USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0982 (180deg=0) USER MOD Single : A 2 SER OG : rot 15:sc= 0.502 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -165:sc= 0 (180deg=-0.314) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -145:sc= -0.235 (180deg=-1.35!) USER MOD Single : A 21 CYS SG : rot 29:sc= 0.782 USER MOD Single : A 27 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.28) USER MOD Single : A 32 GLN : amide:sc= -0.811 K(o=-0.81,f=-1.3!) USER MOD Single : A 33 CYS SG : rot -13:sc= 0.0343 USER MOD Single : A 34 SER OG : rot 170:sc= -0.396 USER MOD Single : A 38 THR OG1 : rot -23:sc= -0.562 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.93 K(o=-2.9,f=-1.5) USER MOD Single : A 50 GLN : amide:sc= -0.0528 X(o=-0.053,f=-0.039) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 36:sc= 0.0718 USER MOD Single : A 67 HIS : no HD1:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.67! K(o=-1.7!,f=-0.77) USER MOD Single : A 78 THR OG1 : rot -68:sc= 0.00236 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 123:sc= 1.41 USER MOD Single : A 85 ASN : amide:sc= -4.95! C(o=-4.9!,f=-23!) USER MOD Single : A 89 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.0035) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0047 USER MOD Single : A 99 HIS : no HE2:sc= -1.91! C(o=-1.9!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.494 -4.103 9.222 1.00 0.00 N ATOM 2 CA GLY A 1 36.408 -3.255 8.766 1.00 0.00 C ATOM 3 C GLY A 1 35.841 -3.706 7.434 1.00 0.00 C ATOM 4 O GLY A 1 36.337 -4.657 6.830 1.00 0.00 O ATOM 0 H1 GLY A 1 37.250 -4.512 10.146 1.00 0.00 H new ATOM 0 H2 GLY A 1 37.649 -4.868 8.535 1.00 0.00 H new ATOM 0 H3 GLY A 1 38.362 -3.537 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 1 35.614 -3.253 9.513 1.00 0.00 H new ATOM 0 HA3 GLY A 1 36.765 -2.229 8.677 1.00 0.00 H new ATOM 8 N SER A 2 34.798 -3.022 6.975 1.00 0.00 N ATOM 9 CA SER A 2 34.160 -3.360 5.708 1.00 0.00 C ATOM 10 C SER A 2 33.471 -2.140 5.104 1.00 0.00 C ATOM 11 O SER A 2 32.652 -1.491 5.754 1.00 0.00 O ATOM 12 CB SER A 2 33.144 -4.486 5.909 1.00 0.00 C ATOM 13 OG SER A 2 33.793 -5.732 6.093 1.00 0.00 O ATOM 0 H SER A 2 34.377 -2.231 7.461 1.00 0.00 H new ATOM 0 HA SER A 2 34.934 -3.697 5.018 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.520 -4.266 6.775 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.482 -4.541 5.045 1.00 0.00 H new ATOM 0 HG SER A 2 34.743 -5.581 6.282 1.00 0.00 H new ATOM 19 N SER A 3 33.810 -1.835 3.855 1.00 0.00 N ATOM 20 CA SER A 3 33.228 -0.691 3.163 1.00 0.00 C ATOM 21 C SER A 3 31.704 -0.778 3.156 1.00 0.00 C ATOM 22 O SER A 3 31.133 -1.847 2.946 1.00 0.00 O ATOM 23 CB SER A 3 33.752 -0.616 1.728 1.00 0.00 C ATOM 24 OG SER A 3 33.561 0.678 1.182 1.00 0.00 O ATOM 0 H SER A 3 34.484 -2.364 3.302 1.00 0.00 H new ATOM 0 HA SER A 3 33.521 0.213 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.812 -0.868 1.711 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.239 -1.354 1.111 1.00 0.00 H new ATOM 0 HG SER A 3 33.906 0.700 0.265 1.00 0.00 H new ATOM 30 N GLY A 4 31.052 0.357 3.389 1.00 0.00 N ATOM 31 CA GLY A 4 29.601 0.389 3.406 1.00 0.00 C ATOM 32 C GLY A 4 29.051 1.794 3.264 1.00 0.00 C ATOM 33 O GLY A 4 29.758 2.772 3.506 1.00 0.00 O ATOM 0 H GLY A 4 31.503 1.255 3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.217 -0.232 2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.242 -0.046 4.339 1.00 0.00 H new ATOM 37 N SER A 5 27.786 1.895 2.869 1.00 0.00 N ATOM 38 CA SER A 5 27.142 3.191 2.690 1.00 0.00 C ATOM 39 C SER A 5 25.795 3.233 3.406 1.00 0.00 C ATOM 40 O SER A 5 25.003 2.295 3.317 1.00 0.00 O ATOM 41 CB SER A 5 26.951 3.488 1.201 1.00 0.00 C ATOM 42 OG SER A 5 26.159 2.490 0.580 1.00 0.00 O ATOM 0 H SER A 5 27.187 1.095 2.667 1.00 0.00 H new ATOM 0 HA SER A 5 27.788 3.953 3.125 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.476 4.462 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.923 3.543 0.710 1.00 0.00 H new ATOM 0 HG SER A 5 26.050 2.703 -0.370 1.00 0.00 H new ATOM 48 N SER A 6 25.543 4.328 4.116 1.00 0.00 N ATOM 49 CA SER A 6 24.295 4.492 4.851 1.00 0.00 C ATOM 50 C SER A 6 23.132 4.748 3.896 1.00 0.00 C ATOM 51 O SER A 6 23.300 5.372 2.849 1.00 0.00 O ATOM 52 CB SER A 6 24.414 5.644 5.849 1.00 0.00 C ATOM 53 OG SER A 6 24.331 6.898 5.194 1.00 0.00 O ATOM 0 H SER A 6 26.187 5.115 4.198 1.00 0.00 H new ATOM 0 HA SER A 6 24.098 3.569 5.396 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.622 5.567 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.362 5.571 6.382 1.00 0.00 H new ATOM 0 HG SER A 6 24.408 7.618 5.855 1.00 0.00 H new ATOM 59 N GLY A 7 21.952 4.262 4.267 1.00 0.00 N ATOM 60 CA GLY A 7 20.778 4.448 3.434 1.00 0.00 C ATOM 61 C GLY A 7 20.573 3.307 2.457 1.00 0.00 C ATOM 62 O GLY A 7 20.541 3.517 1.245 1.00 0.00 O ATOM 0 H GLY A 7 21.788 3.743 5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.897 4.541 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.873 5.383 2.881 1.00 0.00 H new ATOM 66 N MET A 8 20.437 2.095 2.985 1.00 0.00 N ATOM 67 CA MET A 8 20.235 0.916 2.150 1.00 0.00 C ATOM 68 C MET A 8 18.749 0.638 1.954 1.00 0.00 C ATOM 69 O MET A 8 17.916 1.079 2.745 1.00 0.00 O ATOM 70 CB MET A 8 20.916 -0.302 2.777 1.00 0.00 C ATOM 71 CG MET A 8 20.412 -0.627 4.174 1.00 0.00 C ATOM 72 SD MET A 8 20.785 -2.320 4.670 1.00 0.00 S ATOM 73 CE MET A 8 19.135 -2.991 4.854 1.00 0.00 C ATOM 0 H MET A 8 20.463 1.903 3.986 1.00 0.00 H new ATOM 0 HA MET A 8 20.682 1.111 1.175 1.00 0.00 H new ATOM 0 HB2 MET A 8 20.760 -1.167 2.133 1.00 0.00 H new ATOM 0 HB3 MET A 8 21.991 -0.126 2.819 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.861 0.064 4.888 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.334 -0.470 4.213 1.00 0.00 H new ATOM 0 HE1 MET A 8 19.184 -3.930 5.405 1.00 0.00 H new ATOM 0 HE2 MET A 8 18.513 -2.282 5.400 1.00 0.00 H new ATOM 0 HE3 MET A 8 18.703 -3.170 3.869 1.00 0.00 H new ATOM 83 N GLU A 9 18.424 -0.097 0.894 1.00 0.00 N ATOM 84 CA GLU A 9 17.037 -0.433 0.595 1.00 0.00 C ATOM 85 C GLU A 9 16.430 -1.283 1.708 1.00 0.00 C ATOM 86 O GLU A 9 17.067 -1.532 2.731 1.00 0.00 O ATOM 87 CB GLU A 9 16.945 -1.178 -0.738 1.00 0.00 C ATOM 88 CG GLU A 9 16.971 -0.262 -1.951 1.00 0.00 C ATOM 89 CD GLU A 9 17.552 -0.935 -3.179 1.00 0.00 C ATOM 90 OE1 GLU A 9 16.844 -1.759 -3.794 1.00 0.00 O ATOM 91 OE2 GLU A 9 18.715 -0.639 -3.524 1.00 0.00 O ATOM 0 H GLU A 9 19.102 -0.470 0.229 1.00 0.00 H new ATOM 0 HA GLU A 9 16.473 0.497 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.773 -1.883 -0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.026 -1.763 -0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.957 0.073 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.557 0.627 -1.717 1.00 0.00 H new ATOM 98 N VAL A 10 15.194 -1.726 1.499 1.00 0.00 N ATOM 99 CA VAL A 10 14.501 -2.548 2.483 1.00 0.00 C ATOM 100 C VAL A 10 13.410 -3.387 1.827 1.00 0.00 C ATOM 101 O VAL A 10 12.949 -3.076 0.729 1.00 0.00 O ATOM 102 CB VAL A 10 13.872 -1.685 3.593 1.00 0.00 C ATOM 103 CG1 VAL A 10 14.851 -1.495 4.741 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.425 -0.343 3.035 1.00 0.00 C ATOM 0 H VAL A 10 14.653 -1.529 0.657 1.00 0.00 H new ATOM 0 HA VAL A 10 15.247 -3.208 2.926 1.00 0.00 H new ATOM 0 HB VAL A 10 12.994 -2.203 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.389 -0.883 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.117 -2.467 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.750 -0.999 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.983 0.254 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.285 0.184 2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.686 -0.503 2.250 1.00 0.00 H new ATOM 114 N ALA A 11 13.000 -4.452 2.508 1.00 0.00 N ATOM 115 CA ALA A 11 11.961 -5.335 1.993 1.00 0.00 C ATOM 116 C ALA A 11 10.571 -4.788 2.305 1.00 0.00 C ATOM 117 O ALA A 11 10.373 -4.040 3.262 1.00 0.00 O ATOM 118 CB ALA A 11 12.121 -6.733 2.572 1.00 0.00 C ATOM 0 H ALA A 11 13.372 -4.724 3.418 1.00 0.00 H new ATOM 0 HA ALA A 11 12.068 -5.388 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.338 -7.382 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.097 -7.132 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.043 -6.688 3.658 1.00 0.00 H new ATOM 124 N PRO A 12 9.586 -5.168 1.477 1.00 0.00 N ATOM 125 CA PRO A 12 8.198 -4.726 1.645 1.00 0.00 C ATOM 126 C PRO A 12 7.538 -5.343 2.873 1.00 0.00 C ATOM 127 O PRO A 12 7.827 -6.482 3.239 1.00 0.00 O ATOM 128 CB PRO A 12 7.514 -5.217 0.366 1.00 0.00 C ATOM 129 CG PRO A 12 8.336 -6.375 -0.083 1.00 0.00 C ATOM 130 CD PRO A 12 9.751 -6.058 0.316 1.00 0.00 C ATOM 0 HA PRO A 12 8.128 -3.649 1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.483 -5.514 0.558 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.485 -4.435 -0.392 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.996 -7.299 0.385 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.257 -6.515 -1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.307 -6.959 0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.296 -5.569 -0.491 1.00 0.00 H new ATOM 138 N SER A 13 6.649 -4.583 3.505 1.00 0.00 N ATOM 139 CA SER A 13 5.950 -5.054 4.695 1.00 0.00 C ATOM 140 C SER A 13 4.731 -4.185 4.989 1.00 0.00 C ATOM 141 O SER A 13 4.657 -3.034 4.557 1.00 0.00 O ATOM 142 CB SER A 13 6.892 -5.054 5.900 1.00 0.00 C ATOM 143 OG SER A 13 6.542 -6.072 6.821 1.00 0.00 O ATOM 0 H SER A 13 6.396 -3.639 3.213 1.00 0.00 H new ATOM 0 HA SER A 13 5.612 -6.073 4.507 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.918 -5.201 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.855 -4.083 6.395 1.00 0.00 H new ATOM 0 HG SER A 13 7.160 -6.052 7.581 1.00 0.00 H new ATOM 149 N PHE A 14 3.777 -4.744 5.726 1.00 0.00 N ATOM 150 CA PHE A 14 2.560 -4.021 6.077 1.00 0.00 C ATOM 151 C PHE A 14 2.505 -3.747 7.577 1.00 0.00 C ATOM 152 O PHE A 14 2.316 -4.661 8.380 1.00 0.00 O ATOM 153 CB PHE A 14 1.327 -4.817 5.647 1.00 0.00 C ATOM 154 CG PHE A 14 1.081 -4.788 4.165 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.587 -3.646 3.554 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.344 -5.901 3.384 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.360 -3.617 2.191 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.119 -5.877 2.020 1.00 0.00 C ATOM 159 CZ PHE A 14 0.627 -4.733 1.423 1.00 0.00 C ATOM 0 H PHE A 14 3.823 -5.695 6.092 1.00 0.00 H new ATOM 0 HA PHE A 14 2.569 -3.066 5.551 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.443 -5.852 5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.451 -4.420 6.160 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.377 -2.770 4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.729 -6.798 3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.026 -2.722 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.328 -6.752 1.422 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.451 -4.711 0.358 1.00 0.00 H new ATOM 169 N SER A 15 2.670 -2.481 7.948 1.00 0.00 N ATOM 170 CA SER A 15 2.644 -2.086 9.351 1.00 0.00 C ATOM 171 C SER A 15 1.224 -2.148 9.906 1.00 0.00 C ATOM 172 O SER A 15 1.008 -2.569 11.043 1.00 0.00 O ATOM 173 CB SER A 15 3.206 -0.673 9.516 1.00 0.00 C ATOM 174 OG SER A 15 4.568 -0.617 9.128 1.00 0.00 O ATOM 0 H SER A 15 2.823 -1.712 7.296 1.00 0.00 H new ATOM 0 HA SER A 15 3.266 -2.784 9.911 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.624 0.026 8.915 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.107 -0.358 10.555 1.00 0.00 H new ATOM 0 HG SER A 15 4.903 0.297 9.241 1.00 0.00 H new ATOM 180 N SER A 16 0.259 -1.726 9.095 1.00 0.00 N ATOM 181 CA SER A 16 -1.140 -1.729 9.505 1.00 0.00 C ATOM 182 C SER A 16 -2.026 -2.310 8.408 1.00 0.00 C ATOM 183 O SER A 16 -2.532 -1.583 7.553 1.00 0.00 O ATOM 184 CB SER A 16 -1.597 -0.310 9.847 1.00 0.00 C ATOM 185 OG SER A 16 -2.604 -0.324 10.844 1.00 0.00 O ATOM 0 H SER A 16 0.421 -1.378 8.150 1.00 0.00 H new ATOM 0 HA SER A 16 -1.231 -2.356 10.392 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.746 0.276 10.194 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.976 0.179 8.950 1.00 0.00 H new ATOM 0 HG SER A 16 -2.877 0.595 11.046 1.00 0.00 H new ATOM 191 N VAL A 17 -2.209 -3.626 8.438 1.00 0.00 N ATOM 192 CA VAL A 17 -3.035 -4.306 7.447 1.00 0.00 C ATOM 193 C VAL A 17 -4.444 -3.725 7.413 1.00 0.00 C ATOM 194 O VAL A 17 -4.873 -3.053 8.352 1.00 0.00 O ATOM 195 CB VAL A 17 -3.122 -5.818 7.731 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.755 -6.469 7.582 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.691 -6.067 9.120 1.00 0.00 C ATOM 0 H VAL A 17 -1.796 -4.243 9.138 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.558 -4.152 6.479 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.794 -6.269 7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.836 -7.537 7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.390 -6.321 6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.058 -6.017 8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.745 -7.140 9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.046 -5.603 9.866 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.690 -5.636 9.186 1.00 0.00 H new ATOM 207 N LEU A 18 -5.160 -3.988 6.326 1.00 0.00 N ATOM 208 CA LEU A 18 -6.523 -3.491 6.169 1.00 0.00 C ATOM 209 C LEU A 18 -7.465 -4.161 7.164 1.00 0.00 C ATOM 210 O LEU A 18 -7.245 -5.302 7.573 1.00 0.00 O ATOM 211 CB LEU A 18 -7.014 -3.735 4.741 1.00 0.00 C ATOM 212 CG LEU A 18 -6.334 -2.911 3.647 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.375 -3.651 2.319 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.992 -1.546 3.520 1.00 0.00 C ATOM 0 H LEU A 18 -4.820 -4.542 5.540 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.518 -2.419 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.881 -4.791 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.085 -3.534 4.707 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.291 -2.764 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.887 -3.050 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.856 -4.604 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.412 -3.830 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.495 -0.974 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.044 -1.672 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.909 -1.013 4.467 1.00 0.00 H new ATOM 226 N LYS A 19 -8.516 -3.446 7.550 1.00 0.00 N ATOM 227 CA LYS A 19 -9.495 -3.971 8.494 1.00 0.00 C ATOM 228 C LYS A 19 -10.901 -3.916 7.907 1.00 0.00 C ATOM 229 O LYS A 19 -11.145 -3.223 6.920 1.00 0.00 O ATOM 230 CB LYS A 19 -9.446 -3.179 9.803 1.00 0.00 C ATOM 231 CG LYS A 19 -8.056 -3.089 10.408 1.00 0.00 C ATOM 232 CD LYS A 19 -8.110 -2.700 11.876 1.00 0.00 C ATOM 233 CE LYS A 19 -8.300 -3.918 12.768 1.00 0.00 C ATOM 234 NZ LYS A 19 -9.740 -4.215 13.002 1.00 0.00 N ATOM 0 H LYS A 19 -8.712 -2.500 7.223 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.246 -5.013 8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.820 -2.171 9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.118 -3.644 10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.550 -4.049 10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.466 -2.356 9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.189 -2.186 12.152 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.928 -1.998 12.038 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.821 -4.783 12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.804 -3.749 13.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.867 -4.581 13.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.297 -3.345 12.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.063 -4.927 12.317 1.00 0.00 H new ATOM 248 N ASP A 20 -11.822 -4.650 8.521 1.00 0.00 N ATOM 249 CA ASP A 20 -13.206 -4.684 8.061 1.00 0.00 C ATOM 250 C ASP A 20 -13.811 -3.284 8.058 1.00 0.00 C ATOM 251 O ASP A 20 -13.414 -2.423 8.845 1.00 0.00 O ATOM 252 CB ASP A 20 -14.039 -5.611 8.947 1.00 0.00 C ATOM 253 CG ASP A 20 -15.198 -6.239 8.199 1.00 0.00 C ATOM 254 OD1 ASP A 20 -16.168 -5.514 7.893 1.00 0.00 O ATOM 255 OD2 ASP A 20 -15.137 -7.455 7.920 1.00 0.00 O ATOM 0 H ASP A 20 -11.636 -5.230 9.339 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.214 -5.067 7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.400 -6.398 9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.422 -5.048 9.798 1.00 0.00 H new ATOM 260 N CYS A 21 -14.772 -3.062 7.168 1.00 0.00 N ATOM 261 CA CYS A 21 -15.432 -1.765 7.062 1.00 0.00 C ATOM 262 C CYS A 21 -16.789 -1.900 6.379 1.00 0.00 C ATOM 263 O CYS A 21 -16.952 -2.691 5.450 1.00 0.00 O ATOM 264 CB CYS A 21 -14.552 -0.785 6.285 1.00 0.00 C ATOM 265 SG CYS A 21 -13.277 0.016 7.287 1.00 0.00 S ATOM 0 H CYS A 21 -15.112 -3.763 6.509 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.590 -1.381 8.070 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -14.072 -1.317 5.463 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -15.186 -0.017 5.841 1.00 0.00 H new ATOM 0 HG CYS A 21 -12.937 -0.769 8.265 1.00 0.00 H new ATOM 271 N ALA A 22 -17.760 -1.123 6.847 1.00 0.00 N ATOM 272 CA ALA A 22 -19.103 -1.155 6.281 1.00 0.00 C ATOM 273 C ALA A 22 -19.479 0.196 5.682 1.00 0.00 C ATOM 274 O ALA A 22 -19.056 1.243 6.172 1.00 0.00 O ATOM 275 CB ALA A 22 -20.114 -1.563 7.343 1.00 0.00 C ATOM 0 H ALA A 22 -17.642 -0.464 7.616 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.115 -1.894 5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -21.113 -1.583 6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.864 -2.554 7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.091 -0.845 8.163 1.00 0.00 H new ATOM 281 N VAL A 23 -20.276 0.166 4.618 1.00 0.00 N ATOM 282 CA VAL A 23 -20.709 1.388 3.952 1.00 0.00 C ATOM 283 C VAL A 23 -22.103 1.225 3.357 1.00 0.00 C ATOM 284 O VAL A 23 -22.550 0.109 3.093 1.00 0.00 O ATOM 285 CB VAL A 23 -19.730 1.795 2.834 1.00 0.00 C ATOM 286 CG1 VAL A 23 -20.044 1.044 1.550 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.777 3.298 2.607 1.00 0.00 C ATOM 0 H VAL A 23 -20.635 -0.692 4.199 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.730 2.171 4.710 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.720 1.529 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.342 1.344 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.955 -0.028 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -21.060 1.277 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.080 3.568 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.786 3.591 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.499 3.814 3.526 1.00 0.00 H new ATOM 297 N ILE A 24 -22.786 2.346 3.149 1.00 0.00 N ATOM 298 CA ILE A 24 -24.129 2.328 2.584 1.00 0.00 C ATOM 299 C ILE A 24 -24.087 2.432 1.063 1.00 0.00 C ATOM 300 O ILE A 24 -23.265 3.156 0.503 1.00 0.00 O ATOM 301 CB ILE A 24 -24.991 3.476 3.142 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.020 3.423 4.671 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.401 3.403 2.576 1.00 0.00 C ATOM 304 CD1 ILE A 24 -26.036 4.359 5.288 1.00 0.00 C ATOM 0 H ILE A 24 -22.431 3.278 3.363 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.578 1.376 2.869 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.548 4.425 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -25.238 2.403 4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -24.030 3.670 5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.998 4.221 2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.362 3.484 1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.855 2.451 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -26.002 4.269 6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -25.806 5.385 5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -27.033 4.098 4.934 1.00 0.00 H new ATOM 316 N GLU A 25 -24.981 1.704 0.400 1.00 0.00 N ATOM 317 CA GLU A 25 -25.046 1.716 -1.056 1.00 0.00 C ATOM 318 C GLU A 25 -25.163 3.143 -1.584 1.00 0.00 C ATOM 319 O GLU A 25 -26.121 3.852 -1.282 1.00 0.00 O ATOM 320 CB GLU A 25 -26.233 0.882 -1.543 1.00 0.00 C ATOM 321 CG GLU A 25 -26.180 0.555 -3.025 1.00 0.00 C ATOM 322 CD GLU A 25 -27.302 -0.369 -3.459 1.00 0.00 C ATOM 323 OE1 GLU A 25 -27.444 -1.454 -2.858 1.00 0.00 O ATOM 324 OE2 GLU A 25 -28.038 -0.006 -4.401 1.00 0.00 O ATOM 0 H GLU A 25 -25.669 1.099 0.848 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.123 1.280 -1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.270 -0.048 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.156 1.421 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.233 1.480 -3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -25.222 0.090 -3.257 1.00 0.00 H new ATOM 331 N GLY A 26 -24.178 3.557 -2.375 1.00 0.00 N ATOM 332 CA GLY A 26 -24.187 4.898 -2.933 1.00 0.00 C ATOM 333 C GLY A 26 -23.209 5.822 -2.236 1.00 0.00 C ATOM 334 O GLY A 26 -22.959 6.934 -2.700 1.00 0.00 O ATOM 0 H GLY A 26 -23.374 2.988 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -23.942 4.848 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.192 5.313 -2.857 1.00 0.00 H new ATOM 338 N GLN A 27 -22.654 5.361 -1.119 1.00 0.00 N ATOM 339 CA GLN A 27 -21.699 6.157 -0.357 1.00 0.00 C ATOM 340 C GLN A 27 -20.275 5.912 -0.845 1.00 0.00 C ATOM 341 O GLN A 27 -20.026 4.999 -1.633 1.00 0.00 O ATOM 342 CB GLN A 27 -21.804 5.828 1.133 1.00 0.00 C ATOM 343 CG GLN A 27 -22.959 6.530 1.831 1.00 0.00 C ATOM 344 CD GLN A 27 -22.918 8.035 1.657 1.00 0.00 C ATOM 345 OE1 GLN A 27 -22.225 8.738 2.392 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.662 8.539 0.679 1.00 0.00 N ATOM 0 H GLN A 27 -22.849 4.442 -0.722 1.00 0.00 H new ATOM 0 HA GLN A 27 -21.939 7.210 -0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.919 4.751 1.252 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.871 6.105 1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.902 6.148 1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.936 6.290 2.894 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -24.222 7.920 0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.674 9.545 0.514 1.00 0.00 H new ATOM 355 N ASP A 28 -19.343 6.732 -0.371 1.00 0.00 N ATOM 356 CA ASP A 28 -17.943 6.604 -0.758 1.00 0.00 C ATOM 357 C ASP A 28 -17.109 6.056 0.395 1.00 0.00 C ATOM 358 O ASP A 28 -17.357 6.371 1.559 1.00 0.00 O ATOM 359 CB ASP A 28 -17.390 7.958 -1.206 1.00 0.00 C ATOM 360 CG ASP A 28 -17.592 9.040 -0.163 1.00 0.00 C ATOM 361 OD1 ASP A 28 -17.070 8.884 0.961 1.00 0.00 O ATOM 362 OD2 ASP A 28 -18.272 10.041 -0.470 1.00 0.00 O ATOM 0 H ASP A 28 -19.532 7.492 0.282 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.884 5.903 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.326 7.859 -1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.877 8.257 -2.134 1.00 0.00 H new ATOM 367 N PHE A 29 -16.119 5.233 0.063 1.00 0.00 N ATOM 368 CA PHE A 29 -15.249 4.639 1.071 1.00 0.00 C ATOM 369 C PHE A 29 -13.854 4.389 0.506 1.00 0.00 C ATOM 370 O PHE A 29 -13.699 3.762 -0.542 1.00 0.00 O ATOM 371 CB PHE A 29 -15.847 3.326 1.582 1.00 0.00 C ATOM 372 CG PHE A 29 -15.659 2.174 0.637 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.456 1.490 0.588 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.687 1.776 -0.203 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.280 0.430 -0.281 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.517 0.716 -1.074 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.313 0.042 -1.113 1.00 0.00 C ATOM 0 H PHE A 29 -15.900 4.963 -0.896 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.166 5.340 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.392 3.077 2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.913 3.467 1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.646 1.788 1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.631 2.300 -0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.336 -0.095 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.326 0.415 -1.724 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.179 -0.787 -1.792 1.00 0.00 H new ATOM 387 N VAL A 30 -12.840 4.886 1.208 1.00 0.00 N ATOM 388 CA VAL A 30 -11.457 4.717 0.778 1.00 0.00 C ATOM 389 C VAL A 30 -10.684 3.830 1.748 1.00 0.00 C ATOM 390 O VAL A 30 -10.617 4.110 2.945 1.00 0.00 O ATOM 391 CB VAL A 30 -10.737 6.074 0.657 1.00 0.00 C ATOM 392 CG1 VAL A 30 -10.964 6.912 1.905 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.251 5.867 0.406 1.00 0.00 C ATOM 0 H VAL A 30 -12.951 5.409 2.077 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.487 4.240 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.154 6.613 -0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.448 7.867 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.032 7.089 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.575 6.382 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.758 6.835 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.816 5.308 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.113 5.309 -0.520 1.00 0.00 H new ATOM 403 N LEU A 31 -10.102 2.757 1.223 1.00 0.00 N ATOM 404 CA LEU A 31 -9.332 1.827 2.042 1.00 0.00 C ATOM 405 C LEU A 31 -7.910 2.336 2.253 1.00 0.00 C ATOM 406 O LEU A 31 -7.099 2.338 1.327 1.00 0.00 O ATOM 407 CB LEU A 31 -9.300 0.445 1.385 1.00 0.00 C ATOM 408 CG LEU A 31 -10.659 -0.201 1.116 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.552 -1.218 -0.010 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.198 -0.857 2.379 1.00 0.00 C ATOM 0 H LEU A 31 -10.149 2.510 0.235 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.818 1.749 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.765 0.527 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.721 -0.225 2.021 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.356 0.579 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.529 -1.668 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.211 -0.721 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.840 -1.995 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.166 -1.312 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.502 -1.625 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.313 -0.105 3.159 1.00 0.00 H new ATOM 422 N GLN A 32 -7.615 2.763 3.476 1.00 0.00 N ATOM 423 CA GLN A 32 -6.290 3.272 3.808 1.00 0.00 C ATOM 424 C GLN A 32 -5.527 2.278 4.678 1.00 0.00 C ATOM 425 O GLN A 32 -6.077 1.721 5.629 1.00 0.00 O ATOM 426 CB GLN A 32 -6.402 4.617 4.529 1.00 0.00 C ATOM 427 CG GLN A 32 -5.058 5.234 4.879 1.00 0.00 C ATOM 428 CD GLN A 32 -5.156 6.247 6.003 1.00 0.00 C ATOM 429 OE1 GLN A 32 -5.997 6.123 6.894 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.295 7.257 5.966 1.00 0.00 N ATOM 0 H GLN A 32 -8.275 2.767 4.253 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.739 3.411 2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.958 5.312 3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.980 4.482 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.364 4.444 5.166 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.643 5.717 3.995 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.615 7.320 5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.314 7.970 6.695 1.00 0.00 H new ATOM 439 N CYS A 33 -4.259 2.060 4.346 1.00 0.00 N ATOM 440 CA CYS A 33 -3.421 1.132 5.097 1.00 0.00 C ATOM 441 C CYS A 33 -1.988 1.646 5.187 1.00 0.00 C ATOM 442 O CYS A 33 -1.670 2.723 4.683 1.00 0.00 O ATOM 443 CB CYS A 33 -3.440 -0.249 4.441 1.00 0.00 C ATOM 444 SG CYS A 33 -3.223 -0.217 2.646 1.00 0.00 S ATOM 0 H CYS A 33 -3.789 2.513 3.562 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.823 1.052 6.107 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.651 -0.859 4.881 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.387 -0.737 4.673 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.368 1.000 2.213 1.00 0.00 H new ATOM 450 N SER A 34 -1.126 0.868 5.835 1.00 0.00 N ATOM 451 CA SER A 34 0.273 1.247 5.997 1.00 0.00 C ATOM 452 C SER A 34 1.196 0.160 5.456 1.00 0.00 C ATOM 453 O SER A 34 1.074 -1.011 5.817 1.00 0.00 O ATOM 454 CB SER A 34 0.585 1.509 7.472 1.00 0.00 C ATOM 455 OG SER A 34 1.938 1.890 7.647 1.00 0.00 O ATOM 0 H SER A 34 -1.372 -0.028 6.256 1.00 0.00 H new ATOM 0 HA SER A 34 0.444 2.161 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.069 2.294 7.851 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.378 0.612 8.056 1.00 0.00 H new ATOM 0 HG SER A 34 2.073 2.206 8.565 1.00 0.00 H new ATOM 461 N VAL A 35 2.121 0.556 4.587 1.00 0.00 N ATOM 462 CA VAL A 35 3.067 -0.383 3.996 1.00 0.00 C ATOM 463 C VAL A 35 4.439 0.257 3.820 1.00 0.00 C ATOM 464 O VAL A 35 4.558 1.355 3.275 1.00 0.00 O ATOM 465 CB VAL A 35 2.571 -0.893 2.630 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.473 0.254 1.635 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.489 -1.987 2.105 1.00 0.00 C ATOM 0 H VAL A 35 2.235 1.521 4.277 1.00 0.00 H new ATOM 0 HA VAL A 35 3.148 -1.226 4.683 1.00 0.00 H new ATOM 0 HB VAL A 35 1.575 -1.316 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.121 -0.126 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.773 1.001 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.455 0.709 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.124 -2.336 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.498 -1.591 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.504 -2.819 2.809 1.00 0.00 H new ATOM 477 N ARG A 36 5.474 -0.436 4.284 1.00 0.00 N ATOM 478 CA ARG A 36 6.839 0.064 4.178 1.00 0.00 C ATOM 479 C ARG A 36 7.643 -0.756 3.174 1.00 0.00 C ATOM 480 O ARG A 36 7.213 -1.827 2.746 1.00 0.00 O ATOM 481 CB ARG A 36 7.524 0.030 5.545 1.00 0.00 C ATOM 482 CG ARG A 36 6.747 0.752 6.634 1.00 0.00 C ATOM 483 CD ARG A 36 7.626 1.053 7.839 1.00 0.00 C ATOM 484 NE ARG A 36 8.800 1.842 7.477 1.00 0.00 N ATOM 485 CZ ARG A 36 9.913 1.878 8.200 1.00 0.00 C ATOM 486 NH1 ARG A 36 10.003 1.173 9.319 1.00 0.00 N ATOM 487 NH2 ARG A 36 10.939 2.621 7.805 1.00 0.00 N ATOM 0 H ARG A 36 5.393 -1.346 4.737 1.00 0.00 H new ATOM 0 HA ARG A 36 6.795 1.095 3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.671 -1.008 5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.513 0.479 5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.341 1.682 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.899 0.141 6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.044 1.592 8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.946 0.117 8.297 1.00 0.00 H new ATOM 0 HE ARG A 36 8.763 2.396 6.621 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.216 0.601 9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.859 1.202 9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.873 3.165 6.945 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.793 2.648 8.361 1.00 0.00 H new ATOM 501 N GLY A 37 8.812 -0.244 2.800 1.00 0.00 N ATOM 502 CA GLY A 37 9.657 -0.942 1.848 1.00 0.00 C ATOM 503 C GLY A 37 10.505 0.005 1.023 1.00 0.00 C ATOM 504 O GLY A 37 10.275 1.215 1.020 1.00 0.00 O ATOM 0 H GLY A 37 9.189 0.641 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.307 -1.634 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.033 -1.539 1.183 1.00 0.00 H new ATOM 508 N THR A 38 11.490 -0.545 0.320 1.00 0.00 N ATOM 509 CA THR A 38 12.378 0.259 -0.511 1.00 0.00 C ATOM 510 C THR A 38 13.102 -0.604 -1.537 1.00 0.00 C ATOM 511 O THR A 38 13.786 -1.571 -1.198 1.00 0.00 O ATOM 512 CB THR A 38 13.420 1.008 0.341 1.00 0.00 C ATOM 513 OG1 THR A 38 12.764 1.757 1.371 1.00 0.00 O ATOM 514 CG2 THR A 38 14.253 1.944 -0.521 1.00 0.00 C ATOM 0 H THR A 38 11.693 -1.545 0.310 1.00 0.00 H new ATOM 0 HA THR A 38 11.753 0.986 -1.029 1.00 0.00 H new ATOM 0 HB THR A 38 14.083 0.271 0.794 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.837 1.933 1.107 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.982 2.462 0.103 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.774 1.367 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.601 2.675 -1.000 1.00 0.00 H new ATOM 522 N PRO A 39 12.952 -0.250 -2.821 1.00 0.00 N ATOM 523 CA PRO A 39 12.140 0.898 -3.236 1.00 0.00 C ATOM 524 C PRO A 39 10.649 0.660 -3.025 1.00 0.00 C ATOM 525 O PRO A 39 10.227 -0.450 -2.701 1.00 0.00 O ATOM 526 CB PRO A 39 12.454 1.034 -4.728 1.00 0.00 C ATOM 527 CG PRO A 39 12.868 -0.332 -5.154 1.00 0.00 C ATOM 528 CD PRO A 39 13.562 -0.943 -3.968 1.00 0.00 C ATOM 0 HA PRO A 39 12.370 1.791 -2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.582 1.376 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.248 1.760 -4.901 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.004 -0.927 -5.450 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.534 -0.287 -6.016 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.401 -2.020 -3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.640 -0.784 -4.007 1.00 0.00 H new ATOM 536 N VAL A 40 9.854 1.709 -3.212 1.00 0.00 N ATOM 537 CA VAL A 40 8.409 1.614 -3.044 1.00 0.00 C ATOM 538 C VAL A 40 7.843 0.429 -3.819 1.00 0.00 C ATOM 539 O VAL A 40 8.006 0.315 -5.034 1.00 0.00 O ATOM 540 CB VAL A 40 7.703 2.901 -3.508 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.193 2.740 -3.433 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.163 4.090 -2.678 1.00 0.00 C ATOM 0 H VAL A 40 10.187 2.635 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 40 8.223 1.471 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 40 7.972 3.087 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.712 3.660 -3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.883 1.916 -4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.900 2.528 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.654 4.991 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.926 3.915 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.240 4.217 -2.790 1.00 0.00 H new ATOM 552 N PRO A 41 7.160 -0.476 -3.101 1.00 0.00 N ATOM 553 CA PRO A 41 6.555 -1.668 -3.701 1.00 0.00 C ATOM 554 C PRO A 41 5.363 -1.329 -4.589 1.00 0.00 C ATOM 555 O PRO A 41 4.665 -0.341 -4.357 1.00 0.00 O ATOM 556 CB PRO A 41 6.102 -2.484 -2.488 1.00 0.00 C ATOM 557 CG PRO A 41 5.904 -1.479 -1.407 1.00 0.00 C ATOM 558 CD PRO A 41 6.927 -0.403 -1.649 1.00 0.00 C ATOM 0 HA PRO A 41 7.253 -2.196 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.180 -3.026 -2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.851 -3.225 -2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.894 -1.070 -1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.038 -1.931 -0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.557 0.578 -1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.842 -0.584 -1.085 1.00 0.00 H new ATOM 566 N ARG A 42 5.135 -2.153 -5.606 1.00 0.00 N ATOM 567 CA ARG A 42 4.027 -1.939 -6.530 1.00 0.00 C ATOM 568 C ARG A 42 2.687 -2.137 -5.827 1.00 0.00 C ATOM 569 O ARG A 42 2.452 -3.169 -5.197 1.00 0.00 O ATOM 570 CB ARG A 42 4.136 -2.894 -7.720 1.00 0.00 C ATOM 571 CG ARG A 42 4.988 -2.354 -8.857 1.00 0.00 C ATOM 572 CD ARG A 42 6.457 -2.289 -8.469 1.00 0.00 C ATOM 573 NE ARG A 42 7.016 -3.615 -8.217 1.00 0.00 N ATOM 574 CZ ARG A 42 8.314 -3.847 -8.058 1.00 0.00 C ATOM 575 NH1 ARG A 42 9.183 -2.847 -8.124 1.00 0.00 N ATOM 576 NH2 ARG A 42 8.746 -5.081 -7.831 1.00 0.00 N ATOM 0 H ARG A 42 5.703 -2.975 -5.811 1.00 0.00 H new ATOM 0 HA ARG A 42 4.081 -0.912 -6.891 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.557 -3.840 -7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.136 -3.108 -8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.870 -2.989 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.639 -1.359 -9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.021 -1.803 -9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.569 -1.673 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 42 6.374 -4.406 -8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.855 -1.897 -8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.179 -3.028 -8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.081 -5.853 -7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.743 -5.258 -7.709 1.00 0.00 H new ATOM 590 N ILE A 43 1.814 -1.141 -5.938 1.00 0.00 N ATOM 591 CA ILE A 43 0.498 -1.206 -5.314 1.00 0.00 C ATOM 592 C ILE A 43 -0.576 -1.574 -6.332 1.00 0.00 C ATOM 593 O ILE A 43 -0.895 -0.790 -7.226 1.00 0.00 O ATOM 594 CB ILE A 43 0.124 0.132 -4.650 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.266 0.620 -3.756 1.00 0.00 C ATOM 596 CG2 ILE A 43 -1.159 -0.017 -3.846 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.668 -0.376 -2.692 1.00 0.00 C ATOM 0 H ILE A 43 1.994 -0.280 -6.454 1.00 0.00 H new ATOM 0 HA ILE A 43 0.549 -1.980 -4.549 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.043 0.874 -5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.133 0.845 -4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.968 1.552 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.411 0.937 -3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.969 -0.324 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.017 -0.771 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.482 0.037 -2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.815 -0.583 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.997 -1.301 -3.165 1.00 0.00 H new ATOM 609 N THR A 44 -1.132 -2.773 -6.190 1.00 0.00 N ATOM 610 CA THR A 44 -2.171 -3.246 -7.096 1.00 0.00 C ATOM 611 C THR A 44 -3.332 -3.865 -6.326 1.00 0.00 C ATOM 612 O THR A 44 -3.165 -4.870 -5.635 1.00 0.00 O ATOM 613 CB THR A 44 -1.618 -4.283 -8.092 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.602 -3.688 -8.906 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.729 -4.829 -8.976 1.00 0.00 C ATOM 0 H THR A 44 -0.880 -3.434 -5.456 1.00 0.00 H new ATOM 0 HA THR A 44 -2.528 -2.377 -7.649 1.00 0.00 H new ATOM 0 HB THR A 44 -1.189 -5.108 -7.523 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.255 -4.354 -9.535 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.315 -5.559 -9.671 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.486 -5.308 -8.355 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.183 -4.012 -9.536 1.00 0.00 H new ATOM 623 N TRP A 45 -4.507 -3.260 -6.451 1.00 0.00 N ATOM 624 CA TRP A 45 -5.697 -3.754 -5.767 1.00 0.00 C ATOM 625 C TRP A 45 -6.504 -4.676 -6.674 1.00 0.00 C ATOM 626 O TRP A 45 -6.616 -4.437 -7.877 1.00 0.00 O ATOM 627 CB TRP A 45 -6.567 -2.584 -5.305 1.00 0.00 C ATOM 628 CG TRP A 45 -5.857 -1.645 -4.378 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.882 -0.748 -4.708 1.00 0.00 C ATOM 630 CD2 TRP A 45 -6.065 -1.512 -2.967 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.471 -0.066 -3.588 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.182 -0.515 -2.508 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.913 -2.137 -2.049 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.124 -0.132 -1.171 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.854 -1.756 -0.722 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.965 -0.760 -0.293 1.00 0.00 C ATOM 0 H TRP A 45 -4.662 -2.427 -7.019 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.374 -4.324 -4.896 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.911 -2.030 -6.178 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.454 -2.975 -4.806 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.491 -0.597 -5.703 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.752 0.658 -3.565 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.602 -2.904 -2.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.439 0.634 -0.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.504 -2.233 -0.003 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.944 -0.483 0.751 1.00 0.00 H new ATOM 647 N LEU A 46 -7.064 -5.731 -6.091 1.00 0.00 N ATOM 648 CA LEU A 46 -7.861 -6.690 -6.848 1.00 0.00 C ATOM 649 C LEU A 46 -9.107 -7.097 -6.069 1.00 0.00 C ATOM 650 O LEU A 46 -9.091 -7.157 -4.838 1.00 0.00 O ATOM 651 CB LEU A 46 -7.026 -7.927 -7.180 1.00 0.00 C ATOM 652 CG LEU A 46 -5.539 -7.684 -7.440 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.754 -7.740 -6.140 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.999 -8.700 -8.436 1.00 0.00 C ATOM 0 H LEU A 46 -6.981 -5.944 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.175 -6.212 -7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.119 -8.635 -6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.455 -8.404 -8.061 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.422 -6.688 -7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.698 -7.565 -6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.123 -6.974 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.877 -8.722 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.939 -8.512 -8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.129 -9.706 -8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.542 -8.611 -9.377 1.00 0.00 H new ATOM 666 N LEU A 47 -10.186 -7.378 -6.792 1.00 0.00 N ATOM 667 CA LEU A 47 -11.441 -7.782 -6.169 1.00 0.00 C ATOM 668 C LEU A 47 -11.562 -9.302 -6.124 1.00 0.00 C ATOM 669 O LEU A 47 -12.097 -9.919 -7.044 1.00 0.00 O ATOM 670 CB LEU A 47 -12.627 -7.187 -6.931 1.00 0.00 C ATOM 671 CG LEU A 47 -13.988 -7.290 -6.242 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.906 -6.763 -4.818 1.00 0.00 C ATOM 673 CD2 LEU A 47 -15.045 -6.534 -7.033 1.00 0.00 C ATOM 0 H LEU A 47 -10.216 -7.333 -7.811 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.448 -7.405 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.418 -6.135 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.695 -7.681 -7.900 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.276 -8.341 -6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.884 -6.844 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.179 -7.348 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.596 -5.718 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.007 -6.618 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.764 -5.483 -7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -15.123 -6.958 -8.034 1.00 0.00 H new ATOM 685 N ASN A 48 -11.063 -9.899 -5.046 1.00 0.00 N ATOM 686 CA ASN A 48 -11.116 -11.347 -4.881 1.00 0.00 C ATOM 687 C ASN A 48 -10.967 -12.054 -6.224 1.00 0.00 C ATOM 688 O ASN A 48 -11.692 -13.002 -6.523 1.00 0.00 O ATOM 689 CB ASN A 48 -12.434 -11.757 -4.220 1.00 0.00 C ATOM 690 CG ASN A 48 -13.642 -11.370 -5.050 1.00 0.00 C ATOM 691 OD1 ASN A 48 -14.069 -12.118 -5.930 1.00 0.00 O ATOM 692 ND2 ASN A 48 -14.199 -10.197 -4.774 1.00 0.00 N ATOM 0 H ASN A 48 -10.618 -9.402 -4.274 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.286 -11.645 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.437 -12.835 -4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.506 -11.289 -3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.015 -9.883 -5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.811 -9.609 -4.036 1.00 0.00 H new ATOM 699 N GLY A 49 -10.019 -11.586 -7.031 1.00 0.00 N ATOM 700 CA GLY A 49 -9.791 -12.185 -8.333 1.00 0.00 C ATOM 701 C GLY A 49 -8.833 -11.375 -9.184 1.00 0.00 C ATOM 702 O GLY A 49 -7.621 -11.414 -8.972 1.00 0.00 O ATOM 0 H GLY A 49 -9.405 -10.803 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.394 -13.191 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.742 -12.283 -8.856 1.00 0.00 H new ATOM 706 N GLN A 50 -9.377 -10.642 -10.150 1.00 0.00 N ATOM 707 CA GLN A 50 -8.561 -9.822 -11.037 1.00 0.00 C ATOM 708 C GLN A 50 -8.366 -8.424 -10.460 1.00 0.00 C ATOM 709 O GLN A 50 -9.159 -7.944 -9.649 1.00 0.00 O ATOM 710 CB GLN A 50 -9.208 -9.730 -12.420 1.00 0.00 C ATOM 711 CG GLN A 50 -9.032 -10.987 -13.258 1.00 0.00 C ATOM 712 CD GLN A 50 -7.682 -11.047 -13.944 1.00 0.00 C ATOM 713 OE1 GLN A 50 -7.519 -10.560 -15.064 1.00 0.00 O ATOM 714 NE2 GLN A 50 -6.704 -11.646 -13.275 1.00 0.00 N ATOM 0 H GLN A 50 -10.379 -10.599 -10.338 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.584 -10.296 -11.132 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.273 -9.528 -12.301 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.781 -8.883 -12.956 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.151 -11.863 -12.621 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.820 -11.031 -14.010 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.883 -12.036 -12.350 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.773 -11.717 -13.686 1.00 0.00 H new ATOM 723 N PRO A 51 -7.286 -7.752 -10.887 1.00 0.00 N ATOM 724 CA PRO A 51 -6.963 -6.399 -10.426 1.00 0.00 C ATOM 725 C PRO A 51 -7.941 -5.356 -10.955 1.00 0.00 C ATOM 726 O PRO A 51 -8.511 -5.518 -12.034 1.00 0.00 O ATOM 727 CB PRO A 51 -5.563 -6.155 -10.995 1.00 0.00 C ATOM 728 CG PRO A 51 -5.478 -7.046 -12.186 1.00 0.00 C ATOM 729 CD PRO A 51 -6.299 -8.261 -11.853 1.00 0.00 C ATOM 0 HA PRO A 51 -7.018 -6.315 -9.341 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.425 -5.110 -11.272 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.791 -6.396 -10.264 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -5.863 -6.547 -13.075 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.444 -7.319 -12.396 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.781 -8.676 -12.739 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.687 -9.054 -11.422 1.00 0.00 H new ATOM 737 N ILE A 52 -8.131 -4.287 -10.189 1.00 0.00 N ATOM 738 CA ILE A 52 -9.040 -3.218 -10.582 1.00 0.00 C ATOM 739 C ILE A 52 -8.422 -2.342 -11.666 1.00 0.00 C ATOM 740 O ILE A 52 -7.205 -2.167 -11.717 1.00 0.00 O ATOM 741 CB ILE A 52 -9.424 -2.334 -9.381 1.00 0.00 C ATOM 742 CG1 ILE A 52 -10.151 -3.164 -8.321 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.290 -1.169 -9.835 1.00 0.00 C ATOM 744 CD1 ILE A 52 -10.308 -2.450 -6.997 1.00 0.00 C ATOM 0 H ILE A 52 -7.667 -4.138 -9.293 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.938 -3.696 -10.972 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.512 -1.932 -8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -11.137 -3.435 -8.697 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.604 -4.093 -8.161 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.553 -0.554 -8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.739 -0.566 -10.557 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.199 -1.551 -10.299 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.832 -3.098 -6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.324 -2.202 -6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.881 -1.534 -7.143 1.00 0.00 H new ATOM 756 N GLN A 53 -9.269 -1.792 -12.530 1.00 0.00 N ATOM 757 CA GLN A 53 -8.805 -0.933 -13.613 1.00 0.00 C ATOM 758 C GLN A 53 -9.205 0.518 -13.366 1.00 0.00 C ATOM 759 O GLN A 53 -8.535 1.444 -13.823 1.00 0.00 O ATOM 760 CB GLN A 53 -9.374 -1.410 -14.951 1.00 0.00 C ATOM 761 CG GLN A 53 -9.165 -2.894 -15.206 1.00 0.00 C ATOM 762 CD GLN A 53 -9.483 -3.291 -16.634 1.00 0.00 C ATOM 763 OE1 GLN A 53 -8.712 -3.017 -17.553 1.00 0.00 O ATOM 764 NE2 GLN A 53 -10.625 -3.940 -16.827 1.00 0.00 N ATOM 0 H GLN A 53 -10.280 -1.926 -12.501 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.717 -0.991 -13.648 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.441 -1.191 -14.981 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.909 -0.842 -15.757 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.131 -3.155 -14.982 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.793 -3.468 -14.525 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.234 -4.146 -16.035 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.893 -4.232 -17.767 1.00 0.00 H new ATOM 773 N TYR A 54 -10.301 0.709 -12.640 1.00 0.00 N ATOM 774 CA TYR A 54 -10.792 2.048 -12.334 1.00 0.00 C ATOM 775 C TYR A 54 -10.459 2.435 -10.896 1.00 0.00 C ATOM 776 O TYR A 54 -11.237 3.116 -10.229 1.00 0.00 O ATOM 777 CB TYR A 54 -12.303 2.123 -12.558 1.00 0.00 C ATOM 778 CG TYR A 54 -13.041 0.874 -12.130 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.513 0.733 -10.831 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.266 -0.164 -13.025 1.00 0.00 C ATOM 781 CE1 TYR A 54 -14.188 -0.406 -10.436 1.00 0.00 C ATOM 782 CE2 TYR A 54 -13.941 -1.306 -12.640 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.399 -1.423 -11.344 1.00 0.00 C ATOM 784 OH TYR A 54 -15.071 -2.559 -10.955 1.00 0.00 O ATOM 0 H TYR A 54 -10.866 -0.046 -12.252 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.297 2.751 -13.004 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.701 2.976 -12.009 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.497 2.305 -13.615 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -13.350 1.527 -10.118 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -12.907 -0.077 -14.040 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.548 -0.500 -9.422 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.109 -2.103 -13.349 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.136 -3.176 -11.713 1.00 0.00 H new ATOM 794 N ALA A 55 -9.297 1.994 -10.426 1.00 0.00 N ATOM 795 CA ALA A 55 -8.859 2.296 -9.069 1.00 0.00 C ATOM 796 C ALA A 55 -7.846 3.436 -9.060 1.00 0.00 C ATOM 797 O ALA A 55 -6.737 3.298 -9.577 1.00 0.00 O ATOM 798 CB ALA A 55 -8.266 1.055 -8.418 1.00 0.00 C ATOM 0 H ALA A 55 -8.642 1.427 -10.965 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.729 2.614 -8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.943 1.295 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.019 0.268 -8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.411 0.712 -9.000 1.00 0.00 H new ATOM 804 N ARG A 56 -8.234 4.561 -8.470 1.00 0.00 N ATOM 805 CA ARG A 56 -7.360 5.726 -8.395 1.00 0.00 C ATOM 806 C ARG A 56 -6.533 5.704 -7.114 1.00 0.00 C ATOM 807 O ARG A 56 -6.420 6.713 -6.418 1.00 0.00 O ATOM 808 CB ARG A 56 -8.184 7.013 -8.461 1.00 0.00 C ATOM 809 CG ARG A 56 -8.732 7.316 -9.846 1.00 0.00 C ATOM 810 CD ARG A 56 -9.679 8.506 -9.822 1.00 0.00 C ATOM 811 NE ARG A 56 -9.037 9.707 -9.296 1.00 0.00 N ATOM 812 CZ ARG A 56 -9.703 10.795 -8.926 1.00 0.00 C ATOM 813 NH1 ARG A 56 -11.025 10.832 -9.025 1.00 0.00 N ATOM 814 NH2 ARG A 56 -9.048 11.849 -8.456 1.00 0.00 N ATOM 0 H ARG A 56 -9.148 4.691 -8.037 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.680 5.694 -9.246 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.015 6.939 -7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.564 7.848 -8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.907 7.520 -10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.255 6.441 -10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.041 8.701 -10.831 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.550 8.264 -9.212 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.021 9.711 -9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.532 10.024 -9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.535 11.668 -8.740 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.031 11.825 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.561 12.684 -8.172 1.00 0.00 H new ATOM 828 N SER A 57 -5.956 4.546 -6.808 1.00 0.00 N ATOM 829 CA SER A 57 -5.142 4.391 -5.608 1.00 0.00 C ATOM 830 C SER A 57 -4.083 5.485 -5.525 1.00 0.00 C ATOM 831 O SER A 57 -3.639 6.016 -6.544 1.00 0.00 O ATOM 832 CB SER A 57 -4.472 3.015 -5.595 1.00 0.00 C ATOM 833 OG SER A 57 -3.501 2.911 -6.622 1.00 0.00 O ATOM 0 H SER A 57 -6.037 3.702 -7.374 1.00 0.00 H new ATOM 0 HA SER A 57 -5.797 4.477 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.001 2.845 -4.627 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.226 2.239 -5.723 1.00 0.00 H new ATOM 0 HG SER A 57 -3.086 2.024 -6.591 1.00 0.00 H new ATOM 839 N THR A 58 -3.681 5.820 -4.302 1.00 0.00 N ATOM 840 CA THR A 58 -2.675 6.852 -4.083 1.00 0.00 C ATOM 841 C THR A 58 -1.768 6.496 -2.911 1.00 0.00 C ATOM 842 O THR A 58 -2.211 6.449 -1.763 1.00 0.00 O ATOM 843 CB THR A 58 -3.326 8.222 -3.817 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.357 8.092 -2.832 1.00 0.00 O ATOM 845 CG2 THR A 58 -3.910 8.802 -5.096 1.00 0.00 C ATOM 0 H THR A 58 -4.037 5.391 -3.448 1.00 0.00 H new ATOM 0 HA THR A 58 -2.079 6.912 -4.994 1.00 0.00 H new ATOM 0 HB THR A 58 -2.556 8.899 -3.449 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.765 8.968 -2.667 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.364 9.770 -4.883 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.117 8.928 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.668 8.125 -5.490 1.00 0.00 H new ATOM 853 N CYS A 59 -0.497 6.247 -3.207 1.00 0.00 N ATOM 854 CA CYS A 59 0.473 5.895 -2.176 1.00 0.00 C ATOM 855 C CYS A 59 1.326 7.101 -1.798 1.00 0.00 C ATOM 856 O CYS A 59 2.131 7.578 -2.598 1.00 0.00 O ATOM 857 CB CYS A 59 1.368 4.752 -2.658 1.00 0.00 C ATOM 858 SG CYS A 59 2.269 5.113 -4.184 1.00 0.00 S ATOM 0 H CYS A 59 -0.114 6.282 -4.152 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.075 5.569 -1.292 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.085 4.511 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.754 3.865 -2.812 1.00 0.00 H new ATOM 0 HG CYS A 59 2.623 6.364 -4.193 1.00 0.00 H new ATOM 864 N GLU A 60 1.143 7.590 -0.576 1.00 0.00 N ATOM 865 CA GLU A 60 1.895 8.742 -0.094 1.00 0.00 C ATOM 866 C GLU A 60 2.535 8.447 1.260 1.00 0.00 C ATOM 867 O GLU A 60 1.896 7.889 2.152 1.00 0.00 O ATOM 868 CB GLU A 60 0.981 9.965 0.018 1.00 0.00 C ATOM 869 CG GLU A 60 -0.300 9.699 0.790 1.00 0.00 C ATOM 870 CD GLU A 60 -0.816 10.932 1.506 1.00 0.00 C ATOM 871 OE1 GLU A 60 -0.715 12.036 0.932 1.00 0.00 O ATOM 872 OE2 GLU A 60 -1.320 10.792 2.640 1.00 0.00 O ATOM 0 H GLU A 60 0.481 7.206 0.098 1.00 0.00 H new ATOM 0 HA GLU A 60 2.687 8.953 -0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.527 10.773 0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.726 10.311 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.065 9.335 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.123 8.908 1.518 1.00 0.00 H new ATOM 879 N ALA A 61 3.801 8.825 1.404 1.00 0.00 N ATOM 880 CA ALA A 61 4.527 8.602 2.648 1.00 0.00 C ATOM 881 C ALA A 61 4.327 7.177 3.153 1.00 0.00 C ATOM 882 O ALA A 61 4.099 6.956 4.342 1.00 0.00 O ATOM 883 CB ALA A 61 4.086 9.605 3.704 1.00 0.00 C ATOM 0 H ALA A 61 4.345 9.287 0.675 1.00 0.00 H new ATOM 0 HA ALA A 61 5.589 8.743 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.636 9.427 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.287 10.617 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.018 9.491 3.890 1.00 0.00 H new ATOM 889 N GLY A 62 4.413 6.213 2.242 1.00 0.00 N ATOM 890 CA GLY A 62 4.239 4.822 2.614 1.00 0.00 C ATOM 891 C GLY A 62 2.825 4.517 3.071 1.00 0.00 C ATOM 892 O GLY A 62 2.615 3.671 3.940 1.00 0.00 O ATOM 0 H GLY A 62 4.600 6.371 1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.488 4.188 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.938 4.572 3.413 1.00 0.00 H new ATOM 896 N VAL A 63 1.854 5.209 2.484 1.00 0.00 N ATOM 897 CA VAL A 63 0.453 5.008 2.836 1.00 0.00 C ATOM 898 C VAL A 63 -0.386 4.706 1.599 1.00 0.00 C ATOM 899 O VAL A 63 -0.716 5.604 0.826 1.00 0.00 O ATOM 900 CB VAL A 63 -0.129 6.243 3.548 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.570 5.991 3.964 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.724 6.615 4.751 1.00 0.00 C ATOM 0 H VAL A 63 2.011 5.913 1.763 1.00 0.00 H new ATOM 0 HA VAL A 63 0.416 4.155 3.514 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.119 7.081 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.964 6.875 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.172 5.777 3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.609 5.140 4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.298 7.490 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.748 5.781 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.738 6.841 4.422 1.00 0.00 H new ATOM 912 N ALA A 64 -0.729 3.434 1.420 1.00 0.00 N ATOM 913 CA ALA A 64 -1.532 3.013 0.279 1.00 0.00 C ATOM 914 C ALA A 64 -3.015 3.263 0.530 1.00 0.00 C ATOM 915 O ALA A 64 -3.572 2.802 1.525 1.00 0.00 O ATOM 916 CB ALA A 64 -1.287 1.542 -0.024 1.00 0.00 C ATOM 0 H ALA A 64 -0.463 2.678 2.051 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.231 3.606 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.893 1.241 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.233 1.389 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.559 0.941 0.844 1.00 0.00 H new ATOM 922 N GLU A 65 -3.649 3.997 -0.380 1.00 0.00 N ATOM 923 CA GLU A 65 -5.068 4.309 -0.255 1.00 0.00 C ATOM 924 C GLU A 65 -5.813 3.981 -1.546 1.00 0.00 C ATOM 925 O GLU A 65 -5.271 4.128 -2.643 1.00 0.00 O ATOM 926 CB GLU A 65 -5.259 5.786 0.096 1.00 0.00 C ATOM 927 CG GLU A 65 -4.460 6.232 1.309 1.00 0.00 C ATOM 928 CD GLU A 65 -5.058 7.451 1.985 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.115 7.309 2.636 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.469 8.545 1.864 1.00 0.00 O ATOM 0 H GLU A 65 -3.203 4.386 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.479 3.696 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.972 6.395 -0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.317 5.973 0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.407 5.413 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.438 6.455 1.004 1.00 0.00 H new ATOM 937 N LEU A 66 -7.057 3.537 -1.407 1.00 0.00 N ATOM 938 CA LEU A 66 -7.877 3.187 -2.562 1.00 0.00 C ATOM 939 C LEU A 66 -9.269 3.800 -2.446 1.00 0.00 C ATOM 940 O LEU A 66 -10.114 3.310 -1.696 1.00 0.00 O ATOM 941 CB LEU A 66 -7.986 1.667 -2.693 1.00 0.00 C ATOM 942 CG LEU A 66 -8.759 1.152 -3.908 1.00 0.00 C ATOM 943 CD1 LEU A 66 -7.875 1.158 -5.145 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.298 -0.246 -3.643 1.00 0.00 C ATOM 0 H LEU A 66 -7.520 3.411 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.396 3.589 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.979 1.252 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.462 1.278 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.603 1.818 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.442 0.788 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.537 2.175 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.011 0.515 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.845 -0.597 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.469 -0.923 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.967 -0.221 -2.783 1.00 0.00 H new ATOM 956 N HIS A 67 -9.502 4.873 -3.195 1.00 0.00 N ATOM 957 CA HIS A 67 -10.793 5.551 -3.179 1.00 0.00 C ATOM 958 C HIS A 67 -11.817 4.791 -4.017 1.00 0.00 C ATOM 959 O HIS A 67 -11.599 4.541 -5.203 1.00 0.00 O ATOM 960 CB HIS A 67 -10.649 6.981 -3.702 1.00 0.00 C ATOM 961 CG HIS A 67 -9.749 7.836 -2.865 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.192 8.946 -2.176 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.424 7.739 -2.606 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.178 9.495 -1.531 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.093 8.782 -1.775 1.00 0.00 N ATOM 0 H HIS A 67 -8.814 5.292 -3.821 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.145 5.583 -2.148 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.263 6.949 -4.721 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.635 7.443 -3.749 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.752 6.982 -2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.228 10.377 -0.910 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.162 8.974 -1.407 1.00 0.00 H new ATOM 974 N ILE A 68 -12.932 4.427 -3.394 1.00 0.00 N ATOM 975 CA ILE A 68 -13.988 3.696 -4.083 1.00 0.00 C ATOM 976 C ILE A 68 -15.322 4.427 -3.977 1.00 0.00 C ATOM 977 O ILE A 68 -15.973 4.402 -2.933 1.00 0.00 O ATOM 978 CB ILE A 68 -14.149 2.273 -3.517 1.00 0.00 C ATOM 979 CG1 ILE A 68 -12.819 1.519 -3.586 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.231 1.520 -4.277 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.395 1.170 -4.996 1.00 0.00 C ATOM 0 H ILE A 68 -13.128 4.626 -2.413 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.695 3.631 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.450 2.346 -2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.042 2.126 -3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.900 0.602 -3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.333 0.516 -3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.179 2.050 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.957 1.454 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.445 0.637 -4.969 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.153 0.537 -5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.282 2.084 -5.579 1.00 0.00 H new ATOM 993 N GLN A 69 -15.723 5.077 -5.065 1.00 0.00 N ATOM 994 CA GLN A 69 -16.980 5.814 -5.094 1.00 0.00 C ATOM 995 C GLN A 69 -18.103 4.953 -5.663 1.00 0.00 C ATOM 996 O GLN A 69 -17.855 4.007 -6.411 1.00 0.00 O ATOM 997 CB GLN A 69 -16.828 7.090 -5.925 1.00 0.00 C ATOM 998 CG GLN A 69 -16.562 6.828 -7.398 1.00 0.00 C ATOM 999 CD GLN A 69 -16.634 8.088 -8.237 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -15.671 8.455 -8.911 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -17.779 8.759 -8.200 1.00 0.00 N ATOM 0 H GLN A 69 -15.195 5.108 -5.937 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.238 6.084 -4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.735 7.687 -5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.011 7.684 -5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.576 6.377 -7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.288 6.105 -7.771 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.551 8.418 -7.628 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.886 9.615 -8.744 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.337 5.287 -5.303 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.499 4.545 -5.778 1.00 0.00 C ATOM 1012 C ASP A 70 -20.462 3.102 -5.283 1.00 0.00 C ATOM 1013 O ASP A 70 -20.599 2.163 -6.066 1.00 0.00 O ATOM 1014 CB ASP A 70 -20.558 4.571 -7.306 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.932 4.215 -7.839 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -22.913 4.881 -7.444 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -22.027 3.271 -8.650 1.00 0.00 O ATOM 0 H ASP A 70 -19.559 6.067 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.393 5.025 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.280 5.564 -7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -19.824 3.872 -7.707 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.275 2.934 -3.978 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.220 1.607 -3.379 1.00 0.00 C ATOM 1024 C ALA A 71 -21.427 0.769 -3.789 1.00 0.00 C ATOM 1025 O ALA A 71 -22.538 0.983 -3.302 1.00 0.00 O ATOM 1026 CB ALA A 71 -20.141 1.715 -1.863 1.00 0.00 C ATOM 0 H ALA A 71 -20.159 3.701 -3.316 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.323 1.108 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -20.101 0.716 -1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.245 2.269 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -21.021 2.238 -1.489 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.202 -0.184 -4.686 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.272 -1.054 -5.163 1.00 0.00 C ATOM 1034 C LEU A 72 -22.335 -2.338 -4.343 1.00 0.00 C ATOM 1035 O LEU A 72 -21.358 -2.756 -3.722 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.063 -1.389 -6.641 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.447 -0.295 -7.638 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -21.779 -0.539 -8.982 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -23.959 -0.224 -7.797 1.00 0.00 C ATOM 0 H LEU A 72 -20.289 -0.374 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.217 -0.524 -5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.012 -1.637 -6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -22.639 -2.284 -6.875 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.097 0.662 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.064 0.250 -9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.696 -0.538 -8.856 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.097 -1.504 -9.377 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.213 0.560 -8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.332 -1.181 -8.162 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.416 0.000 -6.833 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.512 -2.982 -4.341 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.731 -4.230 -3.603 1.00 0.00 C ATOM 1053 C PRO A 73 -22.978 -5.405 -4.217 1.00 0.00 C ATOM 1054 O PRO A 73 -22.947 -6.497 -3.651 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.242 -4.447 -3.713 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.639 -3.727 -4.955 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.720 -2.541 -5.058 1.00 0.00 C ATOM 0 HA PRO A 73 -23.370 -4.166 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.486 -5.508 -3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.763 -4.050 -2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.542 -4.372 -5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.681 -3.410 -4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.502 -2.291 -6.096 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.157 -1.653 -4.601 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.371 -5.173 -5.377 1.00 0.00 N ATOM 1066 CA GLU A 74 -21.619 -6.214 -6.066 1.00 0.00 C ATOM 1067 C GLU A 74 -20.127 -6.095 -5.769 1.00 0.00 C ATOM 1068 O GLU A 74 -19.319 -6.880 -6.266 1.00 0.00 O ATOM 1069 CB GLU A 74 -21.857 -6.132 -7.576 1.00 0.00 C ATOM 1070 CG GLU A 74 -21.065 -5.029 -8.258 1.00 0.00 C ATOM 1071 CD GLU A 74 -21.267 -5.010 -9.761 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -22.346 -4.569 -10.209 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -20.345 -5.435 -10.488 1.00 0.00 O ATOM 0 H GLU A 74 -22.386 -4.274 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.969 -7.180 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.596 -7.088 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -22.919 -5.972 -7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.360 -4.065 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.005 -5.159 -8.039 1.00 0.00 H new ATOM 1080 N ASP A 75 -19.769 -5.107 -4.956 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.375 -4.884 -4.591 1.00 0.00 C ATOM 1082 C ASP A 75 -18.031 -5.605 -3.292 1.00 0.00 C ATOM 1083 O ASP A 75 -16.866 -5.900 -3.022 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.096 -3.387 -4.447 1.00 0.00 C ATOM 1085 CG ASP A 75 -17.780 -2.727 -5.775 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -16.597 -2.735 -6.176 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -18.716 -2.203 -6.414 1.00 0.00 O ATOM 0 H ASP A 75 -20.425 -4.448 -4.537 1.00 0.00 H new ATOM 0 HA ASP A 75 -17.748 -5.288 -5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.963 -2.900 -4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.260 -3.240 -3.763 1.00 0.00 H new ATOM 1092 N HIS A 76 -19.052 -5.886 -2.488 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.859 -6.572 -1.216 1.00 0.00 C ATOM 1094 C HIS A 76 -18.037 -7.844 -1.405 1.00 0.00 C ATOM 1095 O HIS A 76 -18.557 -8.873 -1.833 1.00 0.00 O ATOM 1096 CB HIS A 76 -20.209 -6.912 -0.585 1.00 0.00 C ATOM 1097 CG HIS A 76 -20.140 -8.027 0.413 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -21.186 -8.895 0.644 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -19.141 -8.413 1.241 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -20.834 -9.767 1.573 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -19.597 -9.497 1.951 1.00 0.00 N ATOM 0 H HIS A 76 -20.022 -5.649 -2.696 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.314 -5.903 -0.550 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -20.607 -6.022 -0.097 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.911 -7.184 -1.373 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.167 -7.954 1.327 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.452 -10.565 1.958 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -19.067 -10.010 2.655 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.749 -7.764 -1.082 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.877 -8.915 -1.224 1.00 0.00 C ATOM 1112 C GLY A 77 -14.617 -8.794 -0.390 1.00 0.00 C ATOM 1113 O GLY A 77 -14.662 -8.349 0.758 1.00 0.00 O ATOM 0 H GLY A 77 -16.295 -6.923 -0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.418 -9.815 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.605 -9.034 -2.273 1.00 0.00 H new ATOM 1117 N THR A 78 -13.487 -9.191 -0.967 1.00 0.00 N ATOM 1118 CA THR A 78 -12.209 -9.127 -0.269 1.00 0.00 C ATOM 1119 C THR A 78 -11.148 -8.446 -1.125 1.00 0.00 C ATOM 1120 O THR A 78 -10.656 -9.022 -2.096 1.00 0.00 O ATOM 1121 CB THR A 78 -11.712 -10.532 0.123 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.718 -11.214 0.880 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.430 -10.445 0.936 1.00 0.00 C ATOM 0 H THR A 78 -13.431 -9.560 -1.916 1.00 0.00 H new ATOM 0 HA THR A 78 -12.372 -8.542 0.636 1.00 0.00 H new ATOM 0 HB THR A 78 -11.506 -11.089 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.825 -10.776 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.098 -11.449 1.201 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.658 -9.952 0.346 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.614 -9.872 1.845 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.800 -7.217 -0.761 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.797 -6.456 -1.497 1.00 0.00 C ATOM 1133 C TYR A 79 -8.388 -6.907 -1.124 1.00 0.00 C ATOM 1134 O TYR A 79 -8.037 -6.976 0.054 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.957 -4.960 -1.220 1.00 0.00 C ATOM 1136 CG TYR A 79 -11.134 -4.335 -1.934 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.417 -4.422 -1.408 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.963 -3.655 -3.134 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.495 -3.853 -2.057 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -12.035 -3.081 -3.789 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.299 -3.183 -3.247 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.371 -2.613 -3.896 1.00 0.00 O ATOM 0 H TYR A 79 -11.198 -6.726 0.040 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.947 -6.640 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.071 -4.808 -0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.045 -4.444 -1.520 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.574 -4.944 -0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.975 -3.574 -3.562 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.486 -3.932 -1.635 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.884 -2.555 -4.720 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.062 -2.179 -4.719 1.00 0.00 H new ATOM 1152 N THR A 80 -7.584 -7.212 -2.137 1.00 0.00 N ATOM 1153 CA THR A 80 -6.213 -7.656 -1.918 1.00 0.00 C ATOM 1154 C THR A 80 -5.213 -6.636 -2.449 1.00 0.00 C ATOM 1155 O THR A 80 -5.217 -6.309 -3.637 1.00 0.00 O ATOM 1156 CB THR A 80 -5.949 -9.016 -2.590 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.881 -9.990 -2.108 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.529 -9.488 -2.317 1.00 0.00 C ATOM 0 H THR A 80 -7.859 -7.160 -3.118 1.00 0.00 H new ATOM 0 HA THR A 80 -6.083 -7.760 -0.841 1.00 0.00 H new ATOM 0 HB THR A 80 -6.074 -8.895 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.707 -10.852 -2.542 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.366 -10.451 -2.802 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.821 -8.759 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.381 -9.593 -1.242 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.356 -6.138 -1.565 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.349 -5.154 -1.946 1.00 0.00 C ATOM 1168 C CYS A 81 -1.958 -5.780 -1.968 1.00 0.00 C ATOM 1169 O CYS A 81 -1.335 -5.971 -0.923 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.373 -3.968 -0.980 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.623 -2.462 -1.642 1.00 0.00 S ATOM 0 H CYS A 81 -4.338 -6.399 -0.579 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.584 -4.800 -2.950 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.407 -3.756 -0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.852 -4.248 -0.064 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.493 -1.496 -1.615 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.478 -6.099 -3.165 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.161 -6.705 -3.324 1.00 0.00 C ATOM 1179 C LEU A 82 0.930 -5.639 -3.351 1.00 0.00 C ATOM 1180 O LEU A 82 0.806 -4.628 -4.041 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.111 -7.535 -4.608 1.00 0.00 C ATOM 1182 CG LEU A 82 1.280 -7.787 -5.191 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.182 -8.441 -4.156 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.186 -8.651 -6.440 1.00 0.00 C ATOM 0 H LEU A 82 -1.981 -5.948 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 82 0.016 -7.358 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.581 -8.499 -4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.715 -7.034 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 82 1.716 -6.827 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.168 -8.613 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.275 -7.787 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.751 -9.393 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.185 -8.820 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.730 -9.608 -6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.576 -8.145 -7.188 1.00 0.00 H new ATOM 1196 N ALA A 83 1.999 -5.875 -2.597 1.00 0.00 N ATOM 1197 CA ALA A 83 3.113 -4.937 -2.538 1.00 0.00 C ATOM 1198 C ALA A 83 4.450 -5.670 -2.571 1.00 0.00 C ATOM 1199 O ALA A 83 4.852 -6.291 -1.587 1.00 0.00 O ATOM 1200 CB ALA A 83 3.013 -4.076 -1.287 1.00 0.00 C ATOM 0 H ALA A 83 2.117 -6.707 -2.019 1.00 0.00 H new ATOM 0 HA ALA A 83 3.059 -4.292 -3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.851 -3.380 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.078 -3.517 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.038 -4.714 -0.403 1.00 0.00 H new ATOM 1206 N GLU A 84 5.133 -5.595 -3.709 1.00 0.00 N ATOM 1207 CA GLU A 84 6.424 -6.254 -3.869 1.00 0.00 C ATOM 1208 C GLU A 84 7.438 -5.313 -4.515 1.00 0.00 C ATOM 1209 O GLU A 84 7.072 -4.411 -5.267 1.00 0.00 O ATOM 1210 CB GLU A 84 6.274 -7.519 -4.716 1.00 0.00 C ATOM 1211 CG GLU A 84 5.955 -7.240 -6.176 1.00 0.00 C ATOM 1212 CD GLU A 84 5.897 -8.504 -7.012 1.00 0.00 C ATOM 1213 OE1 GLU A 84 5.708 -9.592 -6.429 1.00 0.00 O ATOM 1214 OE2 GLU A 84 6.042 -8.406 -8.248 1.00 0.00 O ATOM 0 H GLU A 84 4.814 -5.085 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 84 6.788 -6.529 -2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.197 -8.096 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.484 -8.138 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.999 -6.721 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.710 -6.571 -6.588 1.00 0.00 H new ATOM 1221 N ASN A 85 8.714 -5.533 -4.215 1.00 0.00 N ATOM 1222 CA ASN A 85 9.781 -4.705 -4.765 1.00 0.00 C ATOM 1223 C ASN A 85 11.006 -5.550 -5.101 1.00 0.00 C ATOM 1224 O ASN A 85 10.979 -6.775 -4.987 1.00 0.00 O ATOM 1225 CB ASN A 85 10.164 -3.604 -3.773 1.00 0.00 C ATOM 1226 CG ASN A 85 10.843 -4.154 -2.533 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.188 -5.334 -2.472 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.036 -3.298 -1.536 1.00 0.00 N ATOM 0 H ASN A 85 9.034 -6.277 -3.595 1.00 0.00 H new ATOM 0 HA ASN A 85 9.414 -4.246 -5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.829 -2.893 -4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.269 -3.055 -3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.487 -3.610 -0.676 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.734 -2.328 -1.631 1.00 0.00 H new ATOM 1235 N ALA A 86 12.080 -4.886 -5.516 1.00 0.00 N ATOM 1236 CA ALA A 86 13.316 -5.575 -5.866 1.00 0.00 C ATOM 1237 C ALA A 86 13.887 -6.324 -4.666 1.00 0.00 C ATOM 1238 O ALA A 86 14.706 -7.230 -4.819 1.00 0.00 O ATOM 1239 CB ALA A 86 14.337 -4.585 -6.407 1.00 0.00 C ATOM 0 H ALA A 86 12.119 -3.872 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 86 13.088 -6.306 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.255 -5.113 -6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.937 -4.099 -7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.552 -3.833 -5.648 1.00 0.00 H new ATOM 1245 N LEU A 87 13.449 -5.939 -3.472 1.00 0.00 N ATOM 1246 CA LEU A 87 13.917 -6.573 -2.245 1.00 0.00 C ATOM 1247 C LEU A 87 13.089 -7.814 -1.924 1.00 0.00 C ATOM 1248 O LEU A 87 13.543 -8.942 -2.115 1.00 0.00 O ATOM 1249 CB LEU A 87 13.849 -5.586 -1.079 1.00 0.00 C ATOM 1250 CG LEU A 87 15.088 -4.714 -0.865 1.00 0.00 C ATOM 1251 CD1 LEU A 87 16.102 -5.434 0.010 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.708 -4.332 -2.201 1.00 0.00 C ATOM 0 H LEU A 87 12.771 -5.191 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 87 14.953 -6.878 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.991 -4.932 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.662 -6.148 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 87 14.783 -3.800 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.977 -4.799 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.654 -5.656 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.403 -6.364 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.588 -3.712 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.999 -5.235 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.982 -3.775 -2.793 1.00 0.00 H new ATOM 1264 N GLY A 88 11.872 -7.597 -1.436 1.00 0.00 N ATOM 1265 CA GLY A 88 10.999 -8.706 -1.098 1.00 0.00 C ATOM 1266 C GLY A 88 9.619 -8.566 -1.710 1.00 0.00 C ATOM 1267 O GLY A 88 9.406 -7.731 -2.588 1.00 0.00 O ATOM 0 H GLY A 88 11.475 -6.673 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.451 -9.637 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.907 -8.774 -0.014 1.00 0.00 H new ATOM 1271 N GLN A 89 8.682 -9.386 -1.245 1.00 0.00 N ATOM 1272 CA GLN A 89 7.316 -9.350 -1.755 1.00 0.00 C ATOM 1273 C GLN A 89 6.319 -9.736 -0.667 1.00 0.00 C ATOM 1274 O GLN A 89 6.497 -10.738 0.026 1.00 0.00 O ATOM 1275 CB GLN A 89 7.172 -10.291 -2.952 1.00 0.00 C ATOM 1276 CG GLN A 89 7.385 -11.755 -2.605 1.00 0.00 C ATOM 1277 CD GLN A 89 7.031 -12.684 -3.750 1.00 0.00 C ATOM 1278 OE1 GLN A 89 7.822 -13.545 -4.134 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.835 -12.514 -4.302 1.00 0.00 N ATOM 0 H GLN A 89 8.843 -10.082 -0.517 1.00 0.00 H new ATOM 0 HA GLN A 89 7.100 -8.331 -2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.178 -10.169 -3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.889 -10.000 -3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.427 -11.910 -2.325 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.780 -12.010 -1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.210 -11.787 -3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.541 -13.110 -5.076 1.00 0.00 H new ATOM 1288 N VAL A 90 5.269 -8.933 -0.522 1.00 0.00 N ATOM 1289 CA VAL A 90 4.243 -9.191 0.481 1.00 0.00 C ATOM 1290 C VAL A 90 2.860 -8.815 -0.038 1.00 0.00 C ATOM 1291 O VAL A 90 2.731 -8.023 -0.973 1.00 0.00 O ATOM 1292 CB VAL A 90 4.521 -8.412 1.781 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.939 -8.669 2.265 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.282 -6.924 1.571 1.00 0.00 C ATOM 0 H VAL A 90 5.107 -8.099 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 90 4.270 -10.260 0.694 1.00 0.00 H new ATOM 0 HB VAL A 90 3.832 -8.763 2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.117 -8.110 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.071 -9.734 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.648 -8.347 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.483 -6.389 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.946 -6.556 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.246 -6.760 1.275 1.00 0.00 H new ATOM 1304 N SER A 91 1.828 -9.387 0.574 1.00 0.00 N ATOM 1305 CA SER A 91 0.454 -9.114 0.171 1.00 0.00 C ATOM 1306 C SER A 91 -0.490 -9.202 1.366 1.00 0.00 C ATOM 1307 O SER A 91 -0.234 -9.936 2.321 1.00 0.00 O ATOM 1308 CB SER A 91 0.013 -10.099 -0.914 1.00 0.00 C ATOM 1309 OG SER A 91 0.503 -11.402 -0.650 1.00 0.00 O ATOM 0 H SER A 91 1.918 -10.042 1.351 1.00 0.00 H new ATOM 0 HA SER A 91 0.413 -8.101 -0.229 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.075 -10.121 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.375 -9.761 -1.885 1.00 0.00 H new ATOM 0 HG SER A 91 0.206 -12.013 -1.357 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.582 -8.448 1.306 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.566 -8.439 2.383 1.00 0.00 C ATOM 1317 C CYS A 92 -3.985 -8.453 1.825 1.00 0.00 C ATOM 1318 O CYS A 92 -4.209 -8.109 0.664 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.367 -7.211 3.273 1.00 0.00 C ATOM 1320 SG CYS A 92 -3.074 -5.689 2.598 1.00 0.00 S ATOM 0 H CYS A 92 -1.809 -7.835 0.523 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.422 -9.339 2.980 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -2.814 -7.406 4.248 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.300 -7.062 3.436 1.00 0.00 H new ATOM 0 HG CYS A 92 -2.857 -4.707 3.422 1.00 0.00 H new ATOM 1326 N SER A 93 -4.939 -8.856 2.658 1.00 0.00 N ATOM 1327 CA SER A 93 -6.336 -8.920 2.245 1.00 0.00 C ATOM 1328 C SER A 93 -7.206 -8.034 3.132 1.00 0.00 C ATOM 1329 O SER A 93 -6.746 -7.510 4.146 1.00 0.00 O ATOM 1330 CB SER A 93 -6.839 -10.364 2.298 1.00 0.00 C ATOM 1331 OG SER A 93 -6.633 -10.930 3.581 1.00 0.00 O ATOM 0 H SER A 93 -4.770 -9.143 3.622 1.00 0.00 H new ATOM 0 HA SER A 93 -6.403 -8.556 1.220 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.900 -10.392 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.321 -10.960 1.547 1.00 0.00 H new ATOM 0 HG SER A 93 -6.965 -11.852 3.589 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.466 -7.872 2.742 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.401 -7.052 3.501 1.00 0.00 C ATOM 1339 C ALA A 94 -10.835 -7.534 3.309 1.00 0.00 C ATOM 1340 O ALA A 94 -11.109 -8.369 2.447 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.275 -5.592 3.093 1.00 0.00 C ATOM 0 H ALA A 94 -8.863 -8.298 1.904 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.152 -7.145 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.980 -4.991 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.260 -5.246 3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.495 -5.491 2.030 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.746 -7.005 4.118 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.152 -7.382 4.037 1.00 0.00 C ATOM 1349 C TRP A 95 -14.050 -6.151 4.079 1.00 0.00 C ATOM 1350 O TRP A 95 -14.265 -5.563 5.140 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.513 -8.331 5.181 1.00 0.00 C ATOM 1352 CG TRP A 95 -14.882 -8.926 5.050 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.060 -8.371 5.462 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.214 -10.192 4.469 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.105 -9.216 5.171 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.612 -10.339 4.561 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -14.468 -11.214 3.877 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.275 -11.467 4.085 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.127 -12.333 3.406 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -16.519 -12.453 3.511 1.00 0.00 C ATOM 0 H TRP A 95 -11.536 -6.313 4.838 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.311 -7.892 3.087 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -12.778 -9.135 5.222 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.448 -7.791 6.126 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.157 -7.410 5.945 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.088 -9.036 5.376 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.395 -11.131 3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.348 -11.561 4.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -14.559 -13.130 2.949 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.004 -13.340 3.132 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.572 -5.764 2.920 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.448 -4.603 2.825 1.00 0.00 C ATOM 1373 C VAL A 96 -16.903 -5.024 2.655 1.00 0.00 C ATOM 1374 O VAL A 96 -17.223 -5.873 1.822 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.048 -3.693 1.649 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -15.911 -2.440 1.626 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.573 -3.333 1.732 1.00 0.00 C ATOM 0 H VAL A 96 -14.403 -6.238 2.033 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.340 -4.049 3.757 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.214 -4.236 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.614 -1.809 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.958 -2.721 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.780 -1.891 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.308 -2.690 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.379 -2.808 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.974 -4.243 1.695 1.00 0.00 H new ATOM 1387 N THR A 97 -17.784 -4.426 3.451 1.00 0.00 N ATOM 1388 CA THR A 97 -19.206 -4.739 3.390 1.00 0.00 C ATOM 1389 C THR A 97 -20.011 -3.545 2.889 1.00 0.00 C ATOM 1390 O THR A 97 -19.728 -2.400 3.242 1.00 0.00 O ATOM 1391 CB THR A 97 -19.747 -5.166 4.767 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.078 -4.439 5.804 1.00 0.00 O ATOM 1393 CG2 THR A 97 -19.556 -6.660 4.984 1.00 0.00 C ATOM 0 H THR A 97 -17.537 -3.722 4.146 1.00 0.00 H new ATOM 0 HA THR A 97 -19.317 -5.568 2.691 1.00 0.00 H new ATOM 0 HB THR A 97 -20.814 -4.944 4.798 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.429 -4.715 6.676 1.00 0.00 H new ATOM 0 HG21 THR A 97 -19.946 -6.938 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 97 -20.091 -7.211 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 97 -18.494 -6.902 4.934 1.00 0.00 H new ATOM 1401 N VAL A 98 -21.017 -3.820 2.064 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.865 -2.768 1.516 1.00 0.00 C ATOM 1403 C VAL A 98 -23.329 -3.004 1.866 1.00 0.00 C ATOM 1404 O VAL A 98 -23.990 -3.859 1.274 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.723 -2.674 -0.015 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.509 -1.488 -0.553 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.257 -2.574 -0.409 1.00 0.00 C ATOM 0 H VAL A 98 -21.264 -4.762 1.761 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.535 -1.830 1.963 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.134 -3.582 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.397 -1.438 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.563 -1.607 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -22.131 -0.568 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.175 -2.508 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.819 -1.684 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.725 -3.458 -0.058 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.832 -2.242 2.831 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.221 -2.367 3.260 1.00 0.00 C ATOM 1419 C HIS A 99 -26.167 -2.291 2.066 1.00 0.00 C ATOM 1420 O HIS A 99 -25.875 -1.625 1.072 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.566 -1.272 4.270 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.697 -1.287 5.489 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.723 -2.303 6.420 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.771 -0.402 5.928 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.853 -2.042 7.379 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.261 -0.894 7.104 1.00 0.00 N ATOM 0 H HIS A 99 -23.299 -1.531 3.331 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.342 -3.340 3.736 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.479 -0.300 3.784 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.607 -1.384 4.574 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.321 -3.128 6.375 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.486 0.520 5.443 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.659 -2.662 8.242 1.00 0.00 H new TER 1435 HIS A 99