USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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 92 ASN : amide:sc= -1.26 K(o=-1.7,f=0.7) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.398 K(o=-1.7,f=0.16) USER MOD Single : A 30 SER OG : rot 140:sc= 0.887 USER MOD Single : A 31 ASN : amide:sc= -0.037 X(o=-0.037,f=-0.018) USER MOD Single : A 32 THR OG1 : rot -77:sc= 0.0261 USER MOD Single : A 44 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 46 SER OG : rot 66:sc= 1.26 USER MOD Single : A 49 ASN : amide:sc= 1.47 K(o=1.5,f=-0.025) USER MOD Single : A 58 MET CE :methyl 145:sc= -1.88 (180deg=-4.04!) USER MOD Single : A 59 LYS NZ :NH3+ -125:sc= 2.11 (180deg=-0.217) USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.12) USER MOD Single : A 65 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.48) USER MOD Single : A 77 SER OG : rot -95:sc= 1.72 USER MOD Single : A 80 LYS NZ :NH3+ 176:sc= 1.7 (180deg=1.68) USER MOD Single : A 86 HIS : no HE2:sc= 0.554 K(o=0.55,f=-3.8!) USER MOD Single : A 88 LYS NZ :NH3+ 163:sc= 0.753 (180deg=0.575) USER MOD Single : A 89 SER OG : rot 45:sc= 0.122 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -58:sc= -0.607 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 5.960 10.423 5.764 1.00 0.00 N ATOM 36 CA SER A 30 5.787 10.435 4.299 1.00 0.00 C ATOM 37 C SER A 30 4.416 11.003 3.912 1.00 0.00 C ATOM 38 O SER A 30 4.291 11.692 2.898 1.00 0.00 O ATOM 39 CB SER A 30 5.883 9.048 3.641 1.00 0.00 C ATOM 40 OG SER A 30 7.223 8.614 3.569 1.00 0.00 O ATOM 0 HA SER A 30 6.608 11.055 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.295 8.329 4.212 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.455 9.086 2.639 1.00 0.00 H new ATOM 0 HG SER A 30 7.269 7.657 3.776 1.00 0.00 H new ATOM 46 N ASN A 31 3.384 10.717 4.724 1.00 0.00 N ATOM 47 CA ASN A 31 1.953 10.983 4.482 1.00 0.00 C ATOM 48 C ASN A 31 1.354 10.265 3.249 1.00 0.00 C ATOM 49 O ASN A 31 0.204 10.534 2.916 1.00 0.00 O ATOM 50 CB ASN A 31 1.631 12.492 4.426 1.00 0.00 C ATOM 51 CG ASN A 31 2.496 13.368 5.305 1.00 0.00 C ATOM 52 OD1 ASN A 31 2.280 13.506 6.501 1.00 0.00 O ATOM 53 ND2 ASN A 31 3.505 13.970 4.725 1.00 0.00 N ATOM 0 H ASN A 31 3.535 10.265 5.626 1.00 0.00 H new ATOM 0 HA ASN A 31 1.465 10.549 5.355 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.729 12.830 3.394 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.589 12.636 4.711 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.126 14.566 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.669 13.843 3.726 1.00 0.00 H new ATOM 60 N THR A 32 2.096 9.375 2.570 1.00 0.00 N ATOM 61 CA THR A 32 1.721 8.901 1.223 1.00 0.00 C ATOM 62 C THR A 32 2.109 7.456 0.840 1.00 0.00 C ATOM 63 O THR A 32 2.194 7.200 -0.358 1.00 0.00 O ATOM 64 CB THR A 32 2.310 9.872 0.167 1.00 0.00 C ATOM 65 OG1 THR A 32 3.720 9.860 0.233 1.00 0.00 O ATOM 66 CG2 THR A 32 1.855 11.330 0.289 1.00 0.00 C ATOM 0 H THR A 32 2.959 8.968 2.930 1.00 0.00 H new ATOM 0 HA THR A 32 0.631 8.887 1.243 1.00 0.00 H new ATOM 0 HB THR A 32 1.931 9.499 -0.784 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.016 10.387 1.005 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.324 11.924 -0.495 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.771 11.383 0.186 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.146 11.722 1.264 1.00 0.00 H new ATOM 74 N ARG A 33 2.352 6.487 1.751 1.00 0.00 N ATOM 75 CA ARG A 33 2.925 5.172 1.341 1.00 0.00 C ATOM 76 C ARG A 33 2.292 3.927 1.978 1.00 0.00 C ATOM 77 O ARG A 33 2.295 3.682 3.187 1.00 0.00 O ATOM 78 CB ARG A 33 4.440 5.089 1.538 1.00 0.00 C ATOM 79 CG ARG A 33 5.380 5.688 0.496 1.00 0.00 C ATOM 80 CD ARG A 33 6.004 7.031 0.876 1.00 0.00 C ATOM 81 NE ARG A 33 6.964 7.451 -0.153 1.00 0.00 N ATOM 82 CZ ARG A 33 7.868 8.409 -0.131 1.00 0.00 C ATOM 83 NH1 ARG A 33 8.192 9.053 0.946 1.00 0.00 N ATOM 84 NH2 ARG A 33 8.473 8.731 -1.234 1.00 0.00 N ATOM 0 H ARG A 33 2.169 6.579 2.750 1.00 0.00 H new ATOM 0 HA ARG A 33 2.674 5.151 0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.669 5.564 2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.696 4.034 1.637 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.182 4.976 0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.830 5.812 -0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.224 7.785 0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.506 6.948 1.840 1.00 0.00 H new ATOM 0 HE ARG A 33 6.925 6.917 -1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.740 8.826 1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.899 9.787 0.908 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.246 8.244 -2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.175 9.471 -1.233 1.00 0.00 H new ATOM 98 N LEU A 34 1.838 3.032 1.122 1.00 0.00 N ATOM 99 CA LEU A 34 0.991 1.929 1.513 1.00 0.00 C ATOM 100 C LEU A 34 1.743 0.606 1.564 1.00 0.00 C ATOM 101 O LEU A 34 2.079 0.047 0.518 1.00 0.00 O ATOM 102 CB LEU A 34 -0.237 1.871 0.627 1.00 0.00 C ATOM 103 CG LEU A 34 -0.985 3.182 0.284 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.070 4.222 1.403 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.405 3.816 -0.973 1.00 0.00 C ATOM 0 H LEU A 34 2.051 3.053 0.125 1.00 0.00 H new ATOM 0 HA LEU A 34 0.656 2.108 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.059 1.407 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.953 1.200 1.102 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.015 2.865 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.615 5.096 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.591 3.793 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.064 4.518 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.944 4.736 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.649 4.042 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.505 3.124 -1.809 1.00 0.00 H new ATOM 117 N PHE A 35 1.992 0.120 2.773 1.00 0.00 N ATOM 118 CA PHE A 35 2.875 -1.007 3.039 1.00 0.00 C ATOM 119 C PHE A 35 2.081 -2.277 3.314 1.00 0.00 C ATOM 120 O PHE A 35 1.558 -2.547 4.389 1.00 0.00 O ATOM 121 CB PHE A 35 3.910 -0.589 4.084 1.00 0.00 C ATOM 122 CG PHE A 35 4.822 -1.651 4.692 1.00 0.00 C ATOM 123 CD1 PHE A 35 5.124 -2.861 4.017 1.00 0.00 C ATOM 124 CD2 PHE A 35 5.466 -1.370 5.911 1.00 0.00 C ATOM 125 CE1 PHE A 35 6.078 -3.749 4.552 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.419 -2.259 6.438 1.00 0.00 C ATOM 127 CZ PHE A 35 6.738 -3.442 5.750 1.00 0.00 C ATOM 0 H PHE A 35 1.574 0.510 3.618 1.00 0.00 H new ATOM 0 HA PHE A 35 3.457 -1.282 2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.547 0.170 3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.375 -0.108 4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.622 -3.102 3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.226 -0.463 6.447 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.302 -4.671 4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.907 -2.032 7.374 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.489 -4.112 6.143 1.00 0.00 H new ATOM 137 N VAL A 36 1.942 -3.071 2.272 1.00 0.00 N ATOM 138 CA VAL A 36 1.052 -4.220 2.253 1.00 0.00 C ATOM 139 C VAL A 36 1.840 -5.437 1.799 1.00 0.00 C ATOM 140 O VAL A 36 2.580 -5.425 0.813 1.00 0.00 O ATOM 141 CB VAL A 36 -0.236 -3.912 1.501 1.00 0.00 C ATOM 142 CG1 VAL A 36 -1.018 -2.837 2.255 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.011 -3.314 0.139 1.00 0.00 C ATOM 0 H VAL A 36 2.452 -2.936 1.399 1.00 0.00 H new ATOM 0 HA VAL A 36 0.687 -4.465 3.250 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.751 -4.869 1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.941 -2.615 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.258 -3.196 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.414 -1.932 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.972 -3.121 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.539 -2.378 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.564 -4.009 -0.473 1.00 0.00 H new ATOM 153 N ARG A 37 1.742 -6.474 2.624 1.00 0.00 N ATOM 154 CA ARG A 37 2.616 -7.653 2.597 1.00 0.00 C ATOM 155 C ARG A 37 1.997 -9.018 2.994 1.00 0.00 C ATOM 156 O ARG A 37 2.762 -9.915 3.364 1.00 0.00 O ATOM 157 CB ARG A 37 3.832 -7.285 3.477 1.00 0.00 C ATOM 158 CG ARG A 37 3.478 -6.771 4.887 1.00 0.00 C ATOM 159 CD ARG A 37 4.557 -7.145 5.909 1.00 0.00 C ATOM 160 NE ARG A 37 4.180 -6.750 7.291 1.00 0.00 N ATOM 161 CZ ARG A 37 3.964 -5.539 7.783 1.00 0.00 C ATOM 162 NH1 ARG A 37 4.132 -4.438 7.124 1.00 0.00 N ATOM 163 NH2 ARG A 37 3.554 -5.364 9.004 1.00 0.00 N ATOM 0 H ARG A 37 1.032 -6.524 3.354 1.00 0.00 H new ATOM 0 HA ARG A 37 2.872 -7.851 1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.470 -8.163 3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.417 -6.522 2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.360 -5.688 4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.521 -7.189 5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.731 -8.221 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.496 -6.662 5.638 1.00 0.00 H new ATOM 0 HE ARG A 37 4.073 -7.518 7.953 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.452 -4.467 6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.944 -3.541 7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.391 -6.170 9.608 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.395 -4.421 9.358 1.00 0.00 H new ATOM 177 N PRO A 38 0.665 -9.249 2.959 1.00 0.00 N ATOM 178 CA PRO A 38 0.095 -10.546 3.348 1.00 0.00 C ATOM 179 C PRO A 38 0.280 -11.657 2.303 1.00 0.00 C ATOM 180 O PRO A 38 0.175 -12.839 2.634 1.00 0.00 O ATOM 181 CB PRO A 38 -1.399 -10.267 3.499 1.00 0.00 C ATOM 182 CG PRO A 38 -1.661 -9.237 2.421 1.00 0.00 C ATOM 183 CD PRO A 38 -0.419 -8.351 2.568 1.00 0.00 C ATOM 0 HA PRO A 38 0.594 -10.910 4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.995 -11.167 3.351 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.640 -9.884 4.491 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.735 -9.685 1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.586 -8.685 2.591 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.188 -7.843 1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.577 -7.578 3.320 1.00 0.00 H new ATOM 191 N PHE A 39 0.502 -11.273 1.047 1.00 0.00 N ATOM 192 CA PHE A 39 0.462 -12.136 -0.127 1.00 0.00 C ATOM 193 C PHE A 39 1.813 -12.808 -0.446 1.00 0.00 C ATOM 194 O PHE A 39 2.870 -12.305 -0.056 1.00 0.00 O ATOM 195 CB PHE A 39 -0.020 -11.323 -1.349 1.00 0.00 C ATOM 196 CG PHE A 39 -0.329 -9.845 -1.152 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.727 -8.933 -0.980 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.657 -9.374 -1.156 1.00 0.00 C ATOM 199 CE1 PHE A 39 0.465 -7.557 -0.863 1.00 0.00 C ATOM 200 CE2 PHE A 39 -1.921 -8.002 -0.991 1.00 0.00 C ATOM 201 CZ PHE A 39 -0.860 -7.089 -0.866 1.00 0.00 C ATOM 0 H PHE A 39 0.725 -10.306 0.812 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.236 -12.942 0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.742 -11.404 -2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.919 -11.803 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.745 -9.292 -0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.474 -10.068 -1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.283 -6.858 -0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.941 -7.650 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.062 -6.032 -0.773 1.00 0.00 H new ATOM 211 N PRO A 40 1.799 -13.921 -1.207 1.00 0.00 N ATOM 212 CA PRO A 40 3.002 -14.495 -1.805 1.00 0.00 C ATOM 213 C PRO A 40 3.482 -13.630 -2.989 1.00 0.00 C ATOM 214 O PRO A 40 2.875 -12.609 -3.325 1.00 0.00 O ATOM 215 CB PRO A 40 2.581 -15.905 -2.244 1.00 0.00 C ATOM 216 CG PRO A 40 1.101 -15.736 -2.588 1.00 0.00 C ATOM 217 CD PRO A 40 0.623 -14.703 -1.565 1.00 0.00 C ATOM 0 HA PRO A 40 3.845 -14.533 -1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.157 -16.248 -3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.729 -16.635 -1.449 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.962 -15.385 -3.611 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.556 -16.676 -2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.155 -14.067 -1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.196 -15.190 -0.688 1.00 0.00 H new ATOM 225 N LEU A 41 4.561 -14.051 -3.662 1.00 0.00 N ATOM 226 CA LEU A 41 5.163 -13.360 -4.817 1.00 0.00 C ATOM 227 C LEU A 41 4.175 -13.097 -5.983 1.00 0.00 C ATOM 228 O LEU A 41 4.444 -12.268 -6.850 1.00 0.00 O ATOM 229 CB LEU A 41 6.369 -14.171 -5.337 1.00 0.00 C ATOM 230 CG LEU A 41 7.650 -14.124 -4.482 1.00 0.00 C ATOM 231 CD1 LEU A 41 7.540 -14.878 -3.153 1.00 0.00 C ATOM 232 CD2 LEU A 41 8.809 -14.747 -5.261 1.00 0.00 C ATOM 0 H LEU A 41 5.056 -14.907 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 41 5.477 -12.381 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.063 -15.212 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.614 -13.815 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 41 7.815 -13.070 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.482 -14.798 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.738 -14.446 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.322 -15.928 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.714 -14.713 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.571 -15.783 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.969 -14.189 -6.184 1.00 0.00 H new ATOM 244 N ASP A 42 3.038 -13.797 -6.007 1.00 0.00 N ATOM 245 CA ASP A 42 1.958 -13.672 -6.991 1.00 0.00 C ATOM 246 C ASP A 42 1.269 -12.288 -7.032 1.00 0.00 C ATOM 247 O ASP A 42 0.654 -11.965 -8.050 1.00 0.00 O ATOM 248 CB ASP A 42 0.907 -14.759 -6.723 1.00 0.00 C ATOM 249 CG ASP A 42 1.487 -16.180 -6.785 1.00 0.00 C ATOM 250 OD1 ASP A 42 2.139 -16.615 -5.806 1.00 0.00 O ATOM 251 OD2 ASP A 42 1.273 -16.870 -7.809 1.00 0.00 O ATOM 0 H ASP A 42 2.834 -14.505 -5.302 1.00 0.00 H new ATOM 0 HA ASP A 42 2.427 -13.793 -7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.465 -14.595 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.103 -14.668 -7.454 1.00 0.00 H new ATOM 256 N VAL A 43 1.339 -11.459 -5.969 1.00 0.00 N ATOM 257 CA VAL A 43 0.810 -10.078 -6.041 1.00 0.00 C ATOM 258 C VAL A 43 1.595 -9.232 -7.051 1.00 0.00 C ATOM 259 O VAL A 43 2.808 -9.379 -7.213 1.00 0.00 O ATOM 260 CB VAL A 43 0.727 -9.376 -4.669 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.101 -9.131 -4.029 1.00 0.00 C ATOM 262 CG2 VAL A 43 -0.042 -8.042 -4.759 1.00 0.00 C ATOM 0 H VAL A 43 1.747 -11.713 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.218 -10.171 -6.393 1.00 0.00 H new ATOM 0 HB VAL A 43 0.181 -10.067 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.971 -8.635 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.608 -10.084 -3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.701 -8.500 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.080 -7.577 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.466 -7.375 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.056 -8.230 -5.111 1.00 0.00 H new ATOM 272 N GLN A 44 0.884 -8.333 -7.726 1.00 0.00 N ATOM 273 CA GLN A 44 1.410 -7.487 -8.793 1.00 0.00 C ATOM 274 C GLN A 44 0.446 -6.325 -9.076 1.00 0.00 C ATOM 275 O GLN A 44 -0.619 -6.204 -8.445 1.00 0.00 O ATOM 276 CB GLN A 44 1.727 -8.341 -10.042 1.00 0.00 C ATOM 277 CG GLN A 44 0.532 -9.126 -10.593 1.00 0.00 C ATOM 278 CD GLN A 44 0.985 -10.326 -11.417 1.00 0.00 C ATOM 279 OE1 GLN A 44 1.294 -10.234 -12.603 1.00 0.00 O ATOM 280 NE2 GLN A 44 1.067 -11.495 -10.818 1.00 0.00 N ATOM 0 H GLN A 44 -0.105 -8.168 -7.540 1.00 0.00 H new ATOM 0 HA GLN A 44 2.351 -7.036 -8.479 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.109 -7.688 -10.826 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.524 -9.042 -9.795 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.094 -9.465 -9.768 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.082 -8.470 -11.210 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.813 -11.583 -9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.385 -12.313 -11.338 1.00 0.00 H new ATOM 289 N GLU A 45 0.838 -5.424 -9.973 1.00 0.00 N ATOM 290 CA GLU A 45 0.126 -4.160 -10.166 1.00 0.00 C ATOM 291 C GLU A 45 -1.356 -4.347 -10.515 1.00 0.00 C ATOM 292 O GLU A 45 -2.144 -3.516 -10.100 1.00 0.00 O ATOM 293 CB GLU A 45 0.817 -3.286 -11.232 1.00 0.00 C ATOM 294 CG GLU A 45 0.665 -1.792 -10.902 1.00 0.00 C ATOM 295 CD GLU A 45 0.705 -0.909 -12.168 1.00 0.00 C ATOM 296 OE1 GLU A 45 1.766 -0.848 -12.834 1.00 0.00 O ATOM 297 OE2 GLU A 45 -0.322 -0.262 -12.486 1.00 0.00 O ATOM 0 H GLU A 45 1.648 -5.545 -10.581 1.00 0.00 H new ATOM 0 HA GLU A 45 0.164 -3.648 -9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.875 -3.544 -11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.385 -3.492 -12.212 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.277 -1.631 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.462 -1.488 -10.224 1.00 0.00 H new ATOM 304 N SER A 46 -1.784 -5.420 -11.186 1.00 0.00 N ATOM 305 CA SER A 46 -3.212 -5.703 -11.442 1.00 0.00 C ATOM 306 C SER A 46 -4.047 -5.963 -10.174 1.00 0.00 C ATOM 307 O SER A 46 -5.217 -5.578 -10.098 1.00 0.00 O ATOM 308 CB SER A 46 -3.366 -6.886 -12.414 1.00 0.00 C ATOM 309 OG SER A 46 -2.380 -7.889 -12.236 1.00 0.00 O ATOM 0 H SER A 46 -1.153 -6.123 -11.571 1.00 0.00 H new ATOM 0 HA SER A 46 -3.608 -4.791 -11.888 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.353 -7.329 -12.283 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.317 -6.515 -13.438 1.00 0.00 H new ATOM 0 HG SER A 46 -2.493 -8.306 -11.356 1.00 0.00 H new ATOM 315 N GLU A 47 -3.459 -6.568 -9.141 1.00 0.00 N ATOM 316 CA GLU A 47 -4.108 -6.956 -7.897 1.00 0.00 C ATOM 317 C GLU A 47 -4.185 -5.733 -7.000 1.00 0.00 C ATOM 318 O GLU A 47 -5.222 -5.401 -6.414 1.00 0.00 O ATOM 319 CB GLU A 47 -3.217 -8.041 -7.275 1.00 0.00 C ATOM 320 CG GLU A 47 -3.626 -9.450 -7.712 1.00 0.00 C ATOM 321 CD GLU A 47 -3.688 -9.657 -9.233 1.00 0.00 C ATOM 322 OE1 GLU A 47 -2.694 -9.358 -9.933 1.00 0.00 O ATOM 323 OE2 GLU A 47 -4.731 -10.145 -9.737 1.00 0.00 O ATOM 0 H GLU A 47 -2.468 -6.811 -9.154 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.120 -7.335 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.180 -7.862 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.268 -7.971 -6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.921 -10.166 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.604 -9.678 -7.288 1.00 0.00 H new ATOM 330 N LEU A 48 -3.080 -4.990 -6.984 1.00 0.00 N ATOM 331 CA LEU A 48 -3.041 -3.685 -6.366 1.00 0.00 C ATOM 332 C LEU A 48 -3.995 -2.724 -7.103 1.00 0.00 C ATOM 333 O LEU A 48 -4.693 -1.956 -6.463 1.00 0.00 O ATOM 334 CB LEU A 48 -1.579 -3.244 -6.370 1.00 0.00 C ATOM 335 CG LEU A 48 -0.654 -4.179 -5.569 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.743 -4.255 -6.144 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.443 -3.635 -4.185 1.00 0.00 C ATOM 0 H LEU A 48 -2.195 -5.282 -7.399 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.395 -3.695 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.226 -3.192 -7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.510 -2.237 -5.958 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.145 -5.152 -5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.350 -4.928 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.696 -4.630 -7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.192 -3.262 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.212 -4.304 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.015 -2.648 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.403 -3.558 -3.674 1.00 0.00 H new ATOM 349 N ASN A 49 -4.135 -2.806 -8.428 1.00 0.00 N ATOM 350 CA ASN A 49 -5.128 -2.000 -9.161 1.00 0.00 C ATOM 351 C ASN A 49 -6.569 -2.330 -8.737 1.00 0.00 C ATOM 352 O ASN A 49 -7.370 -1.416 -8.547 1.00 0.00 O ATOM 353 CB ASN A 49 -4.981 -2.118 -10.694 1.00 0.00 C ATOM 354 CG ASN A 49 -4.145 -1.008 -11.315 1.00 0.00 C ATOM 355 OD1 ASN A 49 -4.652 -0.060 -11.897 1.00 0.00 O ATOM 356 ND2 ASN A 49 -2.845 -1.115 -11.236 1.00 0.00 N ATOM 0 H ASN A 49 -3.576 -3.421 -9.020 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.920 -0.965 -8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.528 -3.080 -10.934 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.972 -2.111 -11.147 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.248 -0.405 -11.661 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.427 -1.908 -10.749 1.00 0.00 H new ATOM 363 N GLU A 50 -6.900 -3.609 -8.544 1.00 0.00 N ATOM 364 CA GLU A 50 -8.203 -4.013 -7.990 1.00 0.00 C ATOM 365 C GLU A 50 -8.471 -3.448 -6.588 1.00 0.00 C ATOM 366 O GLU A 50 -9.593 -3.028 -6.291 1.00 0.00 O ATOM 367 CB GLU A 50 -8.293 -5.543 -7.950 1.00 0.00 C ATOM 368 CG GLU A 50 -8.705 -6.156 -9.300 1.00 0.00 C ATOM 369 CD GLU A 50 -10.170 -5.843 -9.664 1.00 0.00 C ATOM 370 OE1 GLU A 50 -11.090 -6.512 -9.132 1.00 0.00 O ATOM 371 OE2 GLU A 50 -10.415 -4.933 -10.491 1.00 0.00 O ATOM 0 H GLU A 50 -6.282 -4.390 -8.764 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.965 -3.597 -8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.327 -5.951 -7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.013 -5.839 -7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.050 -5.776 -10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.565 -7.236 -9.263 1.00 0.00 H new ATOM 378 N ILE A 51 -7.454 -3.428 -5.719 1.00 0.00 N ATOM 379 CA ILE A 51 -7.596 -3.011 -4.309 1.00 0.00 C ATOM 380 C ILE A 51 -7.517 -1.481 -4.124 1.00 0.00 C ATOM 381 O ILE A 51 -8.285 -0.926 -3.334 1.00 0.00 O ATOM 382 CB ILE A 51 -6.493 -3.710 -3.500 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.687 -5.243 -3.439 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.377 -3.136 -2.070 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.404 -5.980 -3.021 1.00 0.00 C ATOM 0 H ILE A 51 -6.504 -3.701 -5.970 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.586 -3.302 -3.957 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.562 -3.510 -4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.484 -5.478 -2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.009 -5.605 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.586 -3.658 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.140 -2.073 -2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.323 -3.272 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.593 -7.053 -2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.613 -5.770 -3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.095 -5.641 -2.032 1.00 0.00 H new ATOM 397 N PHE A 52 -6.595 -0.805 -4.813 1.00 0.00 N ATOM 398 CA PHE A 52 -6.214 0.600 -4.610 1.00 0.00 C ATOM 399 C PHE A 52 -6.787 1.551 -5.661 1.00 0.00 C ATOM 400 O PHE A 52 -6.995 2.733 -5.386 1.00 0.00 O ATOM 401 CB PHE A 52 -4.704 0.754 -4.676 1.00 0.00 C ATOM 402 CG PHE A 52 -3.922 0.120 -3.555 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.788 -1.275 -3.486 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.264 0.923 -2.616 1.00 0.00 C ATOM 405 CE1 PHE A 52 -2.959 -1.875 -2.537 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.367 0.324 -1.723 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.168 -1.064 -1.725 1.00 0.00 C ATOM 0 H PHE A 52 -6.065 -1.243 -5.567 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.619 0.862 -3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.357 0.330 -5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.469 1.818 -4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.336 -1.895 -4.180 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.445 1.987 -2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.931 -2.950 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.821 0.939 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.405 -1.503 -1.100 1.00 0.00 H new ATOM 417 N GLY A 53 -7.078 1.044 -6.861 1.00 0.00 N ATOM 418 CA GLY A 53 -7.798 1.778 -7.903 1.00 0.00 C ATOM 419 C GLY A 53 -9.096 2.469 -7.431 1.00 0.00 C ATOM 420 O GLY A 53 -9.360 3.578 -7.908 1.00 0.00 O ATOM 0 H GLY A 53 -6.816 0.098 -7.140 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.133 2.533 -8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.044 1.088 -8.710 1.00 0.00 H new ATOM 424 N PRO A 54 -9.889 1.912 -6.478 1.00 0.00 N ATOM 425 CA PRO A 54 -11.030 2.615 -5.877 1.00 0.00 C ATOM 426 C PRO A 54 -10.676 3.924 -5.148 1.00 0.00 C ATOM 427 O PRO A 54 -11.533 4.804 -5.032 1.00 0.00 O ATOM 428 CB PRO A 54 -11.678 1.616 -4.906 1.00 0.00 C ATOM 429 CG PRO A 54 -11.202 0.253 -5.402 1.00 0.00 C ATOM 430 CD PRO A 54 -9.794 0.586 -5.874 1.00 0.00 C ATOM 0 HA PRO A 54 -11.700 2.934 -6.675 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.364 1.798 -3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.765 1.690 -4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.204 -0.497 -4.611 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.826 -0.133 -6.208 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.090 0.583 -5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.438 -0.149 -6.595 1.00 0.00 H new ATOM 438 N PHE A 55 -9.441 4.078 -4.642 1.00 0.00 N ATOM 439 CA PHE A 55 -8.999 5.275 -3.908 1.00 0.00 C ATOM 440 C PHE A 55 -8.773 6.445 -4.856 1.00 0.00 C ATOM 441 O PHE A 55 -9.139 7.585 -4.558 1.00 0.00 O ATOM 442 CB PHE A 55 -7.694 5.008 -3.136 1.00 0.00 C ATOM 443 CG PHE A 55 -7.646 3.720 -2.338 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.831 3.103 -1.908 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.410 3.100 -2.095 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.792 1.859 -1.266 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.362 1.895 -1.366 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.557 1.268 -0.977 1.00 0.00 C ATOM 0 H PHE A 55 -8.714 3.368 -4.732 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.791 5.524 -3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.869 5.002 -3.848 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.521 5.841 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.780 3.591 -2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.499 3.545 -2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.710 1.359 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.410 1.455 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.523 0.325 -0.452 1.00 0.00 H new ATOM 458 N GLY A 56 -8.190 6.135 -6.005 1.00 0.00 N ATOM 459 CA GLY A 56 -8.085 7.048 -7.127 1.00 0.00 C ATOM 460 C GLY A 56 -6.699 7.025 -7.773 1.00 0.00 C ATOM 461 O GLY A 56 -6.536 6.403 -8.829 1.00 0.00 O ATOM 0 H GLY A 56 -7.769 5.223 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.835 6.788 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.308 8.060 -6.790 1.00 0.00 H new ATOM 465 N PRO A 57 -5.688 7.663 -7.155 1.00 0.00 N ATOM 466 CA PRO A 57 -4.310 7.633 -7.630 1.00 0.00 C ATOM 467 C PRO A 57 -3.606 6.320 -7.250 1.00 0.00 C ATOM 468 O PRO A 57 -3.986 5.637 -6.303 1.00 0.00 O ATOM 469 CB PRO A 57 -3.642 8.829 -6.941 1.00 0.00 C ATOM 470 CG PRO A 57 -4.350 8.880 -5.596 1.00 0.00 C ATOM 471 CD PRO A 57 -5.779 8.442 -5.922 1.00 0.00 C ATOM 0 HA PRO A 57 -4.255 7.690 -8.717 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.568 8.683 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.780 9.751 -7.506 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.882 8.213 -4.872 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.326 9.882 -5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.199 7.845 -5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.432 9.305 -6.053 1.00 0.00 H new ATOM 479 N MET A 58 -2.533 6.008 -7.978 1.00 0.00 N ATOM 480 CA MET A 58 -1.541 4.951 -7.704 1.00 0.00 C ATOM 481 C MET A 58 -0.209 5.392 -8.293 1.00 0.00 C ATOM 482 O MET A 58 0.386 4.767 -9.177 1.00 0.00 O ATOM 483 CB MET A 58 -1.926 3.597 -8.273 1.00 0.00 C ATOM 484 CG MET A 58 -3.347 3.122 -7.953 1.00 0.00 C ATOM 485 SD MET A 58 -3.673 1.405 -8.416 1.00 0.00 S ATOM 486 CE MET A 58 -2.479 0.619 -7.301 1.00 0.00 C ATOM 0 H MET A 58 -2.313 6.518 -8.834 1.00 0.00 H new ATOM 0 HA MET A 58 -1.483 4.820 -6.623 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.810 3.632 -9.356 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.221 2.853 -7.901 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.526 3.239 -6.884 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.059 3.767 -8.468 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.882 -0.330 -6.947 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.546 0.440 -7.835 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.291 1.273 -6.450 1.00 0.00 H new ATOM 496 N LYS A 59 0.194 6.572 -7.843 1.00 0.00 N ATOM 497 CA LYS A 59 1.368 7.305 -8.306 1.00 0.00 C ATOM 498 C LYS A 59 2.621 6.428 -8.360 1.00 0.00 C ATOM 499 O LYS A 59 3.451 6.626 -9.241 1.00 0.00 O ATOM 500 CB LYS A 59 1.464 8.577 -7.463 1.00 0.00 C ATOM 501 CG LYS A 59 2.778 9.348 -7.419 1.00 0.00 C ATOM 502 CD LYS A 59 3.862 8.592 -6.644 1.00 0.00 C ATOM 503 CE LYS A 59 4.719 9.557 -5.838 1.00 0.00 C ATOM 504 NZ LYS A 59 6.174 9.283 -5.973 1.00 0.00 N ATOM 0 H LYS A 59 -0.312 7.069 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 59 1.272 7.609 -9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.694 9.263 -7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.207 8.310 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.123 9.535 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.612 10.320 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.399 7.865 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.490 8.033 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.514 10.577 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.438 9.495 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.592 9.153 -5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.314 8.420 -6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.636 10.085 -6.449 1.00 0.00 H new ATOM 518 N GLU A 60 2.734 5.437 -7.465 1.00 0.00 N ATOM 519 CA GLU A 60 3.797 4.429 -7.523 1.00 0.00 C ATOM 520 C GLU A 60 3.435 3.165 -6.774 1.00 0.00 C ATOM 521 O GLU A 60 2.536 3.143 -5.941 1.00 0.00 O ATOM 522 CB GLU A 60 5.141 5.000 -7.024 1.00 0.00 C ATOM 523 CG GLU A 60 6.216 5.101 -8.102 1.00 0.00 C ATOM 524 CD GLU A 60 7.435 5.852 -7.541 1.00 0.00 C ATOM 525 OE1 GLU A 60 7.345 7.091 -7.360 1.00 0.00 O ATOM 526 OE2 GLU A 60 8.466 5.187 -7.271 1.00 0.00 O ATOM 0 H GLU A 60 2.091 5.313 -6.683 1.00 0.00 H new ATOM 0 HA GLU A 60 3.911 4.157 -8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.969 5.991 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.512 4.371 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.510 4.105 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.823 5.623 -8.974 1.00 0.00 H new ATOM 533 N VAL A 61 4.134 2.094 -7.137 1.00 0.00 N ATOM 534 CA VAL A 61 3.833 0.721 -6.756 1.00 0.00 C ATOM 535 C VAL A 61 5.157 -0.039 -6.744 1.00 0.00 C ATOM 536 O VAL A 61 5.559 -0.670 -7.719 1.00 0.00 O ATOM 537 CB VAL A 61 2.793 0.093 -7.730 1.00 0.00 C ATOM 538 CG1 VAL A 61 2.019 -1.009 -7.021 1.00 0.00 C ATOM 539 CG2 VAL A 61 1.739 1.037 -8.344 1.00 0.00 C ATOM 0 H VAL A 61 4.961 2.164 -7.730 1.00 0.00 H new ATOM 0 HA VAL A 61 3.376 0.674 -5.767 1.00 0.00 H new ATOM 0 HB VAL A 61 3.416 -0.253 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.293 -1.444 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.711 -1.782 -6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.498 -0.591 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.080 0.469 -9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.151 1.493 -7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.239 1.817 -8.918 1.00 0.00 H new ATOM 549 N LYS A 62 5.911 0.119 -5.650 1.00 0.00 N ATOM 550 CA LYS A 62 7.165 -0.613 -5.425 1.00 0.00 C ATOM 551 C LYS A 62 6.777 -2.057 -5.085 1.00 0.00 C ATOM 552 O LYS A 62 6.042 -2.251 -4.128 1.00 0.00 O ATOM 553 CB LYS A 62 7.944 0.039 -4.266 1.00 0.00 C ATOM 554 CG LYS A 62 8.067 1.583 -4.287 1.00 0.00 C ATOM 555 CD LYS A 62 9.438 2.116 -4.732 1.00 0.00 C ATOM 556 CE LYS A 62 9.816 1.775 -6.180 1.00 0.00 C ATOM 557 NZ LYS A 62 8.916 2.425 -7.167 1.00 0.00 N ATOM 0 H LYS A 62 5.669 0.759 -4.894 1.00 0.00 H new ATOM 0 HA LYS A 62 7.809 -0.591 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.466 -0.251 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.950 -0.382 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.303 1.985 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.852 1.964 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.448 3.199 -4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.203 1.715 -4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.843 2.087 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.781 0.694 -6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.261 2.234 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.954 2.045 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.902 3.452 -7.001 1.00 0.00 H new ATOM 571 N ILE A 63 7.197 -3.057 -5.861 1.00 0.00 N ATOM 572 CA ILE A 63 6.765 -4.463 -5.692 1.00 0.00 C ATOM 573 C ILE A 63 7.957 -5.426 -5.638 1.00 0.00 C ATOM 574 O ILE A 63 8.830 -5.423 -6.510 1.00 0.00 O ATOM 575 CB ILE A 63 5.717 -4.888 -6.750 1.00 0.00 C ATOM 576 CG1 ILE A 63 4.494 -3.943 -6.713 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.259 -6.343 -6.520 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.403 -4.256 -7.742 1.00 0.00 C ATOM 0 H ILE A 63 7.851 -2.923 -6.632 1.00 0.00 H new ATOM 0 HA ILE A 63 6.267 -4.523 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 63 6.188 -4.822 -7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.054 -3.981 -5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.839 -2.921 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.523 -6.617 -7.276 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.118 -7.010 -6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.812 -6.431 -5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.588 -3.540 -7.638 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.820 -4.187 -8.747 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.024 -5.264 -7.575 1.00 0.00 H new ATOM 590 N LEU A 64 7.977 -6.234 -4.573 1.00 0.00 N ATOM 591 CA LEU A 64 9.043 -7.145 -4.158 1.00 0.00 C ATOM 592 C LEU A 64 8.440 -8.517 -3.744 1.00 0.00 C ATOM 593 O LEU A 64 7.256 -8.764 -3.960 1.00 0.00 O ATOM 594 CB LEU A 64 9.828 -6.512 -2.988 1.00 0.00 C ATOM 595 CG LEU A 64 10.492 -5.120 -3.092 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.635 -3.905 -3.471 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.148 -4.868 -1.735 1.00 0.00 C ATOM 0 H LEU A 64 7.186 -6.269 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 64 9.727 -7.314 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.144 -6.469 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.618 -7.216 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 64 11.166 -5.188 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.260 -3.013 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.190 -4.066 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.845 -3.772 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.638 -3.894 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.387 -4.885 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.887 -5.644 -1.538 1.00 0.00 H new ATOM 609 N ASN A 65 9.265 -9.368 -3.111 1.00 0.00 N ATOM 610 CA ASN A 65 9.176 -10.793 -2.678 1.00 0.00 C ATOM 611 C ASN A 65 7.897 -11.315 -1.952 1.00 0.00 C ATOM 612 O ASN A 65 7.961 -12.217 -1.111 1.00 0.00 O ATOM 613 CB ASN A 65 10.407 -11.103 -1.787 1.00 0.00 C ATOM 614 CG ASN A 65 11.584 -10.149 -1.894 1.00 0.00 C ATOM 615 OD1 ASN A 65 11.751 -9.239 -1.100 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.384 -10.236 -2.928 1.00 0.00 N ATOM 0 H ASN A 65 10.181 -9.011 -2.839 1.00 0.00 H new ATOM 0 HA ASN A 65 9.133 -11.326 -3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.079 -11.123 -0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.759 -12.106 -2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.128 -9.550 -3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.262 -10.989 -3.605 1.00 0.00 H new ATOM 623 N GLY A 66 6.737 -10.747 -2.234 1.00 0.00 N ATOM 624 CA GLY A 66 5.484 -10.879 -1.490 1.00 0.00 C ATOM 625 C GLY A 66 5.051 -9.530 -0.905 1.00 0.00 C ATOM 626 O GLY A 66 4.183 -9.480 -0.033 1.00 0.00 O ATOM 0 H GLY A 66 6.633 -10.137 -3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.704 -11.262 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.608 -11.605 -0.687 1.00 0.00 H new ATOM 630 N PHE A 67 5.671 -8.431 -1.364 1.00 0.00 N ATOM 631 CA PHE A 67 5.540 -7.116 -0.737 1.00 0.00 C ATOM 632 C PHE A 67 5.189 -6.040 -1.757 1.00 0.00 C ATOM 633 O PHE A 67 5.666 -6.057 -2.893 1.00 0.00 O ATOM 634 CB PHE A 67 6.863 -6.755 -0.048 1.00 0.00 C ATOM 635 CG PHE A 67 7.491 -7.862 0.773 1.00 0.00 C ATOM 636 CD1 PHE A 67 6.713 -8.447 1.783 1.00 0.00 C ATOM 637 CD2 PHE A 67 8.805 -8.327 0.560 1.00 0.00 C ATOM 638 CE1 PHE A 67 7.225 -9.455 2.607 1.00 0.00 C ATOM 639 CE2 PHE A 67 9.320 -9.353 1.376 1.00 0.00 C ATOM 640 CZ PHE A 67 8.537 -9.913 2.404 1.00 0.00 C ATOM 0 H PHE A 67 6.278 -8.435 -2.184 1.00 0.00 H new ATOM 0 HA PHE A 67 4.731 -7.164 -0.008 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.576 -6.442 -0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.692 -5.896 0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.697 -8.112 1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.413 -7.899 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.616 -9.877 3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.325 -9.714 1.212 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.944 -10.691 3.033 1.00 0.00 H new ATOM 650 N ALA A 68 4.407 -5.067 -1.320 1.00 0.00 N ATOM 651 CA ALA A 68 4.016 -3.899 -2.092 1.00 0.00 C ATOM 652 C ALA A 68 4.059 -2.661 -1.196 1.00 0.00 C ATOM 653 O ALA A 68 3.519 -2.634 -0.087 1.00 0.00 O ATOM 654 CB ALA A 68 2.654 -4.156 -2.724 1.00 0.00 C ATOM 0 H ALA A 68 4.011 -5.069 -0.380 1.00 0.00 H new ATOM 0 HA ALA A 68 4.711 -3.710 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.352 -3.285 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.715 -5.026 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.919 -4.342 -1.941 1.00 0.00 H new ATOM 660 N PHE A 69 4.727 -1.635 -1.701 1.00 0.00 N ATOM 661 CA PHE A 69 4.910 -0.335 -1.078 1.00 0.00 C ATOM 662 C PHE A 69 4.415 0.670 -2.106 1.00 0.00 C ATOM 663 O PHE A 69 5.151 1.210 -2.938 1.00 0.00 O ATOM 664 CB PHE A 69 6.342 -0.085 -0.566 1.00 0.00 C ATOM 665 CG PHE A 69 7.073 -1.301 -0.024 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.492 -2.305 -0.911 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.342 -1.445 1.352 1.00 0.00 C ATOM 668 CE1 PHE A 69 8.124 -3.455 -0.429 1.00 0.00 C ATOM 669 CE2 PHE A 69 8.049 -2.572 1.813 1.00 0.00 C ATOM 670 CZ PHE A 69 8.454 -3.575 0.915 1.00 0.00 C ATOM 0 H PHE A 69 5.183 -1.692 -2.612 1.00 0.00 H new ATOM 0 HA PHE A 69 4.339 -0.250 -0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.931 0.336 -1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.300 0.670 0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.325 -2.188 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.007 -0.693 2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.359 -4.260 -1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.282 -2.667 2.863 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.015 -4.429 1.266 1.00 0.00 H new ATOM 680 N VAL A 70 3.092 0.772 -2.150 1.00 0.00 N ATOM 681 CA VAL A 70 2.397 1.703 -3.035 1.00 0.00 C ATOM 682 C VAL A 70 2.636 3.115 -2.509 1.00 0.00 C ATOM 683 O VAL A 70 3.055 3.313 -1.371 1.00 0.00 O ATOM 684 CB VAL A 70 0.918 1.284 -3.232 1.00 0.00 C ATOM 685 CG1 VAL A 70 0.272 1.734 -4.540 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.792 -0.219 -3.424 1.00 0.00 C ATOM 0 H VAL A 70 2.468 0.210 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 70 2.794 1.681 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 70 0.455 1.721 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.761 1.388 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.292 2.822 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.823 1.314 -5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.257 -0.482 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.359 -0.522 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.184 -0.732 -2.546 1.00 0.00 H new ATOM 696 N GLU A 71 2.429 4.115 -3.347 1.00 0.00 N ATOM 697 CA GLU A 71 2.813 5.487 -3.059 1.00 0.00 C ATOM 698 C GLU A 71 1.886 6.440 -3.805 1.00 0.00 C ATOM 699 O GLU A 71 1.452 6.156 -4.936 1.00 0.00 O ATOM 700 CB GLU A 71 4.255 5.698 -3.529 1.00 0.00 C ATOM 701 CG GLU A 71 4.821 7.040 -3.065 1.00 0.00 C ATOM 702 CD GLU A 71 6.349 7.110 -3.163 1.00 0.00 C ATOM 703 OE1 GLU A 71 7.044 6.198 -2.664 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.885 8.159 -3.583 1.00 0.00 O ATOM 0 H GLU A 71 1.984 3.997 -4.257 1.00 0.00 H new ATOM 0 HA GLU A 71 2.738 5.682 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.881 4.890 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.292 5.646 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.387 7.839 -3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.520 7.218 -2.033 1.00 0.00 H new ATOM 711 N PHE A 72 1.650 7.599 -3.204 1.00 0.00 N ATOM 712 CA PHE A 72 0.768 8.638 -3.708 1.00 0.00 C ATOM 713 C PHE A 72 1.443 10.015 -3.781 1.00 0.00 C ATOM 714 O PHE A 72 2.497 10.267 -3.202 1.00 0.00 O ATOM 715 CB PHE A 72 -0.491 8.694 -2.823 1.00 0.00 C ATOM 716 CG PHE A 72 -1.319 7.424 -2.715 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.530 6.580 -3.823 1.00 0.00 C ATOM 718 CD2 PHE A 72 -1.938 7.118 -1.490 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.313 5.421 -3.685 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.767 5.991 -1.376 1.00 0.00 C ATOM 721 CZ PHE A 72 -2.942 5.136 -2.472 1.00 0.00 C ATOM 0 H PHE A 72 2.086 7.849 -2.317 1.00 0.00 H new ATOM 0 HA PHE A 72 0.499 8.382 -4.733 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.185 8.985 -1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.136 9.487 -3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.090 6.824 -4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.775 7.754 -0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.429 4.748 -4.522 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.270 5.783 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.563 4.257 -2.378 1.00 0.00 H new ATOM 731 N GLU A 73 0.772 10.925 -4.492 1.00 0.00 N ATOM 732 CA GLU A 73 1.043 12.374 -4.513 1.00 0.00 C ATOM 733 C GLU A 73 -0.132 13.148 -3.868 1.00 0.00 C ATOM 734 O GLU A 73 -0.298 14.356 -4.034 1.00 0.00 O ATOM 735 CB GLU A 73 1.367 12.836 -5.951 1.00 0.00 C ATOM 736 CG GLU A 73 0.238 12.562 -6.955 1.00 0.00 C ATOM 737 CD GLU A 73 0.665 12.936 -8.381 1.00 0.00 C ATOM 738 OE1 GLU A 73 0.540 14.125 -8.772 1.00 0.00 O ATOM 739 OE2 GLU A 73 1.116 12.042 -9.137 1.00 0.00 O ATOM 0 H GLU A 73 -0.009 10.666 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 73 1.925 12.595 -3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.581 13.905 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.273 12.333 -6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.037 11.508 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.648 13.132 -6.676 1.00 0.00 H new ATOM 746 N GLU A 74 -0.967 12.418 -3.114 1.00 0.00 N ATOM 747 CA GLU A 74 -2.240 12.827 -2.524 1.00 0.00 C ATOM 748 C GLU A 74 -2.328 12.226 -1.106 1.00 0.00 C ATOM 749 O GLU A 74 -2.651 11.046 -0.942 1.00 0.00 O ATOM 750 CB GLU A 74 -3.398 12.339 -3.427 1.00 0.00 C ATOM 751 CG GLU A 74 -4.785 12.815 -2.960 1.00 0.00 C ATOM 752 CD GLU A 74 -5.934 12.203 -3.781 1.00 0.00 C ATOM 753 OE1 GLU A 74 -5.951 12.372 -5.023 1.00 0.00 O ATOM 754 OE2 GLU A 74 -6.852 11.580 -3.181 1.00 0.00 O ATOM 0 H GLU A 74 -0.747 11.449 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.312 13.912 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.226 12.689 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.389 11.250 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.918 12.557 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.834 13.902 -3.030 1.00 0.00 H new ATOM 761 N ALA A 75 -2.026 13.017 -0.076 1.00 0.00 N ATOM 762 CA ALA A 75 -2.136 12.580 1.318 1.00 0.00 C ATOM 763 C ALA A 75 -3.572 12.169 1.705 1.00 0.00 C ATOM 764 O ALA A 75 -3.769 11.288 2.548 1.00 0.00 O ATOM 765 CB ALA A 75 -1.597 13.689 2.232 1.00 0.00 C ATOM 0 H ALA A 75 -1.699 13.977 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.534 11.680 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.675 13.373 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.553 13.885 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.180 14.598 2.084 1.00 0.00 H new ATOM 771 N GLU A 76 -4.583 12.739 1.041 1.00 0.00 N ATOM 772 CA GLU A 76 -5.982 12.311 1.170 1.00 0.00 C ATOM 773 C GLU A 76 -6.216 10.892 0.628 1.00 0.00 C ATOM 774 O GLU A 76 -7.100 10.192 1.117 1.00 0.00 O ATOM 775 CB GLU A 76 -6.921 13.308 0.465 1.00 0.00 C ATOM 776 CG GLU A 76 -6.831 14.745 1.002 1.00 0.00 C ATOM 777 CD GLU A 76 -7.293 14.854 2.471 1.00 0.00 C ATOM 778 OE1 GLU A 76 -8.517 14.997 2.714 1.00 0.00 O ATOM 779 OE2 GLU A 76 -6.440 14.812 3.385 1.00 0.00 O ATOM 0 H GLU A 76 -4.454 13.517 0.394 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.208 12.293 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.691 13.315 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.948 12.957 0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.803 15.097 0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.442 15.401 0.382 1.00 0.00 H new ATOM 786 N SER A 77 -5.410 10.419 -0.329 1.00 0.00 N ATOM 787 CA SER A 77 -5.439 9.014 -0.752 1.00 0.00 C ATOM 788 C SER A 77 -4.803 8.104 0.264 1.00 0.00 C ATOM 789 O SER A 77 -5.328 7.025 0.482 1.00 0.00 O ATOM 790 CB SER A 77 -4.827 8.762 -2.122 1.00 0.00 C ATOM 791 OG SER A 77 -5.178 7.474 -2.587 1.00 0.00 O ATOM 0 H SER A 77 -4.727 10.991 -0.827 1.00 0.00 H new ATOM 0 HA SER A 77 -6.500 8.779 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.174 9.518 -2.827 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.742 8.852 -2.065 1.00 0.00 H new ATOM 0 HG SER A 77 -4.465 6.840 -2.364 1.00 0.00 H new ATOM 797 N ALA A 78 -3.743 8.523 0.947 1.00 0.00 N ATOM 798 CA ALA A 78 -3.222 7.728 2.047 1.00 0.00 C ATOM 799 C ALA A 78 -4.260 7.622 3.170 1.00 0.00 C ATOM 800 O ALA A 78 -4.611 6.509 3.549 1.00 0.00 O ATOM 801 CB ALA A 78 -1.896 8.323 2.477 1.00 0.00 C ATOM 0 H ALA A 78 -3.238 9.390 0.762 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.032 6.699 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.487 7.741 3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.199 8.303 1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.047 9.353 2.799 1.00 0.00 H new ATOM 807 N ALA A 79 -4.844 8.749 3.603 1.00 0.00 N ATOM 808 CA ALA A 79 -5.953 8.788 4.557 1.00 0.00 C ATOM 809 C ALA A 79 -7.114 7.857 4.162 1.00 0.00 C ATOM 810 O ALA A 79 -7.538 7.013 4.963 1.00 0.00 O ATOM 811 CB ALA A 79 -6.408 10.244 4.727 1.00 0.00 C ATOM 0 H ALA A 79 -4.550 9.675 3.292 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.601 8.407 5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.235 10.286 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.578 10.843 5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.735 10.638 3.765 1.00 0.00 H new ATOM 817 N LYS A 80 -7.601 7.949 2.914 1.00 0.00 N ATOM 818 CA LYS A 80 -8.695 7.084 2.472 1.00 0.00 C ATOM 819 C LYS A 80 -8.267 5.632 2.317 1.00 0.00 C ATOM 820 O LYS A 80 -8.991 4.761 2.769 1.00 0.00 O ATOM 821 CB LYS A 80 -9.405 7.646 1.222 1.00 0.00 C ATOM 822 CG LYS A 80 -8.979 7.105 -0.141 1.00 0.00 C ATOM 823 CD LYS A 80 -9.621 7.963 -1.257 1.00 0.00 C ATOM 824 CE LYS A 80 -8.642 9.035 -1.753 1.00 0.00 C ATOM 825 NZ LYS A 80 -9.155 9.871 -2.862 1.00 0.00 N ATOM 0 H LYS A 80 -7.259 8.602 2.209 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.439 7.083 3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.474 7.466 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.263 8.727 1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.893 7.126 -0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.287 6.065 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.918 7.323 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.527 8.438 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.380 9.684 -0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.723 8.547 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.460 10.610 -3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.315 9.276 -3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.051 10.315 -2.576 1.00 0.00 H new ATOM 839 N ALA A 81 -7.078 5.365 1.786 1.00 0.00 N ATOM 840 CA ALA A 81 -6.535 4.015 1.653 1.00 0.00 C ATOM 841 C ALA A 81 -6.469 3.341 3.047 1.00 0.00 C ATOM 842 O ALA A 81 -6.877 2.186 3.204 1.00 0.00 O ATOM 843 CB ALA A 81 -5.166 4.055 0.960 1.00 0.00 C ATOM 0 H ALA A 81 -6.455 6.090 1.431 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.192 3.414 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.775 3.042 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.273 4.494 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.477 4.658 1.551 1.00 0.00 H new ATOM 849 N ILE A 82 -6.026 4.085 4.074 1.00 0.00 N ATOM 850 CA ILE A 82 -6.032 3.638 5.475 1.00 0.00 C ATOM 851 C ILE A 82 -7.449 3.245 5.900 1.00 0.00 C ATOM 852 O ILE A 82 -7.707 2.091 6.246 1.00 0.00 O ATOM 853 CB ILE A 82 -5.448 4.694 6.446 1.00 0.00 C ATOM 854 CG1 ILE A 82 -3.945 4.970 6.231 1.00 0.00 C ATOM 855 CG2 ILE A 82 -5.631 4.293 7.927 1.00 0.00 C ATOM 856 CD1 ILE A 82 -3.605 6.425 6.541 1.00 0.00 C ATOM 0 H ILE A 82 -5.649 5.025 3.952 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.381 2.766 5.533 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.015 5.597 6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.356 4.311 6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.674 4.741 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.205 5.065 8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.693 4.184 8.146 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.124 3.346 8.113 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.540 6.592 6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.177 7.080 5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.855 6.644 7.579 1.00 0.00 H new ATOM 868 N GLU A 83 -8.387 4.189 5.826 1.00 0.00 N ATOM 869 CA GLU A 83 -9.765 3.943 6.265 1.00 0.00 C ATOM 870 C GLU A 83 -10.478 2.843 5.451 1.00 0.00 C ATOM 871 O GLU A 83 -11.313 2.114 5.990 1.00 0.00 O ATOM 872 CB GLU A 83 -10.548 5.262 6.263 1.00 0.00 C ATOM 873 CG GLU A 83 -10.022 6.271 7.299 1.00 0.00 C ATOM 874 CD GLU A 83 -10.198 5.781 8.745 1.00 0.00 C ATOM 875 OE1 GLU A 83 -11.323 5.893 9.299 1.00 0.00 O ATOM 876 OE2 GLU A 83 -9.217 5.292 9.353 1.00 0.00 O ATOM 0 H GLU A 83 -8.221 5.129 5.468 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.724 3.556 7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.496 5.708 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.599 5.055 6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.966 6.462 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.545 7.219 7.175 1.00 0.00 H new ATOM 883 N GLU A 84 -10.094 2.649 4.187 1.00 0.00 N ATOM 884 CA GLU A 84 -10.661 1.653 3.265 1.00 0.00 C ATOM 885 C GLU A 84 -10.206 0.232 3.585 1.00 0.00 C ATOM 886 O GLU A 84 -11.024 -0.690 3.548 1.00 0.00 O ATOM 887 CB GLU A 84 -10.212 1.922 1.816 1.00 0.00 C ATOM 888 CG GLU A 84 -10.922 3.085 1.119 1.00 0.00 C ATOM 889 CD GLU A 84 -12.262 2.666 0.483 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.216 2.328 1.228 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.378 2.685 -0.764 1.00 0.00 O ATOM 0 H GLU A 84 -9.351 3.201 3.758 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.741 1.741 3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.140 2.119 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.370 1.017 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.100 3.882 1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.270 3.494 0.347 1.00 0.00 H new ATOM 898 N VAL A 85 -8.912 0.036 3.895 1.00 0.00 N ATOM 899 CA VAL A 85 -8.330 -1.318 3.907 1.00 0.00 C ATOM 900 C VAL A 85 -7.081 -1.523 4.799 1.00 0.00 C ATOM 901 O VAL A 85 -6.535 -2.621 4.845 1.00 0.00 O ATOM 902 CB VAL A 85 -8.170 -1.753 2.425 1.00 0.00 C ATOM 903 CG1 VAL A 85 -7.013 -1.055 1.723 1.00 0.00 C ATOM 904 CG2 VAL A 85 -8.165 -3.270 2.229 1.00 0.00 C ATOM 0 H VAL A 85 -8.260 0.782 4.136 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.015 -1.992 4.421 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.074 -1.406 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.952 -1.400 0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.176 0.023 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.081 -1.287 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.050 -3.500 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.337 -3.706 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.105 -3.687 2.590 1.00 0.00 H new ATOM 914 N HIS A 86 -6.650 -0.541 5.604 1.00 0.00 N ATOM 915 CA HIS A 86 -5.627 -0.773 6.646 1.00 0.00 C ATOM 916 C HIS A 86 -6.163 -1.654 7.787 1.00 0.00 C ATOM 917 O HIS A 86 -7.125 -1.291 8.468 1.00 0.00 O ATOM 918 CB HIS A 86 -5.139 0.548 7.249 1.00 0.00 C ATOM 919 CG HIS A 86 -3.983 0.424 8.222 1.00 0.00 C ATOM 920 ND1 HIS A 86 -2.721 0.936 8.034 1.00 0.00 N ATOM 921 CD2 HIS A 86 -3.996 -0.132 9.480 1.00 0.00 C ATOM 922 CE1 HIS A 86 -1.985 0.682 9.131 1.00 0.00 C ATOM 923 NE2 HIS A 86 -2.721 0.023 10.037 1.00 0.00 N ATOM 0 H HIS A 86 -6.990 0.420 5.558 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.800 -1.284 6.153 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.840 1.211 6.437 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.974 1.026 7.761 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.397 1.427 7.201 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.842 -0.606 9.955 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.952 0.967 9.263 1.00 0.00 H new ATOM 931 N GLY A 87 -5.526 -2.803 8.014 1.00 0.00 N ATOM 932 CA GLY A 87 -5.759 -3.682 9.173 1.00 0.00 C ATOM 933 C GLY A 87 -6.826 -4.740 8.897 1.00 0.00 C ATOM 934 O GLY A 87 -7.063 -5.641 9.708 1.00 0.00 O ATOM 0 H GLY A 87 -4.812 -3.163 7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.825 -4.174 9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.063 -3.078 10.028 1.00 0.00 H new ATOM 938 N LYS A 88 -7.444 -4.628 7.728 1.00 0.00 N ATOM 939 CA LYS A 88 -8.323 -5.591 7.095 1.00 0.00 C ATOM 940 C LYS A 88 -7.472 -6.740 6.568 1.00 0.00 C ATOM 941 O LYS A 88 -6.418 -6.515 5.965 1.00 0.00 O ATOM 942 CB LYS A 88 -8.988 -4.887 5.915 1.00 0.00 C ATOM 943 CG LYS A 88 -10.140 -3.923 6.251 1.00 0.00 C ATOM 944 CD LYS A 88 -9.689 -2.673 7.031 1.00 0.00 C ATOM 945 CE LYS A 88 -10.572 -1.464 6.715 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.050 -0.208 7.319 1.00 0.00 N ATOM 0 H LYS A 88 -7.331 -3.792 7.155 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.069 -5.971 7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.223 -4.329 5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.368 -5.648 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.622 -3.609 5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.890 -4.456 6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.722 -2.879 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.653 -2.443 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.643 -1.342 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.581 -1.649 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.495 0.611 6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.270 -0.194 8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.019 -0.162 7.187 1.00 0.00 H new ATOM 960 N SER A 89 -7.939 -7.961 6.774 1.00 0.00 N ATOM 961 CA SER A 89 -7.255 -9.200 6.384 1.00 0.00 C ATOM 962 C SER A 89 -7.405 -9.465 4.874 1.00 0.00 C ATOM 963 O SER A 89 -8.449 -9.961 4.438 1.00 0.00 O ATOM 964 CB SER A 89 -7.756 -10.382 7.226 1.00 0.00 C ATOM 965 OG SER A 89 -9.171 -10.465 7.246 1.00 0.00 O ATOM 0 H SER A 89 -8.834 -8.131 7.232 1.00 0.00 H new ATOM 0 HA SER A 89 -6.190 -9.083 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.345 -11.310 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.385 -10.282 8.246 1.00 0.00 H new ATOM 0 HG SER A 89 -9.519 -10.333 6.339 1.00 0.00 H new ATOM 971 N PHE A 90 -6.382 -9.157 4.065 1.00 0.00 N ATOM 972 CA PHE A 90 -6.378 -9.557 2.660 1.00 0.00 C ATOM 973 C PHE A 90 -5.621 -10.880 2.479 1.00 0.00 C ATOM 974 O PHE A 90 -4.638 -11.133 3.175 1.00 0.00 O ATOM 975 CB PHE A 90 -5.758 -8.442 1.821 1.00 0.00 C ATOM 976 CG PHE A 90 -6.062 -8.608 0.349 1.00 0.00 C ATOM 977 CD1 PHE A 90 -7.252 -8.074 -0.172 1.00 0.00 C ATOM 978 CD2 PHE A 90 -5.229 -9.400 -0.451 1.00 0.00 C ATOM 979 CE1 PHE A 90 -7.630 -8.370 -1.491 1.00 0.00 C ATOM 980 CE2 PHE A 90 -5.608 -9.702 -1.772 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.820 -9.205 -2.279 1.00 0.00 C ATOM 0 H PHE A 90 -5.556 -8.637 4.360 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.402 -9.719 2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.135 -7.478 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.678 -8.433 1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.874 -7.438 0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.298 -9.778 -0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.541 -7.957 -1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.970 -10.313 -2.393 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.131 -9.466 -3.280 1.00 0.00 H new ATOM 991 N ALA A 91 -6.056 -11.710 1.521 1.00 0.00 N ATOM 992 CA ALA A 91 -5.545 -13.053 1.211 1.00 0.00 C ATOM 993 C ALA A 91 -5.599 -14.063 2.388 1.00 0.00 C ATOM 994 O ALA A 91 -6.314 -15.065 2.298 1.00 0.00 O ATOM 995 CB ALA A 91 -4.151 -12.909 0.573 1.00 0.00 C ATOM 0 H ALA A 91 -6.823 -11.445 0.903 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.222 -13.514 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.756 -13.897 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.228 -12.320 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.481 -12.408 1.272 1.00 0.00 H new ATOM 1001 N ASN A 92 -4.902 -13.788 3.495 1.00 0.00 N ATOM 1002 CA ASN A 92 -4.974 -14.513 4.772 1.00 0.00 C ATOM 1003 C ASN A 92 -4.560 -13.680 6.010 1.00 0.00 C ATOM 1004 O ASN A 92 -4.606 -14.212 7.124 1.00 0.00 O ATOM 1005 CB ASN A 92 -4.128 -15.802 4.655 1.00 0.00 C ATOM 1006 CG ASN A 92 -2.655 -15.539 4.385 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -2.189 -15.549 3.259 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -1.870 -15.282 5.412 1.00 0.00 N ATOM 0 H ASN A 92 -4.238 -13.015 3.529 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.023 -14.753 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.223 -16.375 5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.531 -16.420 3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.879 -15.093 5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.253 -15.272 6.357 1.00 0.00 H new ATOM 1015 N GLN A 93 -4.120 -12.418 5.868 1.00 0.00 N ATOM 1016 CA GLN A 93 -3.550 -11.600 6.958 1.00 0.00 C ATOM 1017 C GLN A 93 -3.602 -10.086 6.630 1.00 0.00 C ATOM 1018 O GLN A 93 -3.882 -9.710 5.491 1.00 0.00 O ATOM 1019 CB GLN A 93 -2.140 -12.137 7.320 1.00 0.00 C ATOM 1020 CG GLN A 93 -1.087 -12.061 6.208 1.00 0.00 C ATOM 1021 CD GLN A 93 0.124 -12.964 6.451 1.00 0.00 C ATOM 1022 OE1 GLN A 93 0.582 -13.166 7.566 1.00 0.00 O ATOM 1023 NE2 GLN A 93 0.678 -13.573 5.418 1.00 0.00 N ATOM 0 H GLN A 93 -4.150 -11.926 4.975 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.162 -11.696 7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.771 -11.580 8.182 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.238 -13.177 7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.550 -12.335 5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.747 -11.030 6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.312 -13.419 4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.472 -14.197 5.560 1.00 0.00 H new ATOM 1032 N PRO A 94 -3.452 -9.183 7.619 1.00 0.00 N ATOM 1033 CA PRO A 94 -3.724 -7.761 7.393 1.00 0.00 C ATOM 1034 C PRO A 94 -2.632 -6.915 6.726 1.00 0.00 C ATOM 1035 O PRO A 94 -1.466 -7.290 6.586 1.00 0.00 O ATOM 1036 CB PRO A 94 -4.093 -7.201 8.774 1.00 0.00 C ATOM 1037 CG PRO A 94 -3.334 -8.114 9.731 1.00 0.00 C ATOM 1038 CD PRO A 94 -3.426 -9.469 9.045 1.00 0.00 C ATOM 0 HA PRO A 94 -4.516 -7.696 6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.787 -6.160 8.882 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.168 -7.237 8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.300 -7.795 9.860 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.789 -8.130 10.722 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.574 -10.098 9.303 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.323 -10.005 9.354 1.00 0.00 H new ATOM 1046 N LEU A 95 -3.089 -5.727 6.326 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.434 -4.683 5.541 1.00 0.00 C ATOM 1048 C LEU A 95 -1.954 -3.509 6.416 1.00 0.00 C ATOM 1049 O LEU A 95 -2.657 -3.088 7.331 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.534 -4.212 4.565 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.632 -5.011 3.257 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -3.315 -6.477 3.324 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -4.966 -4.906 2.547 1.00 0.00 C ATOM 0 H LEU A 95 -4.037 -5.443 6.574 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.539 -5.055 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.496 -4.261 5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.356 -3.165 4.320 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.843 -4.507 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.423 -6.918 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.291 -6.612 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.001 -6.966 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.941 -5.502 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.756 -5.276 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.162 -3.864 2.294 1.00 0.00 H new ATOM 1065 N GLU A 96 -0.812 -2.913 6.055 1.00 0.00 N ATOM 1066 CA GLU A 96 -0.228 -1.732 6.732 1.00 0.00 C ATOM 1067 C GLU A 96 -0.117 -0.547 5.742 1.00 0.00 C ATOM 1068 O GLU A 96 0.916 0.092 5.521 1.00 0.00 O ATOM 1069 CB GLU A 96 1.086 -2.126 7.426 1.00 0.00 C ATOM 1070 CG GLU A 96 1.508 -1.154 8.536 1.00 0.00 C ATOM 1071 CD GLU A 96 2.972 -1.393 8.956 1.00 0.00 C ATOM 1072 OE1 GLU A 96 3.391 -2.576 9.072 1.00 0.00 O ATOM 1073 OE2 GLU A 96 3.709 -0.407 9.178 1.00 0.00 O ATOM 0 H GLU A 96 -0.250 -3.239 5.269 1.00 0.00 H new ATOM 0 HA GLU A 96 -0.884 -1.377 7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.978 -3.124 7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.879 -2.180 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.389 -0.127 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.854 -1.277 9.399 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.245 -0.287 5.086 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.484 0.830 4.164 1.00 0.00 C ATOM 1082 C VAL A 97 -1.282 2.123 4.922 1.00 0.00 C ATOM 1083 O VAL A 97 -2.127 2.436 5.763 1.00 0.00 O ATOM 1084 CB VAL A 97 -2.946 0.786 3.704 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.406 1.988 2.891 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.192 -0.424 2.811 1.00 0.00 C ATOM 0 H VAL A 97 -2.067 -0.882 5.187 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.808 0.763 3.311 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.505 0.758 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.453 1.861 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.296 2.894 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.800 2.071 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.235 -0.437 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.548 -0.366 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.969 -1.336 3.365 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.177 2.849 4.727 1.00 0.00 N ATOM 1097 CA VAL A 98 0.121 3.902 5.697 1.00 0.00 C ATOM 1098 C VAL A 98 0.952 5.068 5.142 1.00 0.00 C ATOM 1099 O VAL A 98 0.636 5.675 4.109 1.00 0.00 O ATOM 1100 CB VAL A 98 0.630 3.142 6.976 1.00 0.00 C ATOM 1101 CG1 VAL A 98 2.122 2.785 7.137 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.095 3.705 8.188 1.00 0.00 C ATOM 0 H VAL A 98 0.486 2.739 3.960 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.754 4.489 5.977 1.00 0.00 H new ATOM 0 HB VAL A 98 0.351 2.099 6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.272 2.264 8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.433 2.140 6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.718 3.698 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.245 3.190 9.087 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.119 4.770 8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.169 3.559 8.070 1.00 0.00 H new ATOM 1112 N TYR A 99 2.045 5.373 5.822 1.00 0.00 N ATOM 1113 CA TYR A 99 3.083 6.326 5.455 1.00 0.00 C ATOM 1114 C TYR A 99 4.432 5.596 5.215 1.00 0.00 C ATOM 1115 O TYR A 99 5.484 6.221 5.219 1.00 0.00 O ATOM 1116 CB TYR A 99 3.095 7.379 6.577 1.00 0.00 C ATOM 1117 CG TYR A 99 1.747 8.015 6.913 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.791 8.280 5.909 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.441 8.336 8.255 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.441 8.882 6.236 1.00 0.00 C ATOM 1121 CE2 TYR A 99 0.202 8.922 8.588 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.743 9.199 7.576 1.00 0.00 C ATOM 1123 OH TYR A 99 -1.939 9.773 7.878 1.00 0.00 O ATOM 0 H TYR A 99 2.246 4.926 6.716 1.00 0.00 H new ATOM 0 HA TYR A 99 2.895 6.831 4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.490 6.914 7.480 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.789 8.172 6.297 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.005 8.020 4.883 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.162 8.131 9.032 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.156 9.101 5.457 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.024 9.159 9.617 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.993 9.927 8.844 1.00 0.00 H new ATOM 1133 N SER A 100 4.389 4.270 5.003 1.00 0.00 N ATOM 1134 CA SER A 100 5.482 3.267 4.907 1.00 0.00 C ATOM 1135 C SER A 100 6.931 3.719 5.249 1.00 0.00 C ATOM 1136 O SER A 100 7.844 3.585 4.425 1.00 0.00 O ATOM 1137 CB SER A 100 5.433 2.498 3.577 1.00 0.00 C ATOM 1138 OG SER A 100 6.371 1.436 3.592 1.00 0.00 O ATOM 0 H SER A 100 3.485 3.815 4.879 1.00 0.00 H new ATOM 0 HA SER A 100 5.247 2.602 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.430 2.105 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.650 3.173 2.750 1.00 0.00 H new ATOM 0 HG SER A 100 7.270 1.796 3.744 1.00 0.00 H new