 0.00 H new ATOM 390 N THR A 30 -7.059 4.097 -13.650 1.00 0.00 N ATOM 391 CA THR A 30 -7.615 4.391 -12.341 1.00 0.00 C ATOM 392 C THR A 30 -6.530 4.293 -11.266 1.00 0.00 C ATOM 393 O THR A 30 -5.487 3.679 -11.486 1.00 0.00 O ATOM 394 CB THR A 30 -8.793 3.445 -12.103 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.334 2.189 -12.596 1.00 0.00 O ATOM 396 CG2 THR A 30 -9.997 3.775 -12.988 1.00 0.00 C ATOM 0 H THR A 30 -6.690 3.152 -13.754 1.00 0.00 H new ATOM 0 HA THR A 30 -7.987 5.414 -12.291 1.00 0.00 H new ATOM 0 HB THR A 30 -9.089 3.491 -11.055 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.103 1.615 -12.794 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.805 3.074 -12.779 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.335 4.790 -12.779 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.710 3.696 -14.037 1.00 0.00 H new ATOM 404 N PRO A 31 -6.821 4.923 -10.096 1.00 0.00 N ATOM 405 CA PRO A 31 -5.883 4.912 -8.987 1.00 0.00 C ATOM 406 C PRO A 31 -5.872 3.550 -8.291 1.00 0.00 C ATOM 407 O PRO A 31 -6.916 2.917 -8.142 1.00 0.00 O ATOM 408 CB PRO A 31 -6.337 6.041 -8.076 1.00 0.00 C ATOM 409 CG PRO A 31 -7.775 6.339 -8.467 1.00 0.00 C ATOM 410 CD PRO A 31 -8.046 5.659 -9.800 1.00 0.00 C ATOM 0 HA PRO A 31 -4.852 5.066 -9.307 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.270 5.748 -7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.707 6.922 -8.202 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.462 5.972 -7.704 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.934 7.414 -8.548 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.904 4.990 -9.736 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.268 6.389 -10.579 1.00 0.00 H new ATOM 418 N ILE A 32 -4.680 3.138 -7.883 1.00 0.00 N ATOM 419 CA ILE A 32 -4.520 1.862 -7.207 1.00 0.00 C ATOM 420 C ILE A 32 -5.231 1.916 -5.853 1.00 0.00 C ATOM 421 O ILE A 32 -4.770 2.589 -4.932 1.00 0.00 O ATOM 422 CB ILE A 32 -3.040 1.489 -7.110 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.388 1.471 -8.494 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.856 0.161 -6.373 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.428 0.067 -9.101 1.00 0.00 C ATOM 0 H ILE A 32 -3.816 3.666 -8.008 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.988 1.064 -7.783 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.532 2.255 -6.524 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.904 2.170 -9.152 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.354 1.809 -8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.795 -0.081 -6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.262 0.245 -5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.381 -0.629 -6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.958 0.082 -10.084 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.891 -0.625 -8.453 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.464 -0.258 -9.199 1.00 0.00 H new ATOM 437 N ILE A 33 -6.340 1.197 -5.774 1.00 0.00 N ATOM 438 CA ILE A 33 -7.119 1.153 -4.547 1.00 0.00 C ATOM 439 C ILE A 33 -7.155 -0.283 -4.021 1.00 0.00 C ATOM 440 O ILE A 33 -7.168 -1.233 -4.802 1.00 0.00 O ATOM 441 CB ILE A 33 -8.505 1.761 -4.771 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.407 3.262 -5.052 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.433 1.458 -3.593 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.324 3.665 -6.208 1.00 0.00 C ATOM 0 H ILE A 33 -6.719 0.640 -6.540 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.649 1.763 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.943 1.296 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.678 3.822 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.377 3.524 -5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.412 1.901 -3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.539 0.379 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.011 1.878 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.235 4.737 -6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.035 3.122 -7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.356 3.424 -5.954 1.00 0.00 H new ATOM 456 N VAL A 34 -7.169 -0.396 -2.701 1.00 0.00 N ATOM 457 CA VAL A 34 -7.203 -1.700 -2.062 1.00 0.00 C ATOM 458 C VAL A 34 -8.634 -2.240 -2.090 1.00 0.00 C ATOM 459 O VAL A 34 -9.583 -1.508 -1.811 1.00 0.00 O ATOM 460 CB VAL A 34 -6.627 -1.604 -0.647 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.716 -2.951 0.073 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.187 -1.090 -0.675 1.00 0.00 C ATOM 0 H VAL A 34 -7.157 0.395 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.578 -2.409 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.227 -0.886 -0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.300 -2.856 1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.759 -3.259 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.152 -3.699 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.802 -1.031 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.568 -1.772 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.163 -0.100 -1.130 1.00 0.00 H new ATOM 472 N THR A 35 -8.744 -3.516 -2.429 1.00 0.00 N ATOM 473 CA THR A 35 -10.044 -4.162 -2.497 1.00 0.00 C ATOM 474 C THR A 35 -10.299 -4.982 -1.231 1.00 0.00 C ATOM 475 O THR A 35 -11.347 -4.849 -0.602 1.00 0.00 O ATOM 476 CB THR A 35 -10.091 -4.995 -3.780 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.869 -5.728 -3.763 1.00 0.00 O ATOM 478 CG2 THR A 35 -9.992 -4.134 -5.041 1.00 0.00 C ATOM 0 H THR A 35 -7.955 -4.120 -2.659 1.00 0.00 H new ATOM 0 HA THR A 35 -10.849 -3.428 -2.539 1.00 0.00 H new ATOM 0 HB THR A 35 -11.016 -5.570 -3.805 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.818 -6.297 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.030 -4.774 -5.922 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.824 -3.430 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.051 -3.584 -5.033 1.00 0.00 H new ATOM 486 N LYS A 36 -9.322 -5.812 -0.895 1.00 0.00 N ATOM 487 CA LYS A 36 -9.427 -6.653 0.285 1.00 0.00 C ATOM 488 C LYS A 36 -8.228 -6.395 1.199 1.00 0.00 C ATOM 489 O LYS A 36 -7.189 -5.917 0.746 1.00 0.00 O ATOM 490 CB LYS A 36 -9.590 -8.121 -0.116 1.00 0.00 C ATOM 491 CG LYS A 36 -10.830 -8.734 0.537 1.00 0.00 C ATOM 492 CD LYS A 36 -10.532 -9.175 1.972 1.00 0.00 C ATOM 493 CE LYS A 36 -10.797 -10.671 2.152 1.00 0.00 C ATOM 494 NZ LYS A 36 -11.052 -10.985 3.575 1.00 0.00 N ATOM 0 H LYS A 36 -8.454 -5.920 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.322 -6.400 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.670 -8.199 -1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.704 -8.683 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.642 -8.007 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.168 -9.590 -0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.493 -8.954 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.150 -8.606 2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.654 -10.970 1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.941 -11.243 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.230 -12.004 3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.223 -10.718 4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.883 -10.453 3.904 1.00 0.00 H new ATOM 508 N VAL A 37 -8.412 -6.722 2.470 1.00 0.00 N ATOM 509 CA VAL A 37 -7.358 -6.532 3.451 1.00 0.00 C ATOM 510 C VAL A 37 -7.385 -7.687 4.454 1.00 0.00 C ATOM 511 O VAL A 37 -8.212 -7.703 5.365 1.00 0.00 O ATOM 512 CB VAL A 37 -7.502 -5.161 4.115 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.587 -5.043 5.336 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.229 -4.036 3.114 1.00 0.00 C ATOM 0 H VAL A 37 -9.275 -7.117 2.843 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.381 -6.544 2.968 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.532 -5.062 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.709 -4.059 5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.849 -5.812 6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.550 -5.174 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.338 -3.072 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.215 -4.132 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.940 -4.102 2.290 1.00 0.00 H new ATOM 524 N THR A 38 -6.472 -8.626 4.252 1.00 0.00 N ATOM 525 CA THR A 38 -6.382 -9.782 5.127 1.00 0.00 C ATOM 526 C THR A 38 -6.416 -9.346 6.593 1.00 0.00 C ATOM 527 O THR A 38 -5.789 -8.354 6.964 1.00 0.00 O ATOM 528 CB THR A 38 -5.118 -10.560 4.754 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.442 -11.172 3.508 1.00 0.00 O ATOM 530 CG2 THR A 38 -4.858 -11.740 5.692 1.00 0.00 C ATOM 0 H THR A 38 -5.788 -8.609 3.495 1.00 0.00 H new ATOM 0 HA THR A 38 -7.239 -10.443 4.997 1.00 0.00 H new ATOM 0 HB THR A 38 -4.260 -9.888 4.771 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.484 -10.487 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.950 -12.257 5.383 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.738 -11.375 6.712 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.701 -12.430 5.651 1.00 0.00 H new ATOM 606 N ALA A 43 -0.404 -6.272 6.303 1.00 0.00 N ATOM 607 CA ALA A 43 -1.053 -5.040 5.886 1.00 0.00 C ATOM 608 C ALA A 43 -1.817 -4.445 7.070 1.00 0.00 C ATOM 609 O ALA A 43 -1.434 -3.403 7.600 1.00 0.00 O ATOM 610 CB ALA A 43 -1.962 -5.322 4.688 1.00 0.00 C ATOM 0 HA ALA A 43 -0.313 -4.305 5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.449 -4.398 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.367 -5.715 3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.719 -6.054 4.970 1.00 0.00 H new ATOM 616 N GLU A 44 -2.884 -5.132 7.451 1.00 0.00 N ATOM 617 CA GLU A 44 -3.705 -4.685 8.563 1.00 0.00 C ATOM 618 C GLU A 44 -2.824 -4.313 9.757 1.00 0.00 C ATOM 619 O GLU A 44 -3.016 -3.265 10.372 1.00 0.00 O ATOM 620 CB GLU A 44 -4.732 -5.750 8.950 1.00 0.00 C ATOM 621 CG GLU A 44 -5.746 -5.196 9.953 1.00 0.00 C ATOM 622 CD GLU A 44 -6.265 -6.301 10.875 1.00 0.00 C ATOM 623 OE1 GLU A 44 -7.043 -7.141 10.372 1.00 0.00 O ATOM 624 OE2 GLU A 44 -5.873 -6.281 12.061 1.00 0.00 O ATOM 0 H GLU A 44 -3.199 -5.996 7.009 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.253 -3.796 8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.252 -6.100 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.223 -6.612 9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.282 -4.409 10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.580 -4.742 9.419 1.00 0.00 H new ATOM 631 N ALA A 45 -1.878 -5.193 10.050 1.00 0.00 N ATOM 632 CA ALA A 45 -0.967 -4.970 11.160 1.00 0.00 C ATOM 633 C ALA A 45 -0.528 -3.505 11.169 1.00 0.00 C ATOM 634 O ALA A 45 -0.501 -2.867 12.220 1.00 0.00 O ATOM 635 CB ALA A 45 0.218 -5.933 11.049 1.00 0.00 C ATOM 0 H ALA A 45 -1.723 -6.062 9.538 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.463 -5.171 12.109 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.902 -5.766 11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.144 -6.961 11.077 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.742 -5.759 10.109 1.00 0.00 H new ATOM 641 N ALA A 46 -0.197 -3.012 9.984 1.00 0.00 N ATOM 642 CA ALA A 46 0.239 -1.634 9.842 1.00 0.00 C ATOM 643 C ALA A 46 -0.972 -0.706 9.963 1.00 0.00 C ATOM 644 O ALA A 46 -1.364 -0.332 11.067 1.00 0.00 O ATOM 645 CB ALA A 46 0.972 -1.464 8.510 1.00 0.00 C ATOM 0 H ALA A 46 -0.222 -3.543 9.114 1.00 0.00 H new ATOM 0 HA ALA A 46 0.939 -1.370 10.635 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.299 -0.430 8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.840 -2.123 8.486 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.300 -1.718 7.690 1.00 0.00 H new ATOM 651 N ASP A 47 -1.531 -0.361 8.812 1.00 0.00 N ATOM 652 CA ASP A 47 -2.689 0.515 8.775 1.00 0.00 C ATOM 653 C ASP A 47 -3.254 0.546 7.354 1.00 0.00 C ATOM 654 O ASP A 47 -3.764 1.573 6.907 1.00 0.00 O ATOM 655 CB ASP A 47 -2.309 1.946 9.164 1.00 0.00 C ATOM 656 CG ASP A 47 -2.185 2.195 10.669 1.00 0.00 C ATOM 657 OD1 ASP A 47 -2.998 1.604 11.411 1.00 0.00 O ATOM 658 OD2 ASP A 47 -1.279 2.972 11.042 1.00 0.00 O ATOM 0 H ASP A 47 -1.203 -0.673 7.898 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.425 0.132 9.482 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.360 2.196 8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.057 2.628 8.758 1.00 0.00 H new ATOM 663 N LEU A 48 -3.146 -0.591 6.683 1.00 0.00 N ATOM 664 CA LEU A 48 -3.641 -0.707 5.322 1.00 0.00 C ATOM 665 C LEU A 48 -5.111 -1.128 5.352 1.00 0.00 C ATOM 666 O LEU A 48 -5.472 -2.090 6.028 1.00 0.00 O ATOM 667 CB LEU A 48 -2.749 -1.646 4.506 1.00 0.00 C ATOM 668 CG LEU A 48 -2.985 -1.649 2.995 1.00 0.00 C ATOM 669 CD1 LEU A 48 -2.785 -0.251 2.406 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.104 -2.693 2.305 1.00 0.00 C ATOM 0 H LEU A 48 -2.723 -1.441 7.057 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.596 0.258 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.709 -1.379 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.888 -2.661 4.878 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.022 -1.930 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.959 -0.281 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.488 0.442 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.766 0.083 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.291 -2.675 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.055 -2.466 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.338 -3.683 2.697 1.00 0.00 H new ATOM 682 N ARG A 49 -5.921 -0.386 4.612 1.00 0.00 N ATOM 683 CA ARG A 49 -7.345 -0.669 4.545 1.00 0.00 C ATOM 684 C ARG A 49 -7.816 -0.683 3.090 1.00 0.00 C ATOM 685 O ARG A 49 -7.165 -0.111 2.218 1.00 0.00 O ATOM 686 CB ARG A 49 -8.151 0.371 5.326 1.00 0.00 C ATOM 687 CG ARG A 49 -8.699 -0.222 6.625 1.00 0.00 C ATOM 688 CD ARG A 49 -9.310 0.867 7.510 1.00 0.00 C ATOM 689 NE ARG A 49 -9.579 0.329 8.862 1.00 0.00 N ATOM 690 CZ ARG A 49 -10.161 1.027 9.846 1.00 0.00 C ATOM 691 NH1 ARG A 49 -10.538 2.295 9.636 1.00 0.00 N ATOM 692 NH2 ARG A 49 -10.365 0.457 11.042 1.00 0.00 N ATOM 0 H ARG A 49 -5.618 0.412 4.053 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.509 -1.649 4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.520 1.230 5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.975 0.734 4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.453 -0.975 6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.898 -0.727 7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.631 1.717 7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.235 1.233 7.064 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.304 -0.634 9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.382 2.729 8.726 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.981 2.826 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.077 -0.508 11.203 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.808 0.989 11.791 1.00 0.00 H new ATOM 706 N PRO A 50 -8.974 -1.361 2.867 1.00 0.00 N ATOM 707 CA PRO A 50 -9.540 -1.457 1.532 1.00 0.00 C ATOM 708 C PRO A 50 -10.192 -0.136 1.117 1.00 0.00 C ATOM 709 O PRO A 50 -11.100 0.350 1.790 1.00 0.00 O ATOM 710 CB PRO A 50 -10.527 -2.610 1.605 1.00 0.00 C ATOM 711 CG PRO A 50 -10.820 -2.815 3.083 1.00 0.00 C ATOM 712 CD PRO A 50 -9.772 -2.051 3.876 1.00 0.00 C ATOM 0 HA PRO A 50 -8.786 -1.644 0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.439 -2.379 1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.107 -3.513 1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.820 -2.457 3.327 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.791 -3.875 3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.234 -1.345 4.566 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.158 -2.725 4.473 1.00 0.00 H new ATOM 720 N GLY A 51 -9.704 0.406 0.011 1.00 0.00 N ATOM 721 CA GLY A 51 -10.228 1.661 -0.501 1.00 0.00 C ATOM 722 C GLY A 51 -9.144 2.740 -0.522 1.00 0.00 C ATOM 723 O GLY A 51 -9.254 3.722 -1.256 1.00 0.00 O ATOM 0 H GLY A 51 -8.952 -0.001 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.618 1.513 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.062 1.991 0.118 1.00 0.00 H new ATOM 727 N ASP A 52 -8.121 2.522 0.291 1.00 0.00 N ATOM 728 CA ASP A 52 -7.018 3.464 0.376 1.00 0.00 C ATOM 729 C ASP A 52 -6.369 3.608 -1.003 1.00 0.00 C ATOM 730 O ASP A 52 -5.896 2.627 -1.575 1.00 0.00 O ATOM 731 CB ASP A 52 -5.948 2.974 1.353 1.00 0.00 C ATOM 732 CG ASP A 52 -6.308 3.121 2.833 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.016 4.205 3.383 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.866 2.146 3.381 1.00 0.00 O ATOM 0 H ASP A 52 -8.033 1.706 0.897 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.415 4.417 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.743 1.923 1.147 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.025 3.522 1.163 1.00 0.00 H new ATOM 739 N ILE A 53 -6.367 4.837 -1.496 1.00 0.00 N ATOM 740 CA ILE A 53 -5.784 5.122 -2.796 1.00 0.00 C ATOM 741 C ILE A 53 -4.261 5.186 -2.664 1.00 0.00 C ATOM 742 O ILE A 53 -3.726 6.110 -2.052 1.00 0.00 O ATOM 743 CB ILE A 53 -6.404 6.385 -3.396 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.861 6.145 -3.794 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.567 6.902 -4.568 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.605 7.470 -3.976 1.00 0.00 C ATOM 0 H ILE A 53 -6.760 5.648 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.009 4.320 -3.499 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.404 7.162 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.899 5.572 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.357 5.547 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.029 7.800 -4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.561 7.137 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.514 6.137 -5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.639 7.271 -4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.586 8.029 -3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.121 8.055 -4.758 1.00 0.00 H new ATOM 758 N ILE A 54 -3.606 4.194 -3.248 1.00 0.00 N ATOM 759 CA ILE A 54 -2.155 4.127 -3.203 1.00 0.00 C ATOM 760 C ILE A 54 -1.570 5.222 -4.097 1.00 0.00 C ATOM 761 O ILE A 54 -1.669 5.147 -5.321 1.00 0.00 O ATOM 762 CB ILE A 54 -1.673 2.719 -3.559 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.763 1.786 -2.350 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.262 2.756 -4.151 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.574 0.326 -2.768 1.00 0.00 C ATOM 0 H ILE A 54 -4.053 3.430 -3.755 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.796 4.316 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.334 2.316 -4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.003 2.060 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.731 1.906 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.057 1.743 -4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.263 3.364 -5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.426 3.188 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.643 -0.316 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.350 0.048 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.595 0.204 -3.231 1.00 0.00 H new ATOM 777 N VAL A 55 -0.974 6.213 -3.451 1.00 0.00 N ATOM 778 CA VAL A 55 -0.373 7.322 -4.173 1.00 0.00 C ATOM 779 C VAL A 55 0.965 6.874 -4.765 1.00 0.00 C ATOM 780 O VAL A 55 1.236 7.108 -5.942 1.00 0.00 O ATOM 781 CB VAL A 55 -0.243 8.536 -3.251 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.300 9.840 -4.051 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.315 8.514 -2.160 1.00 0.00 C ATOM 0 H VAL A 55 -0.894 6.271 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.009 7.628 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 55 0.731 8.484 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.205 10.688 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.517 9.860 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.252 9.902 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.200 9.388 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.303 8.530 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.207 7.609 -1.562 1.00 0.00 H new ATOM 793 N ALA A 56 1.766 6.239 -3.923 1.00 0.00 N ATOM 794 CA ALA A 56 3.068 5.756 -4.348 1.00 0.00 C ATOM 795 C ALA A 56 3.292 4.348 -3.795 1.00 0.00 C ATOM 796 O ALA A 56 2.465 3.834 -3.042 1.00 0.00 O ATOM 797 CB ALA A 56 4.150 6.739 -3.894 1.00 0.00 C ATOM 0 H ALA A 56 1.538 6.048 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 56 3.117 5.694 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.127 6.377 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.963 7.717 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.131 6.824 -2.808 1.00 0.00 H new ATOM 803 N ILE A 57 4.413 3.762 -4.189 1.00 0.00 N ATOM 804 CA ILE A 57 4.755 2.423 -3.742 1.00 0.00 C ATOM 805 C ILE A 57 6.231 2.386 -3.339 1.00 0.00 C ATOM 806 O ILE A 57 7.111 2.322 -4.196 1.00 0.00 O ATOM 807 CB ILE A 57 4.383 1.390 -4.808 1.00 0.00 C ATOM 808 CG1 ILE A 57 2.865 1.221 -4.901 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.094 0.060 -4.554 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.487 0.285 -6.050 1.00 0.00 C ATOM 0 H ILE A 57 5.096 4.191 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 57 4.175 2.157 -2.858 1.00 0.00 H new ATOM 0 HB ILE A 57 4.726 1.758 -5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.482 0.823 -3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.396 2.193 -5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.812 -0.656 -5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.173 0.214 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.804 -0.327 -3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.403 0.182 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.851 0.698 -6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.938 -0.694 -5.885 1.00 0.00 H new ATOM 822 N ASN A 58 6.456 2.428 -2.034 1.00 0.00 N ATOM 823 CA ASN A 58 7.810 2.400 -1.507 1.00 0.00 C ATOM 824 C ASN A 58 8.452 3.777 -1.688 1.00 0.00 C ATOM 825 O ASN A 58 9.642 3.949 -1.433 1.00 0.00 O ATOM 826 CB ASN A 58 8.669 1.376 -2.251 1.00 0.00 C ATOM 827 CG ASN A 58 9.533 0.573 -1.276 1.00 0.00 C ATOM 828 OD1 ASN A 58 10.730 0.778 -1.153 1.00 0.00 O ATOM 829 ND2 ASN A 58 8.862 -0.349 -0.591 1.00 0.00 N ATOM 0 H ASN A 58 5.724 2.481 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 58 7.756 2.128 -0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.027 0.700 -2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.307 1.887 -2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.349 -0.936 0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.860 -0.468 -0.743 1.00 0.00 H new ATOM 836 N GLY A 59 7.634 4.722 -2.127 1.00 0.00 N ATOM 837 CA GLY A 59 8.107 6.078 -2.346 1.00 0.00 C ATOM 838 C GLY A 59 8.041 6.450 -3.828 1.00 0.00 C ATOM 839 O GLY A 59 8.320 7.589 -4.199 1.00 0.00 O ATOM 0 H GLY A 59 6.647 4.575 -2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.503 6.776 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.133 6.171 -1.990 1.00 0.00 H new ATOM 843 N GLN A 60 7.670 5.468 -4.636 1.00 0.00 N ATOM 844 CA GLN A 60 7.563 5.677 -6.070 1.00 0.00 C ATOM 845 C GLN A 60 6.102 5.892 -6.468 1.00 0.00 C ATOM 846 O GLN A 60 5.242 5.071 -6.153 1.00 0.00 O ATOM 847 CB GLN A 60 8.175 4.506 -6.842 1.00 0.00 C ATOM 848 CG GLN A 60 7.775 4.554 -8.318 1.00 0.00 C ATOM 849 CD GLN A 60 9.008 4.506 -9.222 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.445 5.502 -9.774 1.00 0.00 O ATOM 851 NE2 GLN A 60 9.543 3.294 -9.343 1.00 0.00 N ATOM 0 H GLN A 60 7.439 4.524 -4.325 1.00 0.00 H new ATOM 0 HA GLN A 60 8.125 6.574 -6.329 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.261 4.536 -6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.846 3.564 -6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.118 3.715 -8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.210 5.465 -8.516 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.127 2.502 -8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.369 3.157 -9.926 1.00 0.00 H new ATOM 860 N SER A 61 5.866 7.000 -7.155 1.00 0.00 N ATOM 861 CA SER A 61 4.523 7.334 -7.599 1.00 0.00 C ATOM 862 C SER A 61 3.799 6.071 -8.070 1.00 0.00 C ATOM 863 O SER A 61 4.416 5.174 -8.643 1.00 0.00 O ATOM 864 CB SER A 61 4.557 8.375 -8.719 1.00 0.00 C ATOM 865 OG SER A 61 5.610 8.128 -9.647 1.00 0.00 O ATOM 0 H SER A 61 6.582 7.678 -7.415 1.00 0.00 H new ATOM 0 HA SER A 61 3.981 7.764 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.602 8.372 -9.245 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.680 9.368 -8.287 1.00 0.00 H new ATOM 0 HG SER A 61 5.596 8.813 -10.347 1.00 0.00 H new ATOM 871 N ALA A 62 2.500 6.040 -7.810 1.00 0.00 N ATOM 872 CA ALA A 62 1.686 4.902 -8.200 1.00 0.00 C ATOM 873 C ALA A 62 0.537 5.383 -9.089 1.00 0.00 C ATOM 874 O ALA A 62 -0.325 4.596 -9.475 1.00 0.00 O ATOM 875 CB ALA A 62 1.190 4.176 -6.948 1.00 0.00 C ATOM 0 H ALA A 62 1.991 6.785 -7.334 1.00 0.00 H new ATOM 0 HA ALA A 62 2.274 4.190 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.579 3.322 -7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.044 3.829 -6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.593 4.859 -6.344 1.00 0.00 H new ATOM 881 N GLU A 63 0.562 6.674 -9.387 1.00 0.00 N ATOM 882 CA GLU A 63 -0.466 7.269 -10.223 1.00 0.00 C ATOM 883 C GLU A 63 -0.491 6.594 -11.596 1.00 0.00 C ATOM 884 O GLU A 63 -1.560 6.349 -12.152 1.00 0.00 O ATOM 885 CB GLU A 63 -0.257 8.779 -10.358 1.00 0.00 C ATOM 886 CG GLU A 63 -1.410 9.551 -9.712 1.00 0.00 C ATOM 887 CD GLU A 63 -2.343 10.133 -10.776 1.00 0.00 C ATOM 888 OE1 GLU A 63 -3.187 9.358 -11.276 1.00 0.00 O ATOM 889 OE2 GLU A 63 -2.192 11.340 -11.064 1.00 0.00 O ATOM 0 H GLU A 63 1.278 7.324 -9.064 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.432 7.110 -9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.684 9.063 -9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.180 9.047 -11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.972 8.889 -9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.012 10.355 -9.093 1.00 0.00 H new ATOM 896 N ASN A 64 0.701 6.312 -12.103 1.00 0.00 N ATOM 897 CA ASN A 64 0.829 5.671 -13.400 1.00 0.00 C ATOM 898 C ASN A 64 1.434 4.277 -13.217 1.00 0.00 C ATOM 899 O ASN A 64 2.509 3.989 -13.741 1.00 0.00 O ATOM 900 CB ASN A 64 1.753 6.470 -14.321 1.00 0.00 C ATOM 901 CG ASN A 64 2.910 7.090 -13.533 1.00 0.00 C ATOM 902 OD1 ASN A 64 3.193 6.723 -12.404 1.00 0.00 O ATOM 903 ND2 ASN A 64 3.560 8.046 -14.190 1.00 0.00 N ATOM 0 H ASN A 64 1.586 6.516 -11.639 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.163 5.613 -13.847 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.147 5.818 -15.101 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.185 7.256 -14.819 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.348 8.521 -13.751 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.270 8.304 -15.133 1.00 0.00 H new ATOM 910 N MET A 65 0.717 3.449 -12.471 1.00 0.00 N ATOM 911 CA MET A 65 1.170 2.093 -12.213 1.00 0.00 C ATOM 912 C MET A 65 0.141 1.070 -12.698 1.00 0.00 C ATOM 913 O MET A 65 -1.012 1.091 -12.269 1.00 0.00 O ATOM 914 CB MET A 65 1.403 1.910 -10.712 1.00 0.00 C ATOM 915 CG MET A 65 2.847 2.250 -10.336 1.00 0.00 C ATOM 916 SD MET A 65 3.168 1.769 -8.647 1.00 0.00 S ATOM 917 CE MET A 65 4.824 2.405 -8.453 1.00 0.00 C ATOM 0 H MET A 65 -0.174 3.691 -12.037 1.00 0.00 H new ATOM 0 HA MET A 65 2.101 1.931 -12.757 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.718 2.548 -10.154 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.182 0.881 -10.429 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.536 1.737 -11.006 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.021 3.319 -10.458 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.505 1.584 -8.231 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.135 2.896 -9.375 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.844 3.124 -7.634 1.00 0.00 H new ATOM 927 N LEU A 66 0.594 0.198 -13.587 1.00 0.00 N ATOM 928 CA LEU A 66 -0.272 -0.831 -14.135 1.00 0.00 C ATOM 929 C LEU A 66 -0.604 -1.849 -13.041 1.00 0.00 C ATOM 930 O LEU A 66 0.185 -2.054 -12.120 1.00 0.00 O ATOM 931 CB LEU A 66 0.358 -1.453 -15.383 1.00 0.00 C ATOM 932 CG LEU A 66 0.868 -0.470 -16.438 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.152 -0.984 -17.091 1.00 0.00 C ATOM 934 CD2 LEU A 66 -0.217 -0.162 -17.471 1.00 0.00 C ATOM 0 H LEU A 66 1.550 0.183 -13.941 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.216 -0.398 -14.465 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.190 -2.083 -15.070 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.379 -2.107 -15.850 1.00 0.00 H new ATOM 0 HG LEU A 66 1.113 0.468 -15.940 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.493 -0.266 -17.837 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.922 -1.110 -16.330 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.957 -1.942 -17.572 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.172 0.539 -18.209 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.517 -1.084 -17.969 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.080 0.278 -16.972 1.00 0.00 H new ATOM 946 N HIS A 67 -1.772 -2.459 -13.179 1.00 0.00 N ATOM 947 CA HIS A 67 -2.217 -3.450 -12.214 1.00 0.00 C ATOM 948 C HIS A 67 -1.130 -4.510 -12.029 1.00 0.00 C ATOM 949 O HIS A 67 -1.083 -5.183 -11.000 1.00 0.00 O ATOM 950 CB HIS A 67 -3.563 -4.047 -12.631 1.00 0.00 C ATOM 951 CG HIS A 67 -4.267 -4.802 -11.529 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.228 -4.222 -10.719 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.141 -6.094 -11.113 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.653 -5.134 -9.857 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.978 -6.293 -10.102 1.00 0.00 N ATOM 0 H HIS A 67 -2.424 -2.286 -13.944 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.380 -2.974 -11.247 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.213 -3.244 -12.980 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.405 -4.719 -13.475 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.553 -3.257 -10.776 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.473 -6.831 -11.534 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.403 -4.985 -9.094 1.00 0.00 H new ATOM 963 N ALA A 68 -0.283 -4.626 -13.040 1.00 0.00 N ATOM 964 CA ALA A 68 0.801 -5.593 -13.001 1.00 0.00 C ATOM 965 C ALA A 68 2.050 -4.929 -12.418 1.00 0.00 C ATOM 966 O ALA A 68 2.911 -5.604 -11.855 1.00 0.00 O ATOM 967 CB ALA A 68 1.039 -6.150 -14.406 1.00 0.00 C ATOM 0 H ALA A 68 -0.325 -4.066 -13.892 1.00 0.00 H new ATOM 0 HA ALA A 68 0.543 -6.433 -12.356 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.852 -6.875 -14.377 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.131 -6.637 -14.763 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.303 -5.335 -15.080 1.00 0.00 H new ATOM 973 N GLU A 69 2.110 -3.615 -12.573 1.00 0.00 N ATOM 974 CA GLU A 69 3.240 -2.853 -12.069 1.00 0.00 C ATOM 975 C GLU A 69 3.191 -2.778 -10.541 1.00 0.00 C ATOM 976 O GLU A 69 4.102 -3.251 -9.864 1.00 0.00 O ATOM 977 CB GLU A 69 3.275 -1.452 -12.685 1.00 0.00 C ATOM 978 CG GLU A 69 3.629 -1.516 -14.172 1.00 0.00 C ATOM 979 CD GLU A 69 5.126 -1.287 -14.390 1.00 0.00 C ATOM 980 OE1 GLU A 69 5.885 -2.259 -14.184 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.477 -0.145 -14.757 1.00 0.00 O ATOM 0 H GLU A 69 1.394 -3.058 -13.040 1.00 0.00 H new ATOM 0 HA GLU A 69 4.157 -3.366 -12.359 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.305 -0.971 -12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.006 -0.838 -12.159 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.344 -2.487 -14.576 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.059 -0.764 -14.718 1.00 0.00 H new ATOM 988 N ALA A 70 2.118 -2.181 -10.044 1.00 0.00 N ATOM 989 CA ALA A 70 1.938 -2.039 -8.609 1.00 0.00 C ATOM 990 C ALA A 70 1.976 -3.422 -7.955 1.00 0.00 C ATOM 991 O ALA A 70 2.428 -3.564 -6.820 1.00 0.00 O ATOM 992 CB ALA A 70 0.630 -1.297 -8.329 1.00 0.00 C ATOM 0 H ALA A 70 1.364 -1.790 -10.609 1.00 0.00 H new ATOM 0 HA ALA A 70 2.746 -1.448 -8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.495 -1.191 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.666 -0.310 -8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.205 -1.861 -8.745 1.00 0.00 H new ATOM 998 N GLN A 71 1.494 -4.407 -8.700 1.00 0.00 N ATOM 999 CA GLN A 71 1.467 -5.773 -8.207 1.00 0.00 C ATOM 1000 C GLN A 71 2.891 -6.316 -8.068 1.00 0.00 C ATOM 1001 O GLN A 71 3.228 -6.933 -7.058 1.00 0.00 O ATOM 1002 CB GLN A 71 0.626 -6.668 -9.119 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.841 -6.669 -8.685 1.00 0.00 C ATOM 1004 CD GLN A 71 -0.997 -7.257 -7.281 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.060 -7.759 -6.682 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.231 -7.167 -6.791 1.00 0.00 N ATOM 0 H GLN A 71 1.119 -4.285 -9.641 1.00 0.00 H new ATOM 0 HA GLN A 71 1.001 -5.774 -7.222 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.704 -6.319 -10.149 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.016 -7.685 -9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.230 -5.651 -8.702 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.433 -7.248 -9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.970 -6.734 -7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.438 -7.531 -5.861 1.00 0.00 H new ATOM 1015 N SER A 72 3.688 -6.066 -9.096 1.00 0.00 N ATOM 1016 CA SER A 72 5.068 -6.522 -9.101 1.00 0.00 C ATOM 1017 C SER A 72 5.872 -5.768 -8.039 1.00 0.00 C ATOM 1018 O SER A 72 6.473 -6.382 -7.159 1.00 0.00 O ATOM 1019 CB SER A 72 5.705 -6.335 -10.480 1.00 0.00 C ATOM 1020 OG SER A 72 7.116 -6.527 -10.447 1.00 0.00 O ATOM 0 H SER A 72 3.405 -5.554 -9.931 1.00 0.00 H new ATOM 0 HA SER A 72 5.077 -7.587 -8.867 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.260 -7.039 -11.183 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.484 -5.333 -10.848 1.00 0.00 H new ATOM 0 HG SER A 72 7.484 -6.400 -11.346 1.00 0.00 H new ATOM 1026 N LYS A 73 5.856 -4.449 -8.157 1.00 0.00 N ATOM 1027 CA LYS A 73 6.576 -3.605 -7.218 1.00 0.00 C ATOM 1028 C LYS A 73 6.331 -4.109 -5.794 1.00 0.00 C ATOM 1029 O LYS A 73 7.275 -4.440 -5.078 1.00 0.00 O ATOM 1030 CB LYS A 73 6.203 -2.136 -7.423 1.00 0.00 C ATOM 1031 CG LYS A 73 7.234 -1.426 -8.304 1.00 0.00 C ATOM 1032 CD LYS A 73 6.599 -0.945 -9.611 1.00 0.00 C ATOM 1033 CE LYS A 73 7.288 0.322 -10.120 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.439 -0.025 -10.984 1.00 0.00 N ATOM 0 H LYS A 73 5.356 -3.944 -8.888 1.00 0.00 H new ATOM 0 HA LYS A 73 7.649 -3.665 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.217 -2.068 -7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.138 -1.635 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.655 -0.577 -7.766 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.059 -2.104 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.670 -1.730 -10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.538 -0.749 -9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.577 0.930 -10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.627 0.923 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.895 0.847 -11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.125 -0.587 -10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.107 -0.579 -11.799 1.00 0.00 H new ATOM 1048 N ILE A 74 5.059 -4.152 -5.427 1.00 0.00 N ATOM 1049 CA ILE A 74 4.677 -4.610 -4.102 1.00 0.00 C ATOM 1050 C ILE A 74 5.378 -5.937 -3.805 1.00 0.00 C ATOM 1051 O ILE A 74 6.082 -6.061 -2.804 1.00 0.00 O ATOM 1052 CB ILE A 74 3.154 -4.676 -3.975 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.572 -3.303 -3.633 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.734 -5.745 -2.965 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.162 -3.147 -4.207 1.00 0.00 C ATOM 0 H ILE A 74 4.279 -3.877 -6.024 1.00 0.00 H new ATOM 0 HA ILE A 74 5.005 -3.899 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 74 2.743 -4.968 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.544 -3.175 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.219 -2.521 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.647 -5.771 -2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.100 -6.718 -3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.156 -5.508 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.771 -2.163 -3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.197 -3.251 -5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.512 -3.916 -3.789 1.00 0.00 H new ATOM 1067 N ARG A 75 5.160 -6.896 -4.692 1.00 0.00 N ATOM 1068 CA ARG A 75 5.761 -8.210 -4.538 1.00 0.00 C ATOM 1069 C ARG A 75 7.281 -8.087 -4.413 1.00 0.00 C ATOM 1070 O ARG A 75 7.895 -8.751 -3.580 1.00 0.00 O ATOM 1071 CB ARG A 75 5.425 -9.113 -5.727 1.00 0.00 C ATOM 1072 CG ARG A 75 4.909 -10.473 -5.254 1.00 0.00 C ATOM 1073 CD ARG A 75 3.999 -11.110 -6.305 1.00 0.00 C ATOM 1074 NE ARG A 75 4.559 -12.409 -6.740 1.00 0.00 N ATOM 1075 CZ ARG A 75 3.888 -13.311 -7.469 1.00 0.00 C ATOM 1076 NH1 ARG A 75 2.628 -13.060 -7.851 1.00 0.00 N ATOM 1077 NH2 ARG A 75 4.477 -14.463 -7.818 1.00 0.00 N ATOM 0 H ARG A 75 4.575 -6.789 -5.521 1.00 0.00 H new ATOM 0 HA ARG A 75 5.353 -8.657 -3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.673 -8.632 -6.352 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.312 -9.252 -6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.751 -11.134 -5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.362 -10.353 -4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.000 -11.255 -5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.897 -10.444 -7.162 1.00 0.00 H new ATOM 0 HE ARG A 75 5.516 -12.632 -6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.180 -12.182 -7.587 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.117 -13.746 -8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.436 -14.653 -7.529 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.966 -15.149 -8.373 1.00 0.00 H new ATOM 1091 N GLN A 76 7.844 -7.231 -5.254 1.00 0.00 N ATOM 1092 CA GLN A 76 9.281 -7.012 -5.248 1.00 0.00 C ATOM 1093 C GLN A 76 9.680 -6.142 -4.055 1.00 0.00 C ATOM 1094 O GLN A 76 10.866 -5.945 -3.796 1.00 0.00 O ATOM 1095 CB GLN A 76 9.745 -6.385 -6.564 1.00 0.00 C ATOM 1096 CG GLN A 76 9.619 -7.379 -7.720 1.00 0.00 C ATOM 1097 CD GLN A 76 10.973 -7.611 -8.394 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.994 -7.786 -7.750 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.924 -7.601 -9.723 1.00 0.00 N ATOM 0 H GLN A 76 7.331 -6.681 -5.944 1.00 0.00 H new ATOM 0 HA GLN A 76 9.776 -7.978 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.150 -5.497 -6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.781 -6.060 -6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.227 -8.326 -7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.904 -7.002 -8.452 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.035 -7.449 -10.199 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.775 -7.746 -10.266 1.00 0.00 H new ATOM 1108 N SER A 77 8.667 -5.646 -3.360 1.00 0.00 N ATOM 1109 CA SER A 77 8.898 -4.802 -2.200 1.00 0.00 C ATOM 1110 C SER A 77 9.217 -5.666 -0.979 1.00 0.00 C ATOM 1111 O SER A 77 8.571 -6.688 -0.752 1.00 0.00 O ATOM 1112 CB SER A 77 7.687 -3.910 -1.918 1.00 0.00 C ATOM 1113 OG SER A 77 8.069 -2.644 -1.387 1.00 0.00 O ATOM 0 H SER A 77 7.685 -5.812 -3.578 1.00 0.00 H new ATOM 0 HA SER A 77 9.750 -4.156 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.124 -3.762 -2.839 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.022 -4.412 -1.215 1.00 0.00 H new ATOM 0 HG SER A 77 8.117 -2.700 -0.410 1.00 0.00 H new ATOM 1119 N ALA A 78 10.213 -5.224 -0.224 1.00 0.00 N ATOM 1120 CA ALA A 78 10.625 -5.945 0.968 1.00 0.00 C ATOM 1121 C ALA A 78 9.925 -5.344 2.189 1.00 0.00 C ATOM 1122 O ALA A 78 8.971 -4.580 2.049 1.00 0.00 O ATOM 1123 CB ALA A 78 12.149 -5.901 1.090 1.00 0.00 C ATOM 0 H ALA A 78 10.746 -4.376 -0.415 1.00 0.00 H new ATOM 0 HA ALA A 78 10.333 -6.993 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.458 -6.442 1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.598 -6.365 0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.479 -4.864 1.161 1.00 0.00 H new ATOM 1129 N SER A 79 10.426 -5.713 3.359 1.00 0.00 N ATOM 1130 CA SER A 79 9.861 -5.220 4.604 1.00 0.00 C ATOM 1131 C SER A 79 10.897 -4.379 5.352 1.00 0.00 C ATOM 1132 O SER A 79 12.075 -4.731 5.394 1.00 0.00 O ATOM 1133 CB SER A 79 9.378 -6.374 5.485 1.00 0.00 C ATOM 1134 OG SER A 79 10.450 -7.223 5.887 1.00 0.00 O ATOM 0 H SER A 79 11.217 -6.347 3.471 1.00 0.00 H new ATOM 0 HA SER A 79 9.000 -4.596 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.882 -5.973 6.369 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.636 -6.959 4.942 1.00 0.00 H new ATOM 0 HG SER A 79 10.101 -7.946 6.449 1.00 0.00 H new ATOM 1140 N PRO A 80 10.408 -3.254 5.940 1.00 0.00 N ATOM 1141 CA PRO A 80 9.000 -2.910 5.842 1.00 0.00 C ATOM 1142 C PRO A 80 8.662 -2.371 4.450 1.00 0.00 C ATOM 1143 O PRO A 80 9.552 -1.961 3.707 1.00 0.00 O ATOM 1144 CB PRO A 80 8.766 -1.892 6.946 1.00 0.00 C ATOM 1145 CG PRO A 80 10.139 -1.357 7.318 1.00 0.00 C ATOM 1146 CD PRO A 80 11.180 -2.283 6.710 1.00 0.00 C ATOM 0 HA PRO A 80 8.347 -3.773 5.969 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.113 -1.089 6.604 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.280 -2.353 7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.267 -0.341 6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.252 -1.315 8.401 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.874 -1.735 6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.774 -2.772 7.482 1.00 0.00 H new ATOM 1154 N LEU A 81 7.374 -2.390 4.140 1.00 0.00 N ATOM 1155 CA LEU A 81 6.908 -1.909 2.851 1.00 0.00 C ATOM 1156 C LEU A 81 6.202 -0.565 3.038 1.00 0.00 C ATOM 1157 O LEU A 81 5.166 -0.490 3.698 1.00 0.00 O ATOM 1158 CB LEU A 81 6.042 -2.968 2.165 1.00 0.00 C ATOM 1159 CG LEU A 81 4.947 -2.440 1.236 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.550 -1.844 -0.038 1.00 0.00 C ATOM 1161 CD2 LEU A 81 3.917 -3.528 0.928 1.00 0.00 C ATOM 0 H LEU A 81 6.639 -2.731 4.759 1.00 0.00 H new ATOM 0 HA LEU A 81 7.751 -1.737 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.694 -3.625 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.573 -3.580 2.935 1.00 0.00 H new ATOM 0 HG LEU A 81 4.421 -1.636 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.751 -1.476 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.213 -1.020 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.116 -2.611 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.150 -3.126 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.411 -4.370 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.455 -3.865 1.856 1.00 0.00 H new ATOM 1173 N ARG A 82 6.791 0.464 2.447 1.00 0.00 N ATOM 1174 CA ARG A 82 6.231 1.802 2.540 1.00 0.00 C ATOM 1175 C ARG A 82 5.238 2.043 1.402 1.00 0.00 C ATOM 1176 O ARG A 82 5.570 1.853 0.233 1.00 0.00 O ATOM 1177 CB ARG A 82 7.331 2.864 2.481 1.00 0.00 C ATOM 1178 CG ARG A 82 7.318 3.738 3.737 1.00 0.00 C ATOM 1179 CD ARG A 82 8.408 4.809 3.672 1.00 0.00 C ATOM 1180 NE ARG A 82 9.716 4.223 4.043 1.00 0.00 N ATOM 1181 CZ ARG A 82 10.894 4.833 3.851 1.00 0.00 C ATOM 1182 NH1 ARG A 82 10.935 6.049 3.291 1.00 0.00 N ATOM 1183 NH2 ARG A 82 12.030 4.225 4.220 1.00 0.00 N ATOM 0 H ARG A 82 7.651 0.398 1.902 1.00 0.00 H new ATOM 0 HA ARG A 82 5.716 1.880 3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.303 2.381 2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.192 3.488 1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.343 4.213 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.467 3.115 4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.459 5.227 2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.164 5.630 4.346 1.00 0.00 H new ATOM 0 HE ARG A 82 9.721 3.297 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.070 6.511 3.011 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.831 6.513 3.145 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.998 3.299 4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.927 4.688 4.074 1.00 0.00 H new ATOM 1197 N LEU A 83 4.038 2.456 1.784 1.00 0.00 N ATOM 1198 CA LEU A 83 2.994 2.724 0.810 1.00 0.00 C ATOM 1199 C LEU A 83 2.281 4.027 1.179 1.00 0.00 C ATOM 1200 O LEU A 83 1.724 4.147 2.269 1.00 0.00 O ATOM 1201 CB LEU A 83 2.055 1.523 0.687 1.00 0.00 C ATOM 1202 CG LEU A 83 2.633 0.288 -0.007 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.737 -0.933 0.211 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.880 0.559 -1.492 1.00 0.00 C ATOM 0 H LEU A 83 3.766 2.611 2.755 1.00 0.00 H new ATOM 0 HA LEU A 83 3.425 2.865 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.732 1.235 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.164 1.838 0.143 1.00 0.00 H new ATOM 0 HG LEU A 83 3.599 0.063 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.171 -1.797 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.655 -1.138 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.746 -0.735 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.291 -0.335 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.939 0.823 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.586 1.382 -1.599 1.00 0.00 H new ATOM 1216 N GLN A 84 2.322 4.970 0.249 1.00 0.00 N ATOM 1217 CA GLN A 84 1.686 6.259 0.463 1.00 0.00 C ATOM 1218 C GLN A 84 0.218 6.205 0.036 1.00 0.00 C ATOM 1219 O GLN A 84 -0.083 6.038 -1.145 1.00 0.00 O ATOM 1220 CB GLN A 84 2.433 7.368 -0.281 1.00 0.00 C ATOM 1221 CG GLN A 84 2.020 8.749 0.235 1.00 0.00 C ATOM 1222 CD GLN A 84 2.198 9.814 -0.848 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.100 9.759 -1.668 1.00 0.00 O ATOM 1224 NE2 GLN A 84 1.291 10.786 -0.806 1.00 0.00 N ATOM 0 H GLN A 84 2.785 4.867 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 84 1.725 6.489 1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.508 7.235 -0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.226 7.298 -1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.979 8.724 0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.619 9.009 1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.561 10.772 -0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.325 11.545 -1.487 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.657 6.350 1.020 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.086 6.319 0.761 1.00 0.00 C ATOM 1235 C LEU A 85 -2.622 7.751 0.712 1.00 0.00 C ATOM 1236 O LEU A 85 -2.198 8.604 1.491 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.798 5.432 1.785 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.114 4.102 2.110 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.803 3.404 3.283 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.040 3.206 0.872 1.00 0.00 C ATOM 0 H LEU A 85 -0.404 6.489 1.998 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.286 5.869 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.909 5.997 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.802 5.221 1.418 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.089 4.311 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.297 2.462 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.759 4.044 4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.845 3.208 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.550 2.268 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.048 3.001 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.470 3.710 0.092 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.546 7.972 -0.212 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.144 9.287 -0.374 1.00 0.00 C ATOM 1254 C ASP A 86 -5.471 9.335 0.385 1.00 0.00 C ATOM 1255 O ASP A 86 -6.484 8.830 -0.096 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.431 9.584 -1.847 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.955 10.954 -2.334 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -2.895 11.396 -1.840 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -4.661 11.528 -3.191 1.00 0.00 O ATOM 0 H ASP A 86 -3.895 7.263 -0.856 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.443 10.027 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.958 8.814 -2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.505 9.508 -2.015 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.423 9.947 1.560 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.609 10.067 2.390 1.00 0.00 C ATOM 1266 C ARG A 87 -7.093 11.519 2.417 1.00 0.00 C ATOM 1267 O ARG A 87 -6.486 12.367 3.069 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.329 9.604 3.821 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.608 9.102 4.495 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.330 7.857 5.340 1.00 0.00 C ATOM 1271 NE ARG A 87 -7.827 6.651 4.641 1.00 0.00 N ATOM 1272 CZ ARG A 87 -7.979 5.454 5.224 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -7.674 5.296 6.519 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -8.437 4.415 4.513 1.00 0.00 N ATOM 0 H ARG A 87 -4.581 10.365 1.956 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.381 9.430 1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.583 8.809 3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.909 10.428 4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.024 9.888 5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.357 8.872 3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.260 7.765 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.815 7.951 6.311 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.069 6.736 3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.326 6.087 7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.790 4.385 6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.670 4.535 3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.552 3.504 4.957 1.00 0.00 H new ATOM 1288 N SER A 88 -8.180 11.760 1.699 1.00 0.00 N ATOM 1289 CA SER A 88 -8.752 13.094 1.633 1.00 0.00 C ATOM 1290 C SER A 88 -10.208 13.063 2.103 1.00 0.00 C ATOM 1291 O SER A 88 -11.120 12.882 1.298 1.00 0.00 O ATOM 1292 CB SER A 88 -8.665 13.660 0.214 1.00 0.00 C ATOM 1293 OG SER A 88 -8.753 15.082 0.201 1.00 0.00 O ATOM 0 H SER A 88 -8.680 11.054 1.158 1.00 0.00 H new ATOM 0 HA SER A 88 -8.178 13.746 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.725 13.351 -0.243 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.468 13.241 -0.393 1.00 0.00 H new ATOM 0 HG SER A 88 -8.692 15.405 -0.722 1.00 0.00 H new