USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 558 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 39 ASN : amide:sc= 0.00663 K(o=0.13,f=-0.51) USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 0.219 USER MOD Set 1.3: A 71 MET CE :methyl -160:sc= -0.0949 (180deg=-0.54) USER MOD Set 2.1: A 51 ASN : amide:sc= 1.87 K(o=0.64,f=-7.3!) USER MOD Set 2.2: A 54 CYS SG : rot -47:sc= -1.23! USER MOD Set 3.1: A 49 ASN : amide:sc= 0.362 K(o=2.5,f=1.5) USER MOD Set 3.2: A 72 THR OG1 : rot 79:sc= 1.52 USER MOD Set 3.3: A 75 GLN : amide:sc= 0.648 K(o=2.5,f=0.34) USER MOD Set 4.1: A 34 SER OG : rot -138:sc= 1.04 USER MOD Set 4.2: A 38 LYS NZ :NH3+ -171:sc= 2.3 (180deg=2.13) USER MOD Set 5.1: A 26 LYS NZ :NH3+ 179:sc= 0.965 (180deg=-0.00454) USER MOD Set 5.2: A 27 THR OG1 : rot 150:sc= 0.837 USER MOD Single : A 11 GLN : amide:sc= 0.355 K(o=0.35,f=-2.4) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 25 TYR OH : rot 30:sc= 1.26 USER MOD Single : A 32 GLN : amide:sc= 0.463 K(o=0.46,f=-0.39) USER MOD Single : A 35 GLN : amide:sc= 0.96 K(o=0.96,f=-0.028) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 48 GLN : amide:sc= 1.17 K(o=1.2,f=-0.43) USER MOD Single : A 55 LYS NZ :NH3+ -144:sc= 2.04 (180deg=1.22) USER MOD Single : A 56 THR OG1 : rot 89:sc= 1.33 USER MOD Single : A 59 LYS NZ :NH3+ 149:sc= -0.38! (180deg=-1.48!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : A 70 MET CE :methyl -179:sc= 0 (180deg=-0.00151) USER MOD Single : A 74 CYS SG : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 3.059 -11.348 0.974 1.00 0.00 N ATOM 71 CA ILE A 6 2.568 -11.806 2.291 1.00 0.00 C ATOM 72 C ILE A 6 2.393 -10.644 3.283 1.00 0.00 C ATOM 73 O ILE A 6 1.304 -10.474 3.826 1.00 0.00 O ATOM 74 CB ILE A 6 3.430 -12.960 2.853 1.00 0.00 C ATOM 75 CG1 ILE A 6 3.421 -13.136 4.389 1.00 0.00 C ATOM 76 CG2 ILE A 6 4.893 -12.960 2.373 1.00 0.00 C ATOM 77 CD1 ILE A 6 2.067 -13.410 5.050 1.00 0.00 C ATOM 0 HA ILE A 6 1.570 -12.217 2.140 1.00 0.00 H new ATOM 0 HB ILE A 6 2.907 -13.814 2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.093 -13.957 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.840 -12.234 4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.422 -13.803 2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.920 -13.046 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.375 -12.030 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.202 -13.513 6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.389 -12.581 4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.645 -14.331 4.648 1.00 0.00 H new ATOM 89 N LEU A 7 3.410 -9.801 3.477 1.00 0.00 N ATOM 90 CA LEU A 7 3.394 -8.678 4.427 1.00 0.00 C ATOM 91 C LEU A 7 2.524 -7.472 3.997 1.00 0.00 C ATOM 92 O LEU A 7 2.826 -6.335 4.332 1.00 0.00 O ATOM 93 CB LEU A 7 4.840 -8.313 4.819 1.00 0.00 C ATOM 94 CG LEU A 7 5.708 -7.587 3.766 1.00 0.00 C ATOM 95 CD1 LEU A 7 6.954 -7.023 4.450 1.00 0.00 C ATOM 96 CD2 LEU A 7 6.191 -8.497 2.635 1.00 0.00 C ATOM 0 H LEU A 7 4.290 -9.879 2.967 1.00 0.00 H new ATOM 0 HA LEU A 7 2.876 -9.016 5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.798 -7.686 5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.353 -9.232 5.101 1.00 0.00 H new ATOM 0 HG LEU A 7 5.075 -6.813 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.572 -6.509 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.655 -6.320 5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.524 -7.838 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.794 -7.919 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.793 -9.305 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.331 -8.916 2.113 1.00 0.00 H new ATOM 108 N ASP A 8 1.448 -7.748 3.262 1.00 0.00 N ATOM 109 CA ASP A 8 0.404 -6.806 2.790 1.00 0.00 C ATOM 110 C ASP A 8 -0.989 -7.224 3.322 1.00 0.00 C ATOM 111 O ASP A 8 -2.002 -6.556 3.136 1.00 0.00 O ATOM 112 CB ASP A 8 0.454 -6.792 1.253 1.00 0.00 C ATOM 113 CG ASP A 8 -0.223 -5.598 0.556 1.00 0.00 C ATOM 114 OD1 ASP A 8 -0.303 -4.501 1.142 1.00 0.00 O ATOM 115 OD2 ASP A 8 -0.580 -5.780 -0.636 1.00 0.00 O ATOM 0 H ASP A 8 1.258 -8.701 2.952 1.00 0.00 H new ATOM 0 HA ASP A 8 0.587 -5.801 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.499 -6.819 0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.010 -7.708 0.888 1.00 0.00 H new ATOM 120 N ILE A 9 -1.015 -8.360 4.026 1.00 0.00 N ATOM 121 CA ILE A 9 -2.099 -8.931 4.823 1.00 0.00 C ATOM 122 C ILE A 9 -1.499 -9.555 6.097 1.00 0.00 C ATOM 123 O ILE A 9 -0.358 -9.284 6.469 1.00 0.00 O ATOM 124 CB ILE A 9 -2.890 -9.963 3.999 1.00 0.00 C ATOM 125 CG1 ILE A 9 -2.012 -11.143 3.525 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.650 -9.273 2.858 1.00 0.00 C ATOM 127 CD1 ILE A 9 -2.885 -12.300 3.051 1.00 0.00 C ATOM 0 H ILE A 9 -0.192 -8.962 4.053 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.803 -8.150 5.112 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.635 -10.416 4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.359 -10.816 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.368 -11.475 4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.203 -10.018 2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.346 -8.544 3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.941 -8.766 2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.251 -13.123 2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.519 -12.637 3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.510 -11.968 2.222 1.00 0.00 H new ATOM 139 N ARG A 10 -2.250 -10.434 6.767 1.00 0.00 N ATOM 140 CA ARG A 10 -1.746 -11.301 7.831 1.00 0.00 C ATOM 141 C ARG A 10 -2.012 -12.769 7.535 1.00 0.00 C ATOM 142 O ARG A 10 -2.974 -13.129 6.856 1.00 0.00 O ATOM 143 CB ARG A 10 -2.391 -10.921 9.171 1.00 0.00 C ATOM 144 CG ARG A 10 -3.934 -11.023 9.166 1.00 0.00 C ATOM 145 CD ARG A 10 -4.335 -12.386 9.735 1.00 0.00 C ATOM 146 NE ARG A 10 -5.774 -12.686 9.664 1.00 0.00 N ATOM 147 CZ ARG A 10 -6.267 -13.900 9.842 1.00 0.00 C ATOM 148 NH1 ARG A 10 -5.507 -14.899 10.205 1.00 0.00 N ATOM 149 NH2 ARG A 10 -7.536 -14.137 9.668 1.00 0.00 N ATOM 0 H ARG A 10 -3.244 -10.564 6.580 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.667 -11.158 7.888 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.995 -11.570 9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.103 -9.901 9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.368 -10.221 9.763 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.317 -10.909 8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.790 -13.162 9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.019 -12.436 10.777 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.421 -11.922 9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.509 -14.752 10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.911 -15.826 10.336 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.163 -13.381 9.391 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.903 -15.078 9.809 1.00 0.00 H new ATOM 163 N GLN A 11 -1.223 -13.602 8.198 1.00 0.00 N ATOM 164 CA GLN A 11 -1.429 -15.034 8.323 1.00 0.00 C ATOM 165 C GLN A 11 -2.096 -15.378 9.668 1.00 0.00 C ATOM 166 O GLN A 11 -2.440 -14.523 10.481 1.00 0.00 O ATOM 167 CB GLN A 11 -0.090 -15.745 8.105 1.00 0.00 C ATOM 168 CG GLN A 11 0.981 -15.541 9.185 1.00 0.00 C ATOM 169 CD GLN A 11 2.265 -16.250 8.773 1.00 0.00 C ATOM 170 OE1 GLN A 11 2.577 -16.374 7.605 1.00 0.00 O ATOM 171 NE2 GLN A 11 3.008 -16.802 9.698 1.00 0.00 N ATOM 0 H GLN A 11 -0.385 -13.282 8.684 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.120 -15.388 7.558 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.283 -16.814 8.014 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.320 -15.413 7.151 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.171 -14.477 9.327 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.628 -15.932 10.139 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.755 -16.704 10.681 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.840 -17.330 9.436 1.00 0.00 H new ATOM 180 N GLY A 12 -2.331 -16.658 9.893 1.00 0.00 N ATOM 181 CA GLY A 12 -2.989 -17.193 11.088 1.00 0.00 C ATOM 182 C GLY A 12 -3.657 -18.538 10.794 1.00 0.00 C ATOM 183 O GLY A 12 -4.846 -18.543 10.471 1.00 0.00 O ATOM 0 H GLY A 12 -2.062 -17.385 9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.257 -17.314 11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.735 -16.483 11.445 1.00 0.00 H new ATOM 187 N PRO A 13 -2.928 -19.661 10.911 1.00 0.00 N ATOM 188 CA PRO A 13 -3.319 -21.004 10.456 1.00 0.00 C ATOM 189 C PRO A 13 -4.329 -21.705 11.384 1.00 0.00 C ATOM 190 O PRO A 13 -4.369 -22.927 11.449 1.00 0.00 O ATOM 191 CB PRO A 13 -1.990 -21.771 10.413 1.00 0.00 C ATOM 192 CG PRO A 13 -1.276 -21.211 11.644 1.00 0.00 C ATOM 193 CD PRO A 13 -1.639 -19.731 11.585 1.00 0.00 C ATOM 0 HA PRO A 13 -3.835 -20.959 9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.136 -22.849 10.478 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.435 -21.580 9.494 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.625 -21.679 12.565 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.198 -21.368 11.595 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.698 -19.303 12.586 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.883 -19.165 11.041 1.00 0.00 H new ATOM 201 N LYS A 14 -5.105 -20.943 12.167 1.00 0.00 N ATOM 202 CA LYS A 14 -5.953 -21.502 13.253 1.00 0.00 C ATOM 203 C LYS A 14 -6.962 -22.556 12.779 1.00 0.00 C ATOM 204 O LYS A 14 -7.325 -23.437 13.547 1.00 0.00 O ATOM 205 CB LYS A 14 -6.652 -20.360 14.014 1.00 0.00 C ATOM 206 CG LYS A 14 -7.341 -20.748 15.348 1.00 0.00 C ATOM 207 CD LYS A 14 -8.887 -20.814 15.356 1.00 0.00 C ATOM 208 CE LYS A 14 -9.453 -22.188 14.967 1.00 0.00 C ATOM 209 NZ LYS A 14 -10.934 -22.238 14.961 1.00 0.00 N ATOM 0 H LYS A 14 -5.169 -19.929 12.075 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.283 -22.035 13.928 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.914 -19.585 14.222 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.401 -19.919 13.357 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.960 -21.723 15.653 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.030 -20.032 16.109 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.247 -20.552 16.351 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.277 -20.063 14.668 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.084 -22.457 13.977 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.075 -22.938 15.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.248 -23.192 14.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.293 -22.012 15.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.302 -21.546 14.278 1.00 0.00 H new ATOM 223 N GLU A 15 -7.458 -22.393 11.556 1.00 0.00 N ATOM 224 CA GLU A 15 -8.597 -23.087 10.962 1.00 0.00 C ATOM 225 C GLU A 15 -8.497 -23.290 9.421 1.00 0.00 C ATOM 226 O GLU A 15 -8.855 -24.369 8.931 1.00 0.00 O ATOM 227 CB GLU A 15 -9.818 -22.210 11.322 1.00 0.00 C ATOM 228 CG GLU A 15 -11.085 -23.002 11.613 1.00 0.00 C ATOM 229 CD GLU A 15 -11.758 -23.525 10.343 1.00 0.00 C ATOM 230 OE1 GLU A 15 -11.604 -22.891 9.279 1.00 0.00 O ATOM 231 OE2 GLU A 15 -12.379 -24.605 10.366 1.00 0.00 O ATOM 0 H GLU A 15 -7.044 -21.724 10.907 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.658 -24.103 11.351 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.572 -21.604 12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.013 -21.522 10.500 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.842 -23.842 12.263 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.787 -22.370 12.157 1.00 0.00 H new ATOM 238 N PRO A 16 -8.043 -22.304 8.609 1.00 0.00 N ATOM 239 CA PRO A 16 -8.080 -22.437 7.154 1.00 0.00 C ATOM 240 C PRO A 16 -6.806 -23.084 6.590 1.00 0.00 C ATOM 241 O PRO A 16 -5.698 -22.818 7.052 1.00 0.00 O ATOM 242 CB PRO A 16 -8.222 -21.003 6.638 1.00 0.00 C ATOM 243 CG PRO A 16 -7.399 -20.197 7.640 1.00 0.00 C ATOM 244 CD PRO A 16 -7.610 -20.949 8.956 1.00 0.00 C ATOM 0 HA PRO A 16 -8.897 -23.088 6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.838 -20.899 5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.263 -20.682 6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.346 -20.163 7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.744 -19.165 7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.688 -20.975 9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.360 -20.450 9.570 1.00 0.00 H new ATOM 252 N PHE A 17 -6.961 -23.845 5.501 1.00 0.00 N ATOM 253 CA PHE A 17 -5.835 -24.324 4.688 1.00 0.00 C ATOM 254 C PHE A 17 -6.021 -23.938 3.215 1.00 0.00 C ATOM 255 O PHE A 17 -5.388 -22.979 2.812 1.00 0.00 O ATOM 256 CB PHE A 17 -5.515 -25.812 4.914 1.00 0.00 C ATOM 257 CG PHE A 17 -4.157 -26.061 5.569 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.941 -25.705 6.917 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.093 -26.626 4.832 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.676 -25.886 7.512 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.835 -26.829 5.438 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.622 -26.445 6.772 1.00 0.00 C ATOM 0 H PHE A 17 -7.872 -24.147 5.157 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.937 -23.810 5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.294 -26.250 5.538 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.545 -26.330 3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.752 -25.290 7.498 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.243 -26.904 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.517 -25.594 8.540 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.033 -27.281 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.652 -26.579 7.227 1.00 0.00 H new ATOM 272 N ARG A 18 -6.887 -24.561 2.386 1.00 0.00 N ATOM 273 CA ARG A 18 -6.949 -24.243 0.932 1.00 0.00 C ATOM 274 C ARG A 18 -7.158 -22.748 0.614 1.00 0.00 C ATOM 275 O ARG A 18 -6.411 -22.129 -0.155 1.00 0.00 O ATOM 276 CB ARG A 18 -7.925 -25.184 0.194 1.00 0.00 C ATOM 277 CG ARG A 18 -9.414 -25.197 0.586 1.00 0.00 C ATOM 278 CD ARG A 18 -10.271 -24.061 0.013 1.00 0.00 C ATOM 279 NE ARG A 18 -11.036 -24.429 -1.205 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.357 -24.367 -1.381 1.00 0.00 C ATOM 281 NH1 ARG A 18 -13.186 -23.872 -0.514 1.00 0.00 N ATOM 282 NH2 ARG A 18 -12.897 -24.844 -2.461 1.00 0.00 N ATOM 0 H ARG A 18 -7.547 -25.278 2.688 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.955 -24.443 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.870 -24.943 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.549 -26.200 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.845 -26.146 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.483 -25.164 1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.970 -23.726 0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.624 -23.215 -0.220 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.490 -24.768 -1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.838 -23.498 0.369 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.186 -23.857 -0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.311 -25.269 -3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.907 -24.794 -2.591 1.00 0.00 H new ATOM 296 N ASP A 19 -8.126 -22.173 1.328 1.00 0.00 N ATOM 297 CA ASP A 19 -8.626 -20.789 1.145 1.00 0.00 C ATOM 298 C ASP A 19 -7.647 -19.705 1.645 1.00 0.00 C ATOM 299 O ASP A 19 -7.893 -18.506 1.494 1.00 0.00 O ATOM 300 CB ASP A 19 -10.037 -20.631 1.760 1.00 0.00 C ATOM 301 CG ASP A 19 -11.147 -20.883 0.725 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.081 -20.225 -0.339 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.978 -21.788 0.958 1.00 0.00 O ATOM 0 H ASP A 19 -8.608 -22.667 2.079 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.702 -20.625 0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.151 -21.327 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.144 -19.626 2.169 1.00 0.00 H new ATOM 308 N TYR A 20 -6.499 -20.154 2.154 1.00 0.00 N ATOM 309 CA TYR A 20 -5.330 -19.324 2.493 1.00 0.00 C ATOM 310 C TYR A 20 -4.032 -19.785 1.801 1.00 0.00 C ATOM 311 O TYR A 20 -3.231 -18.947 1.392 1.00 0.00 O ATOM 312 CB TYR A 20 -5.141 -19.242 4.017 1.00 0.00 C ATOM 313 CG TYR A 20 -3.964 -18.360 4.406 1.00 0.00 C ATOM 314 CD1 TYR A 20 -4.067 -16.958 4.307 1.00 0.00 C ATOM 315 CD2 TYR A 20 -2.732 -18.944 4.765 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.937 -16.147 4.529 1.00 0.00 C ATOM 317 CE2 TYR A 20 -1.596 -18.137 4.973 1.00 0.00 C ATOM 318 CZ TYR A 20 -1.692 -16.737 4.828 1.00 0.00 C ATOM 319 OH TYR A 20 -0.588 -15.955 4.936 1.00 0.00 O ATOM 0 H TYR A 20 -6.347 -21.143 2.351 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.541 -18.326 2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.051 -18.852 4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.989 -20.245 4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.015 -16.504 4.060 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.659 -20.015 4.881 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.024 -15.072 4.470 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.653 -18.589 5.243 1.00 0.00 H new ATOM 0 HH TYR A 20 0.189 -16.514 5.146 1.00 0.00 H new ATOM 329 N VAL A 21 -3.835 -21.094 1.605 1.00 0.00 N ATOM 330 CA VAL A 21 -2.603 -21.674 1.059 1.00 0.00 C ATOM 331 C VAL A 21 -2.284 -21.122 -0.314 1.00 0.00 C ATOM 332 O VAL A 21 -1.137 -20.724 -0.519 1.00 0.00 O ATOM 333 CB VAL A 21 -2.609 -23.221 1.049 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.476 -23.874 -0.030 1.00 0.00 C ATOM 335 CG2 VAL A 21 -1.205 -23.793 0.858 1.00 0.00 C ATOM 0 H VAL A 21 -4.543 -21.794 1.826 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.807 -21.372 1.740 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.031 -23.457 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.407 -24.959 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.513 -23.565 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.126 -23.564 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.253 -24.882 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.797 -23.447 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.562 -23.459 1.672 1.00 0.00 H new ATOM 345 N ASP A 22 -3.267 -21.036 -1.228 1.00 0.00 N ATOM 346 CA ASP A 22 -2.891 -20.503 -2.554 1.00 0.00 C ATOM 347 C ASP A 22 -2.462 -19.044 -2.463 1.00 0.00 C ATOM 348 O ASP A 22 -1.389 -18.648 -2.899 1.00 0.00 O ATOM 349 CB ASP A 22 -4.014 -20.613 -3.575 1.00 0.00 C ATOM 350 CG ASP A 22 -3.375 -20.947 -4.927 1.00 0.00 C ATOM 351 OD1 ASP A 22 -2.925 -22.110 -5.054 1.00 0.00 O ATOM 352 OD2 ASP A 22 -3.210 -20.010 -5.740 1.00 0.00 O ATOM 0 H ASP A 22 -4.243 -21.301 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.057 -21.119 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.723 -21.388 -3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.571 -19.678 -3.635 1.00 0.00 H new ATOM 357 N ARG A 23 -3.316 -18.281 -1.781 1.00 0.00 N ATOM 358 CA ARG A 23 -3.181 -16.844 -1.481 1.00 0.00 C ATOM 359 C ARG A 23 -1.789 -16.467 -0.987 1.00 0.00 C ATOM 360 O ARG A 23 -1.257 -15.441 -1.406 1.00 0.00 O ATOM 361 CB ARG A 23 -4.194 -16.389 -0.413 1.00 0.00 C ATOM 362 CG ARG A 23 -5.499 -17.152 -0.324 1.00 0.00 C ATOM 363 CD ARG A 23 -6.379 -16.958 -1.544 1.00 0.00 C ATOM 364 NE ARG A 23 -7.741 -17.016 -1.029 1.00 0.00 N ATOM 365 CZ ARG A 23 -8.773 -17.682 -1.491 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.825 -18.156 -2.701 1.00 0.00 N ATOM 367 NH2 ARG A 23 -9.749 -17.921 -0.675 1.00 0.00 N ATOM 0 H ARG A 23 -4.177 -18.669 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.372 -16.341 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.705 -16.442 0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.428 -15.340 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.286 -18.214 -0.201 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.042 -16.831 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.179 -16.002 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.203 -17.736 -2.287 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.917 -16.461 -0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.040 -18.016 -3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.650 -18.667 -3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.699 -17.594 0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.569 -18.436 -0.997 1.00 0.00 H new ATOM 381 N PHE A 24 -1.243 -17.280 -0.090 1.00 0.00 N ATOM 382 CA PHE A 24 0.110 -17.122 0.443 1.00 0.00 C ATOM 383 C PHE A 24 1.208 -17.605 -0.521 1.00 0.00 C ATOM 384 O PHE A 24 2.070 -16.808 -0.916 1.00 0.00 O ATOM 385 CB PHE A 24 0.209 -17.864 1.780 1.00 0.00 C ATOM 386 CG PHE A 24 1.595 -17.796 2.403 1.00 0.00 C ATOM 387 CD1 PHE A 24 2.249 -16.569 2.618 1.00 0.00 C ATOM 388 CD2 PHE A 24 2.275 -18.982 2.701 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.566 -16.548 3.122 1.00 0.00 C ATOM 390 CE2 PHE A 24 3.580 -18.959 3.205 1.00 0.00 C ATOM 391 CZ PHE A 24 4.233 -17.736 3.441 1.00 0.00 C ATOM 0 H PHE A 24 -1.736 -18.085 0.297 1.00 0.00 H new ATOM 0 HA PHE A 24 0.283 -16.055 0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.516 -17.443 2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.063 -18.909 1.629 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.742 -15.642 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.785 -19.931 2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.067 -15.602 3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.090 -19.888 3.414 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.228 -17.714 3.860 1.00 0.00 H new ATOM 401 N TYR A 25 1.171 -18.881 -0.939 1.00 0.00 N ATOM 402 CA TYR A 25 2.198 -19.440 -1.830 1.00 0.00 C ATOM 403 C TYR A 25 2.321 -18.666 -3.155 1.00 0.00 C ATOM 404 O TYR A 25 3.449 -18.512 -3.614 1.00 0.00 O ATOM 405 CB TYR A 25 2.006 -20.950 -2.066 1.00 0.00 C ATOM 406 CG TYR A 25 2.867 -21.890 -1.221 1.00 0.00 C ATOM 407 CD1 TYR A 25 3.069 -21.679 0.162 1.00 0.00 C ATOM 408 CD2 TYR A 25 3.462 -23.017 -1.829 1.00 0.00 C ATOM 409 CE1 TYR A 25 3.801 -22.604 0.925 1.00 0.00 C ATOM 410 CE2 TYR A 25 4.218 -23.933 -1.069 1.00 0.00 C ATOM 411 CZ TYR A 25 4.369 -23.738 0.314 1.00 0.00 C ATOM 412 OH TYR A 25 4.981 -24.683 1.065 1.00 0.00 O ATOM 0 H TYR A 25 0.442 -19.543 -0.674 1.00 0.00 H new ATOM 0 HA TYR A 25 3.147 -19.316 -1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.959 -21.193 -1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.205 -21.159 -3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.657 -20.800 0.636 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.336 -23.179 -2.889 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.929 -22.444 1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.680 -24.783 -1.549 1.00 0.00 H new ATOM 0 HH TYR A 25 4.566 -24.715 1.952 1.00 0.00 H new ATOM 422 N LYS A 26 1.221 -18.109 -3.696 1.00 0.00 N ATOM 423 CA LYS A 26 1.102 -17.225 -4.880 1.00 0.00 C ATOM 424 C LYS A 26 2.216 -16.186 -4.993 1.00 0.00 C ATOM 425 O LYS A 26 2.681 -15.911 -6.103 1.00 0.00 O ATOM 426 CB LYS A 26 -0.310 -16.580 -4.840 1.00 0.00 C ATOM 427 CG LYS A 26 -0.593 -15.346 -5.727 1.00 0.00 C ATOM 428 CD LYS A 26 -0.245 -13.986 -5.081 1.00 0.00 C ATOM 429 CE LYS A 26 -1.208 -13.542 -3.966 1.00 0.00 C ATOM 430 NZ LYS A 26 -0.660 -12.422 -3.148 1.00 0.00 N ATOM 0 H LYS A 26 0.306 -18.280 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 26 1.222 -17.825 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.032 -17.351 -5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.514 -16.297 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.029 -15.446 -6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.649 -15.344 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.764 -14.040 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.233 -13.222 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.155 -13.234 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.422 -14.391 -3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.354 -12.150 -2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.221 -12.727 -2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.464 -11.606 -3.763 1.00 0.00 H new ATOM 444 N THR A 27 2.619 -15.646 -3.842 1.00 0.00 N ATOM 445 CA THR A 27 3.552 -14.527 -3.673 1.00 0.00 C ATOM 446 C THR A 27 4.882 -14.997 -3.106 1.00 0.00 C ATOM 447 O THR A 27 5.896 -14.801 -3.773 1.00 0.00 O ATOM 448 CB THR A 27 2.927 -13.407 -2.815 1.00 0.00 C ATOM 449 OG1 THR A 27 1.687 -13.760 -2.208 1.00 0.00 O ATOM 450 CG2 THR A 27 2.648 -12.213 -3.719 1.00 0.00 C ATOM 0 H THR A 27 2.283 -15.999 -2.946 1.00 0.00 H new ATOM 0 HA THR A 27 3.753 -14.108 -4.659 1.00 0.00 H new ATOM 0 HB THR A 27 3.641 -13.198 -2.018 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.587 -13.275 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.205 -11.408 -3.132 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.581 -11.867 -4.163 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.958 -12.508 -4.509 1.00 0.00 H new ATOM 458 N LEU A 28 4.877 -15.763 -2.002 1.00 0.00 N ATOM 459 CA LEU A 28 6.067 -16.476 -1.504 1.00 0.00 C ATOM 460 C LEU A 28 6.939 -17.092 -2.626 1.00 0.00 C ATOM 461 O LEU A 28 8.144 -16.839 -2.655 1.00 0.00 O ATOM 462 CB LEU A 28 5.610 -17.512 -0.467 1.00 0.00 C ATOM 463 CG LEU A 28 6.680 -18.566 -0.091 1.00 0.00 C ATOM 464 CD1 LEU A 28 6.972 -18.564 1.403 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.224 -19.958 -0.513 1.00 0.00 C ATOM 0 H LEU A 28 4.046 -15.906 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 28 6.732 -15.754 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.301 -16.989 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.731 -18.028 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 28 7.595 -18.301 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.728 -19.317 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.339 -17.582 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.059 -18.792 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.986 -20.688 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.290 -20.204 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.069 -19.979 -1.592 1.00 0.00 H new ATOM 477 N ARG A 29 6.348 -17.833 -3.577 1.00 0.00 N ATOM 478 CA ARG A 29 7.053 -18.456 -4.726 1.00 0.00 C ATOM 479 C ARG A 29 7.712 -17.493 -5.736 1.00 0.00 C ATOM 480 O ARG A 29 8.225 -17.965 -6.744 1.00 0.00 O ATOM 481 CB ARG A 29 6.130 -19.479 -5.412 1.00 0.00 C ATOM 482 CG ARG A 29 4.900 -18.870 -6.100 1.00 0.00 C ATOM 483 CD ARG A 29 5.003 -18.600 -7.600 1.00 0.00 C ATOM 484 NE ARG A 29 3.749 -17.954 -8.032 1.00 0.00 N ATOM 485 CZ ARG A 29 2.632 -18.552 -8.403 1.00 0.00 C ATOM 486 NH1 ARG A 29 2.559 -19.835 -8.620 1.00 0.00 N ATOM 487 NH2 ARG A 29 1.544 -17.848 -8.527 1.00 0.00 N ATOM 0 H ARG A 29 5.346 -18.024 -3.575 1.00 0.00 H new ATOM 0 HA ARG A 29 7.916 -18.961 -4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.708 -20.031 -6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.793 -20.201 -4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.055 -19.538 -5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.666 -17.929 -5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.857 -17.957 -7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.160 -19.531 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 29 3.745 -16.934 -8.046 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.387 -20.420 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.674 -20.254 -8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.561 -16.846 -8.338 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.675 -18.299 -8.813 1.00 0.00 H new ATOM 501 N ALA A 30 7.707 -16.182 -5.496 1.00 0.00 N ATOM 502 CA ALA A 30 8.408 -15.183 -6.307 1.00 0.00 C ATOM 503 C ALA A 30 9.163 -14.116 -5.483 1.00 0.00 C ATOM 504 O ALA A 30 9.908 -13.337 -6.067 1.00 0.00 O ATOM 505 CB ALA A 30 7.387 -14.545 -7.260 1.00 0.00 C ATOM 0 H ALA A 30 7.201 -15.773 -4.710 1.00 0.00 H new ATOM 0 HA ALA A 30 9.193 -15.692 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.884 -13.796 -7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.956 -15.315 -7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.595 -14.071 -6.680 1.00 0.00 H new ATOM 511 N GLU A 31 9.028 -14.117 -4.147 1.00 0.00 N ATOM 512 CA GLU A 31 9.626 -13.102 -3.254 1.00 0.00 C ATOM 513 C GLU A 31 10.413 -13.694 -2.061 1.00 0.00 C ATOM 514 O GLU A 31 11.375 -13.085 -1.607 1.00 0.00 O ATOM 515 CB GLU A 31 8.523 -12.117 -2.815 1.00 0.00 C ATOM 516 CG GLU A 31 7.558 -12.676 -1.750 1.00 0.00 C ATOM 517 CD GLU A 31 6.188 -11.976 -1.694 1.00 0.00 C ATOM 518 OE1 GLU A 31 5.874 -11.103 -2.530 1.00 0.00 O ATOM 519 OE2 GLU A 31 5.385 -12.335 -0.803 1.00 0.00 O ATOM 0 H GLU A 31 8.495 -14.829 -3.648 1.00 0.00 H new ATOM 0 HA GLU A 31 10.388 -12.564 -3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.993 -11.215 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.946 -11.822 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.401 -13.737 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.032 -12.596 -0.772 1.00 0.00 H new ATOM 526 N GLN A 32 10.074 -14.921 -1.638 1.00 0.00 N ATOM 527 CA GLN A 32 10.732 -15.719 -0.581 1.00 0.00 C ATOM 528 C GLN A 32 11.316 -17.048 -1.129 1.00 0.00 C ATOM 529 O GLN A 32 12.031 -17.772 -0.436 1.00 0.00 O ATOM 530 CB GLN A 32 9.682 -16.096 0.482 1.00 0.00 C ATOM 531 CG GLN A 32 8.838 -14.977 1.116 1.00 0.00 C ATOM 532 CD GLN A 32 9.580 -14.104 2.120 1.00 0.00 C ATOM 533 OE1 GLN A 32 10.610 -13.514 1.849 1.00 0.00 O ATOM 534 NE2 GLN A 32 9.096 -14.010 3.335 1.00 0.00 N ATOM 0 H GLN A 32 9.283 -15.418 -2.048 1.00 0.00 H new ATOM 0 HA GLN A 32 11.541 -15.113 -0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.996 -16.812 0.029 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.200 -16.617 1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.449 -14.341 0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.979 -15.427 1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.234 -14.498 3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.581 -13.449 4.035 1.00 0.00 H new ATOM 543 N ALA A 33 10.920 -17.395 -2.360 1.00 0.00 N ATOM 544 CA ALA A 33 11.147 -18.608 -3.159 1.00 0.00 C ATOM 545 C ALA A 33 10.953 -20.005 -2.508 1.00 0.00 C ATOM 546 O ALA A 33 10.911 -20.993 -3.236 1.00 0.00 O ATOM 547 CB ALA A 33 12.489 -18.458 -3.888 1.00 0.00 C ATOM 0 H ALA A 33 10.352 -16.737 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 33 10.304 -18.641 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.679 -19.348 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.455 -17.583 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.288 -18.336 -3.157 1.00 0.00 H new ATOM 553 N SER A 34 10.783 -20.133 -1.188 1.00 0.00 N ATOM 554 CA SER A 34 10.686 -21.419 -0.463 1.00 0.00 C ATOM 555 C SER A 34 9.344 -22.173 -0.647 1.00 0.00 C ATOM 556 O SER A 34 8.661 -22.496 0.323 1.00 0.00 O ATOM 557 CB SER A 34 11.040 -21.219 1.020 1.00 0.00 C ATOM 558 OG SER A 34 11.468 -22.449 1.577 1.00 0.00 O ATOM 0 H SER A 34 10.706 -19.325 -0.570 1.00 0.00 H new ATOM 0 HA SER A 34 11.421 -22.080 -0.922 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.826 -20.470 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.173 -20.844 1.564 1.00 0.00 H new ATOM 0 HG SER A 34 11.077 -22.558 2.469 1.00 0.00 H new ATOM 564 N GLN A 35 8.946 -22.460 -1.895 1.00 0.00 N ATOM 565 CA GLN A 35 7.797 -23.318 -2.268 1.00 0.00 C ATOM 566 C GLN A 35 8.046 -24.822 -1.971 1.00 0.00 C ATOM 567 O GLN A 35 7.290 -25.696 -2.386 1.00 0.00 O ATOM 568 CB GLN A 35 7.504 -23.080 -3.773 1.00 0.00 C ATOM 569 CG GLN A 35 6.108 -23.526 -4.265 1.00 0.00 C ATOM 570 CD GLN A 35 6.123 -24.628 -5.328 1.00 0.00 C ATOM 571 OE1 GLN A 35 6.015 -24.396 -6.519 1.00 0.00 O ATOM 572 NE2 GLN A 35 6.260 -25.871 -4.928 1.00 0.00 N ATOM 0 H GLN A 35 9.432 -22.088 -2.711 1.00 0.00 H new ATOM 0 HA GLN A 35 6.935 -23.046 -1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.620 -22.017 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.259 -23.604 -4.358 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.531 -23.875 -3.409 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.586 -22.658 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.351 -26.080 -3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.275 -26.628 -5.611 1.00 0.00 H new ATOM 581 N GLU A 36 9.160 -25.139 -1.320 1.00 0.00 N ATOM 582 CA GLU A 36 9.721 -26.476 -1.123 1.00 0.00 C ATOM 583 C GLU A 36 9.050 -27.280 0.011 1.00 0.00 C ATOM 584 O GLU A 36 8.303 -26.735 0.818 1.00 0.00 O ATOM 585 CB GLU A 36 11.205 -26.223 -0.796 1.00 0.00 C ATOM 586 CG GLU A 36 12.165 -27.341 -1.213 1.00 0.00 C ATOM 587 CD GLU A 36 13.590 -27.046 -0.715 1.00 0.00 C ATOM 588 OE1 GLU A 36 13.959 -25.850 -0.626 1.00 0.00 O ATOM 589 OE2 GLU A 36 14.246 -28.000 -0.252 1.00 0.00 O ATOM 0 H GLU A 36 9.737 -24.420 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 36 9.562 -27.086 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.515 -25.299 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.302 -26.065 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.822 -28.292 -0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.167 -27.440 -2.298 1.00 0.00 H new ATOM 596 N VAL A 37 9.366 -28.581 0.122 1.00 0.00 N ATOM 597 CA VAL A 37 9.044 -29.392 1.325 1.00 0.00 C ATOM 598 C VAL A 37 9.692 -28.745 2.557 1.00 0.00 C ATOM 599 O VAL A 37 9.057 -28.601 3.598 1.00 0.00 O ATOM 600 CB VAL A 37 9.500 -30.859 1.156 1.00 0.00 C ATOM 601 CG1 VAL A 37 9.636 -31.630 2.477 1.00 0.00 C ATOM 602 CG2 VAL A 37 8.495 -31.601 0.266 1.00 0.00 C ATOM 0 H VAL A 37 9.848 -29.104 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 37 7.963 -29.413 1.460 1.00 0.00 H new ATOM 0 HB VAL A 37 10.493 -30.817 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.960 -32.650 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.372 -31.137 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.673 -31.651 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.812 -32.637 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.509 -31.576 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.448 -31.118 -0.710 1.00 0.00 H new ATOM 612 N LYS A 38 10.936 -28.277 2.403 1.00 0.00 N ATOM 613 CA LYS A 38 11.697 -27.407 3.283 1.00 0.00 C ATOM 614 C LYS A 38 11.089 -25.989 3.365 1.00 0.00 C ATOM 615 O LYS A 38 11.839 -25.015 3.279 1.00 0.00 O ATOM 616 CB LYS A 38 13.088 -27.386 2.631 1.00 0.00 C ATOM 617 CG LYS A 38 14.201 -26.899 3.546 1.00 0.00 C ATOM 618 CD LYS A 38 15.338 -26.187 2.786 1.00 0.00 C ATOM 619 CE LYS A 38 15.121 -24.677 2.554 1.00 0.00 C ATOM 620 NZ LYS A 38 14.002 -24.370 1.632 1.00 0.00 N ATOM 0 H LYS A 38 11.480 -28.527 1.577 1.00 0.00 H new ATOM 0 HA LYS A 38 11.710 -27.758 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.330 -28.391 2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.053 -26.747 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.783 -26.216 4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.612 -27.748 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.267 -26.325 3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.468 -26.673 1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.932 -24.195 3.513 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.038 -24.244 2.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.009 -23.356 1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.111 -24.923 0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.100 -24.615 2.087 1.00 0.00 H new ATOM 634 N ASN A 39 9.760 -25.840 3.428 1.00 0.00 N ATOM 635 CA ASN A 39 9.099 -24.534 3.374 1.00 0.00 C ATOM 636 C ASN A 39 9.689 -23.587 4.447 1.00 0.00 C ATOM 637 O ASN A 39 10.233 -22.538 4.096 1.00 0.00 O ATOM 638 CB ASN A 39 7.562 -24.707 3.358 1.00 0.00 C ATOM 639 CG ASN A 39 6.880 -24.761 4.705 1.00 0.00 C ATOM 640 OD1 ASN A 39 7.246 -25.511 5.590 1.00 0.00 O ATOM 641 ND2 ASN A 39 5.906 -23.910 4.910 1.00 0.00 N ATOM 0 H ASN A 39 9.114 -26.624 3.518 1.00 0.00 H new ATOM 0 HA ASN A 39 9.309 -24.023 2.435 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.131 -23.883 2.789 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.327 -25.624 2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.446 -23.871 5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.608 -23.286 4.160 1.00 0.00 H new ATOM 648 N ALA A 40 9.659 -24.039 5.707 1.00 0.00 N ATOM 649 CA ALA A 40 10.046 -23.392 6.967 1.00 0.00 C ATOM 650 C ALA A 40 11.444 -22.732 7.021 1.00 0.00 C ATOM 651 O ALA A 40 12.384 -23.239 7.630 1.00 0.00 O ATOM 652 CB ALA A 40 9.829 -24.412 8.095 1.00 0.00 C ATOM 0 H ALA A 40 9.321 -24.984 5.889 1.00 0.00 H new ATOM 0 HA ALA A 40 9.404 -22.519 7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.107 -23.964 9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.779 -24.705 8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.446 -25.292 7.914 1.00 0.00 H new ATOM 658 N MET A 41 11.564 -21.564 6.390 1.00 0.00 N ATOM 659 CA MET A 41 12.709 -20.640 6.490 1.00 0.00 C ATOM 660 C MET A 41 12.258 -19.164 6.426 1.00 0.00 C ATOM 661 O MET A 41 13.059 -18.271 6.175 1.00 0.00 O ATOM 662 CB MET A 41 13.788 -20.989 5.444 1.00 0.00 C ATOM 663 CG MET A 41 13.256 -21.129 4.013 1.00 0.00 C ATOM 664 SD MET A 41 14.537 -21.176 2.725 1.00 0.00 S ATOM 665 CE MET A 41 14.776 -19.390 2.505 1.00 0.00 C ATOM 0 H MET A 41 10.837 -21.215 5.766 1.00 0.00 H new ATOM 0 HA MET A 41 13.168 -20.768 7.470 1.00 0.00 H new ATOM 0 HB2 MET A 41 14.556 -20.216 5.460 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.270 -21.923 5.733 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.662 -22.041 3.949 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.584 -20.296 3.807 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.536 -19.216 1.743 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.837 -18.933 2.192 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.099 -18.947 3.447 1.00 0.00 H new ATOM 675 N THR A 42 10.960 -18.932 6.638 1.00 0.00 N ATOM 676 CA THR A 42 10.189 -17.673 6.583 1.00 0.00 C ATOM 677 C THR A 42 8.961 -17.797 7.503 1.00 0.00 C ATOM 678 O THR A 42 8.792 -18.818 8.161 1.00 0.00 O ATOM 679 CB THR A 42 9.729 -17.395 5.128 1.00 0.00 C ATOM 680 OG1 THR A 42 9.512 -18.575 4.390 1.00 0.00 O ATOM 681 CG2 THR A 42 10.830 -16.668 4.375 1.00 0.00 C ATOM 0 H THR A 42 10.346 -19.710 6.881 1.00 0.00 H new ATOM 0 HA THR A 42 10.817 -16.846 6.916 1.00 0.00 H new ATOM 0 HB THR A 42 8.806 -16.822 5.215 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.223 -18.345 3.482 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.505 -16.474 3.353 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.048 -15.723 4.872 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.728 -17.285 4.359 1.00 0.00 H new ATOM 689 N GLU A 43 8.066 -16.804 7.522 1.00 0.00 N ATOM 690 CA GLU A 43 6.721 -16.864 8.140 1.00 0.00 C ATOM 691 C GLU A 43 5.874 -18.091 7.721 1.00 0.00 C ATOM 692 O GLU A 43 4.926 -18.466 8.407 1.00 0.00 O ATOM 693 CB GLU A 43 5.961 -15.554 7.811 1.00 0.00 C ATOM 694 CG GLU A 43 5.677 -15.287 6.329 1.00 0.00 C ATOM 695 CD GLU A 43 6.904 -15.052 5.437 1.00 0.00 C ATOM 696 OE1 GLU A 43 7.927 -14.544 5.943 1.00 0.00 O ATOM 697 OE2 GLU A 43 6.875 -15.476 4.260 1.00 0.00 O ATOM 0 H GLU A 43 8.258 -15.899 7.093 1.00 0.00 H new ATOM 0 HA GLU A 43 6.875 -16.975 9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.011 -15.567 8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.537 -14.716 8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.119 -16.134 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.028 -14.414 6.256 1.00 0.00 H new ATOM 704 N THR A 44 6.221 -18.683 6.577 1.00 0.00 N ATOM 705 CA THR A 44 5.618 -19.831 5.878 1.00 0.00 C ATOM 706 C THR A 44 5.147 -21.011 6.737 1.00 0.00 C ATOM 707 O THR A 44 5.904 -21.619 7.486 1.00 0.00 O ATOM 708 CB THR A 44 6.583 -20.279 4.772 1.00 0.00 C ATOM 709 OG1 THR A 44 6.023 -21.207 3.867 1.00 0.00 O ATOM 710 CG2 THR A 44 7.856 -20.924 5.286 1.00 0.00 C ATOM 0 H THR A 44 7.023 -18.333 6.054 1.00 0.00 H new ATOM 0 HA THR A 44 4.674 -19.467 5.473 1.00 0.00 H new ATOM 0 HB THR A 44 6.805 -19.336 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.690 -21.447 3.190 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.484 -21.212 4.443 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.395 -20.215 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.605 -21.809 5.871 1.00 0.00 H new ATOM 718 N LEU A 45 3.883 -21.410 6.528 1.00 0.00 N ATOM 719 CA LEU A 45 3.147 -22.300 7.417 1.00 0.00 C ATOM 720 C LEU A 45 2.149 -23.284 6.752 1.00 0.00 C ATOM 721 O LEU A 45 1.125 -23.594 7.352 1.00 0.00 O ATOM 722 CB LEU A 45 2.477 -21.365 8.438 1.00 0.00 C ATOM 723 CG LEU A 45 1.391 -20.429 7.866 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.770 -19.673 9.024 1.00 0.00 C ATOM 725 CD2 LEU A 45 1.821 -19.350 6.864 1.00 0.00 C ATOM 0 H LEU A 45 3.340 -21.113 5.718 1.00 0.00 H new ATOM 0 HA LEU A 45 3.842 -23.007 7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.031 -21.974 9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.249 -20.754 8.907 1.00 0.00 H new ATOM 0 HG LEU A 45 0.737 -21.107 7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.003 -19.002 8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.327 -20.381 9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.539 -19.092 9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.949 -18.774 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.546 -18.686 7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.273 -19.823 5.992 1.00 0.00 H new ATOM 737 N LEU A 46 2.381 -23.720 5.505 1.00 0.00 N ATOM 738 CA LEU A 46 1.532 -24.673 4.749 1.00 0.00 C ATOM 739 C LEU A 46 2.195 -25.114 3.417 1.00 0.00 C ATOM 740 O LEU A 46 3.330 -24.724 3.154 1.00 0.00 O ATOM 741 CB LEU A 46 0.093 -24.120 4.540 1.00 0.00 C ATOM 742 CG LEU A 46 -0.126 -22.758 3.852 1.00 0.00 C ATOM 743 CD1 LEU A 46 -0.184 -21.588 4.813 1.00 0.00 C ATOM 744 CD2 LEU A 46 0.913 -22.388 2.794 1.00 0.00 C ATOM 0 H LEU A 46 3.193 -23.412 4.970 1.00 0.00 H new ATOM 0 HA LEU A 46 1.438 -25.572 5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.458 -24.864 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.377 -24.064 5.522 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.092 -22.919 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.340 -20.665 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.007 -21.732 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.754 -21.524 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.670 -21.414 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.901 -22.348 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.910 -23.138 2.003 1.00 0.00 H new ATOM 756 N VAL A 47 1.477 -25.879 2.567 1.00 0.00 N ATOM 757 CA VAL A 47 1.853 -26.329 1.210 1.00 0.00 C ATOM 758 C VAL A 47 0.613 -26.448 0.304 1.00 0.00 C ATOM 759 O VAL A 47 -0.391 -27.026 0.725 1.00 0.00 O ATOM 760 CB VAL A 47 2.494 -27.740 1.228 1.00 0.00 C ATOM 761 CG1 VAL A 47 3.418 -27.880 0.025 1.00 0.00 C ATOM 762 CG2 VAL A 47 3.266 -28.081 2.497 1.00 0.00 C ATOM 0 H VAL A 47 0.553 -26.223 2.830 1.00 0.00 H new ATOM 0 HA VAL A 47 2.557 -25.584 0.838 1.00 0.00 H new ATOM 0 HB VAL A 47 1.664 -28.446 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.874 -28.870 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.844 -27.749 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.199 -27.121 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.676 -29.087 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.079 -27.368 2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.595 -28.032 3.355 1.00 0.00 H new ATOM 772 N GLN A 48 0.679 -25.994 -0.956 1.00 0.00 N ATOM 773 CA GLN A 48 -0.385 -26.200 -1.961 1.00 0.00 C ATOM 774 C GLN A 48 -0.725 -27.688 -2.157 1.00 0.00 C ATOM 775 O GLN A 48 -1.887 -28.092 -2.005 1.00 0.00 O ATOM 776 CB GLN A 48 0.030 -25.548 -3.292 1.00 0.00 C ATOM 777 CG GLN A 48 -0.015 -24.016 -3.204 1.00 0.00 C ATOM 778 CD GLN A 48 0.548 -23.353 -4.462 1.00 0.00 C ATOM 779 OE1 GLN A 48 1.734 -23.423 -4.740 1.00 0.00 O ATOM 780 NE2 GLN A 48 -0.236 -22.670 -5.260 1.00 0.00 N ATOM 0 H GLN A 48 1.477 -25.469 -1.313 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.293 -25.723 -1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.037 -25.869 -3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.633 -25.888 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.045 -23.692 -3.053 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.554 -23.686 -2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.232 -22.594 -5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.150 -22.215 -6.087 1.00 0.00 H new ATOM 789 N ASN A 49 0.315 -28.495 -2.405 1.00 0.00 N ATOM 790 CA ASN A 49 0.253 -29.938 -2.681 1.00 0.00 C ATOM 791 C ASN A 49 -0.218 -30.801 -1.486 1.00 0.00 C ATOM 792 O ASN A 49 -0.248 -32.025 -1.566 1.00 0.00 O ATOM 793 CB ASN A 49 1.607 -30.396 -3.253 1.00 0.00 C ATOM 794 CG ASN A 49 1.502 -31.764 -3.912 1.00 0.00 C ATOM 795 OD1 ASN A 49 0.794 -31.953 -4.887 1.00 0.00 O ATOM 796 ND2 ASN A 49 2.189 -32.747 -3.388 1.00 0.00 N ATOM 0 H ASN A 49 1.272 -28.142 -2.419 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.527 -30.098 -3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.960 -29.666 -3.982 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.347 -30.432 -2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.135 -33.681 -3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.778 -32.579 -2.573 1.00 0.00 H new ATOM 803 N ALA A 50 -0.614 -30.183 -0.369 1.00 0.00 N ATOM 804 CA ALA A 50 -1.335 -30.867 0.694 1.00 0.00 C ATOM 805 C ALA A 50 -2.548 -31.636 0.117 1.00 0.00 C ATOM 806 O ALA A 50 -3.191 -31.198 -0.841 1.00 0.00 O ATOM 807 CB ALA A 50 -1.729 -29.801 1.721 1.00 0.00 C ATOM 0 H ALA A 50 -0.441 -29.195 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.719 -31.622 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.274 -30.269 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.831 -29.321 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.362 -29.053 1.244 1.00 0.00 H new ATOM 813 N ASN A 51 -2.905 -32.756 0.724 1.00 0.00 N ATOM 814 CA ASN A 51 -3.940 -33.690 0.268 1.00 0.00 C ATOM 815 C ASN A 51 -5.206 -33.516 1.148 1.00 0.00 C ATOM 816 O ASN A 51 -5.146 -32.727 2.100 1.00 0.00 O ATOM 817 CB ASN A 51 -3.285 -35.093 0.207 1.00 0.00 C ATOM 818 CG ASN A 51 -2.565 -35.562 1.462 1.00 0.00 C ATOM 819 OD1 ASN A 51 -2.589 -34.944 2.518 1.00 0.00 O ATOM 820 ND2 ASN A 51 -1.812 -36.627 1.342 1.00 0.00 N ATOM 0 H ASN A 51 -2.463 -33.060 1.592 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.315 -33.502 -0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.060 -35.821 -0.034 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.573 -35.101 -0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.245 -36.942 2.129 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.793 -37.141 0.461 1.00 0.00 H new ATOM 827 N PRO A 52 -6.381 -34.119 0.859 1.00 0.00 N ATOM 828 CA PRO A 52 -7.557 -33.903 1.714 1.00 0.00 C ATOM 829 C PRO A 52 -7.290 -34.275 3.180 1.00 0.00 C ATOM 830 O PRO A 52 -7.886 -33.676 4.074 1.00 0.00 O ATOM 831 CB PRO A 52 -8.695 -34.721 1.095 1.00 0.00 C ATOM 832 CG PRO A 52 -7.979 -35.756 0.230 1.00 0.00 C ATOM 833 CD PRO A 52 -6.719 -35.025 -0.231 1.00 0.00 C ATOM 0 HA PRO A 52 -7.822 -32.846 1.750 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.307 -35.196 1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.359 -34.094 0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.737 -36.655 0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.594 -36.068 -0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.907 -35.725 -0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.898 -34.478 -1.157 1.00 0.00 H new ATOM 841 N ASP A 53 -6.350 -35.196 3.393 1.00 0.00 N ATOM 842 CA ASP A 53 -5.840 -35.711 4.655 1.00 0.00 C ATOM 843 C ASP A 53 -5.306 -34.598 5.567 1.00 0.00 C ATOM 844 O ASP A 53 -5.987 -34.258 6.533 1.00 0.00 O ATOM 845 CB ASP A 53 -4.774 -36.789 4.372 1.00 0.00 C ATOM 846 CG ASP A 53 -5.144 -37.697 3.191 1.00 0.00 C ATOM 847 OD1 ASP A 53 -5.082 -37.207 2.031 1.00 0.00 O ATOM 848 OD2 ASP A 53 -5.525 -38.851 3.468 1.00 0.00 O ATOM 0 H ASP A 53 -5.883 -35.642 2.604 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.665 -36.167 5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.820 -36.304 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.636 -37.400 5.264 1.00 0.00 H new ATOM 853 N CYS A 54 -4.152 -33.960 5.276 1.00 0.00 N ATOM 854 CA CYS A 54 -3.666 -32.874 6.145 1.00 0.00 C ATOM 855 C CYS A 54 -4.702 -31.764 6.281 1.00 0.00 C ATOM 856 O CYS A 54 -5.093 -31.401 7.382 1.00 0.00 O ATOM 857 CB CYS A 54 -2.328 -32.240 5.716 1.00 0.00 C ATOM 858 SG CYS A 54 -1.896 -32.339 3.964 1.00 0.00 S ATOM 0 H CYS A 54 -3.559 -34.170 4.473 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.492 -33.368 7.101 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.345 -31.188 6.002 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.530 -32.713 6.289 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.092 -33.551 3.537 1.00 0.00 H new ATOM 864 N LYS A 55 -5.162 -31.230 5.159 1.00 0.00 N ATOM 865 CA LYS A 55 -6.163 -30.155 5.107 1.00 0.00 C ATOM 866 C LYS A 55 -7.335 -30.352 6.088 1.00 0.00 C ATOM 867 O LYS A 55 -7.617 -29.430 6.848 1.00 0.00 O ATOM 868 CB LYS A 55 -6.633 -30.078 3.656 1.00 0.00 C ATOM 869 CG LYS A 55 -5.676 -29.211 2.793 1.00 0.00 C ATOM 870 CD LYS A 55 -5.488 -29.602 1.311 1.00 0.00 C ATOM 871 CE LYS A 55 -4.814 -28.448 0.534 1.00 0.00 C ATOM 872 NZ LYS A 55 -4.453 -28.812 -0.865 1.00 0.00 N ATOM 0 H LYS A 55 -4.849 -31.532 4.237 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.713 -29.216 5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.692 -31.083 3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.638 -29.658 3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.036 -28.183 2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.695 -29.220 3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.878 -30.503 1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.454 -29.835 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.486 -27.590 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.914 -28.138 1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.558 -28.349 -1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.343 -29.844 -0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.205 -28.497 -1.511 1.00 0.00 H new ATOM 886 N THR A 56 -7.955 -31.536 6.102 1.00 0.00 N ATOM 887 CA THR A 56 -9.047 -31.911 7.020 1.00 0.00 C ATOM 888 C THR A 56 -8.557 -32.180 8.451 1.00 0.00 C ATOM 889 O THR A 56 -9.343 -32.070 9.388 1.00 0.00 O ATOM 890 CB THR A 56 -9.826 -33.138 6.498 1.00 0.00 C ATOM 891 OG1 THR A 56 -10.210 -32.935 5.155 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.123 -33.429 7.255 1.00 0.00 C ATOM 0 H THR A 56 -7.707 -32.286 5.457 1.00 0.00 H new ATOM 0 HA THR A 56 -9.715 -31.050 7.055 1.00 0.00 H new ATOM 0 HB THR A 56 -9.139 -33.973 6.630 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.497 -33.249 4.560 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.607 -34.306 6.824 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.897 -33.618 8.304 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.791 -32.571 7.176 1.00 0.00 H new ATOM 900 N ILE A 57 -7.268 -32.479 8.643 1.00 0.00 N ATOM 901 CA ILE A 57 -6.677 -32.677 9.994 1.00 0.00 C ATOM 902 C ILE A 57 -6.298 -31.352 10.670 1.00 0.00 C ATOM 903 O ILE A 57 -6.870 -31.009 11.705 1.00 0.00 O ATOM 904 CB ILE A 57 -5.464 -33.633 9.956 1.00 0.00 C ATOM 905 CG1 ILE A 57 -5.927 -35.064 9.612 1.00 0.00 C ATOM 906 CG2 ILE A 57 -4.695 -33.661 11.298 1.00 0.00 C ATOM 907 CD1 ILE A 57 -4.782 -35.885 9.021 1.00 0.00 C ATOM 0 H ILE A 57 -6.600 -32.592 7.881 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.457 -33.141 10.598 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.788 -33.258 9.187 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.304 -35.553 10.510 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.753 -35.022 8.902 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.852 -34.347 11.220 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.328 -32.661 11.528 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.362 -33.995 12.093 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.137 -36.889 8.788 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.424 -35.406 8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.968 -35.946 9.743 1.00 0.00 H new ATOM 919 N LEU A 58 -5.365 -30.573 10.101 1.00 0.00 N ATOM 920 CA LEU A 58 -4.926 -29.297 10.681 1.00 0.00 C ATOM 921 C LEU A 58 -6.089 -28.300 10.792 1.00 0.00 C ATOM 922 O LEU A 58 -6.057 -27.429 11.658 1.00 0.00 O ATOM 923 CB LEU A 58 -3.714 -28.694 9.948 1.00 0.00 C ATOM 924 CG LEU A 58 -2.517 -29.662 9.819 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.611 -30.530 8.571 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.191 -28.922 9.687 1.00 0.00 C ATOM 0 H LEU A 58 -4.895 -30.811 9.227 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.585 -29.515 11.693 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.024 -28.380 8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.389 -27.799 10.478 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.554 -30.262 10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.748 -31.194 8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.524 -31.124 8.609 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.629 -29.894 7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.379 -29.644 9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.213 -28.291 8.799 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.031 -28.302 10.569 1.00 0.00 H new ATOM 938 N LYS A 59 -7.159 -28.520 10.009 1.00 0.00 N ATOM 939 CA LYS A 59 -8.491 -27.898 10.184 1.00 0.00 C ATOM 940 C LYS A 59 -8.985 -27.822 11.643 1.00 0.00 C ATOM 941 O LYS A 59 -9.694 -26.886 12.004 1.00 0.00 O ATOM 942 CB LYS A 59 -9.506 -28.685 9.349 1.00 0.00 C ATOM 943 CG LYS A 59 -10.028 -27.908 8.140 1.00 0.00 C ATOM 944 CD LYS A 59 -11.496 -27.508 8.330 1.00 0.00 C ATOM 945 CE LYS A 59 -11.872 -26.413 7.336 1.00 0.00 C ATOM 946 NZ LYS A 59 -11.393 -25.110 7.832 1.00 0.00 N ATOM 0 H LYS A 59 -7.124 -29.154 9.211 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.394 -26.864 9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.043 -29.610 9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.347 -28.966 9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.422 -27.015 7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.928 -28.517 7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.139 -28.376 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.657 -27.156 9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.433 -26.626 6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.953 -26.387 7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.159 -24.496 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.137 -24.662 8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.545 -25.252 8.417 1.00 0.00 H new ATOM 960 N ALA A 60 -8.580 -28.791 12.463 1.00 0.00 N ATOM 961 CA ALA A 60 -8.819 -28.857 13.907 1.00 0.00 C ATOM 962 C ALA A 60 -7.527 -29.050 14.737 1.00 0.00 C ATOM 963 O ALA A 60 -7.589 -29.083 15.963 1.00 0.00 O ATOM 964 CB ALA A 60 -9.841 -29.972 14.170 1.00 0.00 C ATOM 0 H ALA A 60 -8.049 -29.593 12.122 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.215 -27.897 14.238 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.036 -30.042 15.240 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.769 -29.746 13.646 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.444 -30.922 13.811 1.00 0.00 H new ATOM 970 N LEU A 61 -6.353 -29.131 14.095 1.00 0.00 N ATOM 971 CA LEU A 61 -5.065 -29.461 14.714 1.00 0.00 C ATOM 972 C LEU A 61 -4.000 -28.374 14.475 1.00 0.00 C ATOM 973 O LEU A 61 -2.829 -28.660 14.237 1.00 0.00 O ATOM 974 CB LEU A 61 -4.655 -30.889 14.294 1.00 0.00 C ATOM 975 CG LEU A 61 -4.325 -31.786 15.505 1.00 0.00 C ATOM 976 CD1 LEU A 61 -4.259 -33.251 15.081 1.00 0.00 C ATOM 977 CD2 LEU A 61 -3.004 -31.421 16.184 1.00 0.00 C ATOM 0 H LEU A 61 -6.273 -28.962 13.092 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.166 -29.468 15.799 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.463 -31.342 13.719 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.787 -30.836 13.637 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.129 -31.624 16.223 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.025 -33.870 15.947 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.221 -33.554 14.667 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.484 -33.376 14.325 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.832 -32.090 17.027 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.188 -31.521 15.469 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.050 -30.392 16.540 1.00 0.00 H new ATOM 989 N GLY A 62 -4.402 -27.108 14.624 1.00 0.00 N ATOM 990 CA GLY A 62 -3.513 -25.940 14.655 1.00 0.00 C ATOM 991 C GLY A 62 -3.256 -25.349 16.054 1.00 0.00 C ATOM 992 O GLY A 62 -3.443 -24.142 16.217 1.00 0.00 O ATOM 0 H GLY A 62 -5.385 -26.859 14.730 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.556 -26.220 14.215 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.939 -25.162 14.022 1.00 0.00 H new ATOM 996 N PRO A 63 -2.810 -26.114 17.081 1.00 0.00 N ATOM 997 CA PRO A 63 -2.459 -25.593 18.410 1.00 0.00 C ATOM 998 C PRO A 63 -1.087 -24.883 18.401 1.00 0.00 C ATOM 999 O PRO A 63 -0.241 -25.132 19.255 1.00 0.00 O ATOM 1000 CB PRO A 63 -2.485 -26.827 19.323 1.00 0.00 C ATOM 1001 CG PRO A 63 -1.888 -27.897 18.415 1.00 0.00 C ATOM 1002 CD PRO A 63 -2.501 -27.541 17.062 1.00 0.00 C ATOM 0 HA PRO A 63 -3.153 -24.827 18.756 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.893 -26.680 20.226 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.496 -27.079 19.642 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.799 -27.854 18.394 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.161 -28.903 18.735 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.807 -27.772 16.254 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.403 -28.126 16.884 1.00 0.00 H new ATOM 1010 N ALA A 64 -0.822 -24.068 17.376 1.00 0.00 N ATOM 1011 CA ALA A 64 0.390 -23.255 17.196 1.00 0.00 C ATOM 1012 C ALA A 64 1.765 -23.978 17.207 1.00 0.00 C ATOM 1013 O ALA A 64 2.778 -23.291 17.147 1.00 0.00 O ATOM 1014 CB ALA A 64 0.327 -22.066 18.170 1.00 0.00 C ATOM 0 H ALA A 64 -1.481 -23.949 16.607 1.00 0.00 H new ATOM 0 HA ALA A 64 0.363 -22.921 16.159 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.219 -21.451 18.051 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.558 -21.467 17.956 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.276 -22.437 19.194 1.00 0.00 H new ATOM 1020 N ALA A 65 1.820 -25.318 17.208 1.00 0.00 N ATOM 1021 CA ALA A 65 3.071 -26.081 17.070 1.00 0.00 C ATOM 1022 C ALA A 65 2.946 -27.279 16.109 1.00 0.00 C ATOM 1023 O ALA A 65 3.623 -27.317 15.090 1.00 0.00 O ATOM 1024 CB ALA A 65 3.532 -26.513 18.468 1.00 0.00 C ATOM 0 H ALA A 65 0.993 -25.907 17.305 1.00 0.00 H new ATOM 0 HA ALA A 65 3.823 -25.436 16.615 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.459 -27.081 18.386 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.700 -25.630 19.085 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.765 -27.136 18.928 1.00 0.00 H new ATOM 1030 N THR A 66 2.029 -28.228 16.343 1.00 0.00 N ATOM 1031 CA THR A 66 1.946 -29.481 15.551 1.00 0.00 C ATOM 1032 C THR A 66 1.754 -29.293 14.041 1.00 0.00 C ATOM 1033 O THR A 66 2.013 -30.190 13.253 1.00 0.00 O ATOM 1034 CB THR A 66 0.824 -30.400 16.060 1.00 0.00 C ATOM 1035 OG1 THR A 66 0.605 -30.223 17.443 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.161 -31.873 15.846 1.00 0.00 C ATOM 0 H THR A 66 1.326 -28.158 17.078 1.00 0.00 H new ATOM 0 HA THR A 66 2.927 -29.933 15.698 1.00 0.00 H new ATOM 0 HB THR A 66 -0.066 -30.130 15.491 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.115 -30.819 17.739 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.344 -32.491 16.218 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.304 -32.063 14.782 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.076 -32.119 16.384 1.00 0.00 H new ATOM 1044 N LEU A 67 1.337 -28.116 13.587 1.00 0.00 N ATOM 1045 CA LEU A 67 1.247 -27.807 12.161 1.00 0.00 C ATOM 1046 C LEU A 67 2.566 -28.041 11.430 1.00 0.00 C ATOM 1047 O LEU A 67 2.571 -28.633 10.357 1.00 0.00 O ATOM 1048 CB LEU A 67 0.798 -26.353 12.070 1.00 0.00 C ATOM 1049 CG LEU A 67 0.375 -25.732 10.717 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.582 -24.222 10.824 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.158 -26.216 9.514 1.00 0.00 C ATOM 0 H LEU A 67 1.052 -27.349 14.195 1.00 0.00 H new ATOM 0 HA LEU A 67 0.536 -28.471 11.669 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.044 -26.236 12.752 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.612 -25.743 12.461 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.660 -26.031 10.549 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.294 -23.748 9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.031 -23.827 11.634 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.632 -24.012 11.029 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.787 -25.723 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.214 -25.979 9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.038 -27.295 9.412 1.00 0.00 H new ATOM 1063 N GLU A 68 3.670 -27.593 12.014 1.00 0.00 N ATOM 1064 CA GLU A 68 5.005 -27.695 11.406 1.00 0.00 C ATOM 1065 C GLU A 68 5.335 -29.110 10.920 1.00 0.00 C ATOM 1066 O GLU A 68 5.980 -29.269 9.884 1.00 0.00 O ATOM 1067 CB GLU A 68 6.086 -27.234 12.397 1.00 0.00 C ATOM 1068 CG GLU A 68 5.797 -25.845 12.957 1.00 0.00 C ATOM 1069 CD GLU A 68 6.924 -25.369 13.885 1.00 0.00 C ATOM 1070 OE1 GLU A 68 7.883 -24.766 13.353 1.00 0.00 O ATOM 1071 OE2 GLU A 68 6.816 -25.610 15.110 1.00 0.00 O ATOM 0 H GLU A 68 3.672 -27.144 12.930 1.00 0.00 H new ATOM 0 HA GLU A 68 4.992 -27.042 10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.153 -27.948 13.218 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.055 -27.229 11.899 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.677 -25.138 12.136 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.855 -25.861 13.505 1.00 0.00 H new ATOM 1078 N GLU A 69 4.815 -30.131 11.606 1.00 0.00 N ATOM 1079 CA GLU A 69 4.861 -31.493 11.066 1.00 0.00 C ATOM 1080 C GLU A 69 3.731 -31.762 10.062 1.00 0.00 C ATOM 1081 O GLU A 69 4.009 -32.188 8.935 1.00 0.00 O ATOM 1082 CB GLU A 69 4.923 -32.558 12.173 1.00 0.00 C ATOM 1083 CG GLU A 69 3.788 -32.549 13.195 1.00 0.00 C ATOM 1084 CD GLU A 69 3.643 -33.877 13.947 1.00 0.00 C ATOM 1085 OE1 GLU A 69 4.547 -34.192 14.754 1.00 0.00 O ATOM 1086 OE2 GLU A 69 2.608 -34.545 13.709 1.00 0.00 O ATOM 0 H GLU A 69 4.366 -30.045 12.518 1.00 0.00 H new ATOM 0 HA GLU A 69 5.794 -31.572 10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.948 -33.540 11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.865 -32.438 12.709 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.961 -31.749 13.914 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.851 -32.323 12.686 1.00 0.00 H new ATOM 1093 N MET A 70 2.462 -31.480 10.400 1.00 0.00 N ATOM 1094 CA MET A 70 1.329 -31.951 9.566 1.00 0.00 C ATOM 1095 C MET A 70 1.199 -31.272 8.192 1.00 0.00 C ATOM 1096 O MET A 70 0.608 -31.836 7.268 1.00 0.00 O ATOM 1097 CB MET A 70 0.019 -32.277 10.292 1.00 0.00 C ATOM 1098 CG MET A 70 0.042 -31.890 11.742 1.00 0.00 C ATOM 1099 SD MET A 70 -1.391 -32.428 12.700 1.00 0.00 S ATOM 1100 CE MET A 70 -0.844 -34.117 13.083 1.00 0.00 C ATOM 0 H MET A 70 2.192 -30.942 11.223 1.00 0.00 H new ATOM 0 HA MET A 70 1.653 -32.958 9.303 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.803 -31.761 9.797 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.180 -33.346 10.210 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.941 -32.304 12.198 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.120 -30.805 11.811 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.614 -34.626 13.663 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.669 -34.662 12.155 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.079 -34.078 13.661 1.00 0.00 H new ATOM 1110 N MET A 71 1.832 -30.101 8.047 1.00 0.00 N ATOM 1111 CA MET A 71 2.073 -29.349 6.811 1.00 0.00 C ATOM 1112 C MET A 71 2.470 -30.291 5.662 1.00 0.00 C ATOM 1113 O MET A 71 1.790 -30.345 4.635 1.00 0.00 O ATOM 1114 CB MET A 71 3.139 -28.276 7.150 1.00 0.00 C ATOM 1115 CG MET A 71 3.800 -27.561 5.966 1.00 0.00 C ATOM 1116 SD MET A 71 5.211 -28.404 5.205 1.00 0.00 S ATOM 1117 CE MET A 71 6.409 -28.437 6.571 1.00 0.00 C ATOM 0 H MET A 71 2.220 -29.617 8.857 1.00 0.00 H new ATOM 0 HA MET A 71 1.174 -28.851 6.449 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.673 -27.522 7.785 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.923 -28.750 7.741 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.043 -27.400 5.198 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.129 -26.577 6.301 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.412 -28.589 6.172 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.373 -27.490 7.110 1.00 0.00 H new ATOM 0 HE3 MET A 71 6.162 -29.251 7.252 1.00 0.00 H new ATOM 1127 N THR A 72 3.495 -31.117 5.892 1.00 0.00 N ATOM 1128 CA THR A 72 3.953 -32.157 4.953 1.00 0.00 C ATOM 1129 C THR A 72 3.710 -33.585 5.412 1.00 0.00 C ATOM 1130 O THR A 72 3.577 -34.448 4.542 1.00 0.00 O ATOM 1131 CB THR A 72 5.454 -32.044 4.683 1.00 0.00 C ATOM 1132 OG1 THR A 72 5.707 -30.990 3.782 1.00 0.00 O ATOM 1133 CG2 THR A 72 6.173 -33.230 4.027 1.00 0.00 C ATOM 0 H THR A 72 4.043 -31.085 6.752 1.00 0.00 H new ATOM 0 HA THR A 72 3.355 -31.969 4.061 1.00 0.00 H new ATOM 0 HB THR A 72 5.834 -31.931 5.698 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.673 -30.135 4.261 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.230 -32.992 3.904 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.071 -34.112 4.659 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.730 -33.429 3.051 1.00 0.00 H new ATOM 1141 N ALA A 73 3.644 -33.888 6.715 1.00 0.00 N ATOM 1142 CA ALA A 73 3.629 -35.285 7.187 1.00 0.00 C ATOM 1143 C ALA A 73 2.496 -36.120 6.565 1.00 0.00 C ATOM 1144 O ALA A 73 2.614 -37.338 6.433 1.00 0.00 O ATOM 1145 CB ALA A 73 3.577 -35.321 8.719 1.00 0.00 C ATOM 0 H ALA A 73 3.600 -33.192 7.459 1.00 0.00 H new ATOM 0 HA ALA A 73 4.556 -35.750 6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.566 -36.357 9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.453 -34.815 9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.675 -34.817 9.064 1.00 0.00 H new ATOM 1151 N CYS A 74 1.452 -35.431 6.092 1.00 0.00 N ATOM 1152 CA CYS A 74 0.350 -36.070 5.363 1.00 0.00 C ATOM 1153 C CYS A 74 0.542 -36.127 3.834 1.00 0.00 C ATOM 1154 O CYS A 74 0.210 -37.163 3.267 1.00 0.00 O ATOM 1155 CB CYS A 74 -0.982 -35.411 5.712 1.00 0.00 C ATOM 1156 SG CYS A 74 -1.326 -35.512 7.495 1.00 0.00 S ATOM 0 H CYS A 74 1.347 -34.422 6.202 1.00 0.00 H new ATOM 0 HA CYS A 74 0.347 -37.108 5.696 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.965 -34.366 5.402 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.786 -35.895 5.157 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.646 -34.334 7.943 1.00 0.00 H new ATOM 1162 N GLN A 75 1.122 -35.128 3.136 1.00 0.00 N ATOM 1163 CA GLN A 75 1.460 -35.307 1.706 1.00 0.00 C ATOM 1164 C GLN A 75 2.517 -36.410 1.499 1.00 0.00 C ATOM 1165 O GLN A 75 2.594 -37.010 0.432 1.00 0.00 O ATOM 1166 CB GLN A 75 1.851 -33.991 1.004 1.00 0.00 C ATOM 1167 CG GLN A 75 3.272 -33.484 1.303 1.00 0.00 C ATOM 1168 CD GLN A 75 3.730 -32.316 0.425 1.00 0.00 C ATOM 1169 OE1 GLN A 75 3.282 -32.107 -0.695 1.00 0.00 O ATOM 1170 NE2 GLN A 75 4.666 -31.510 0.880 1.00 0.00 N ATOM 0 H GLN A 75 1.361 -34.215 3.523 1.00 0.00 H new ATOM 0 HA GLN A 75 0.543 -35.641 1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.751 -34.129 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.139 -33.218 1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.322 -33.177 2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.972 -34.310 1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.059 -31.658 1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.998 -30.737 0.303 1.00 0.00 H new