USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 804 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 9 ASN : amide:sc= -0.524 X(o=-0.52,f=-0.88!) USER MOD Single : A 17 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.9!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -27:sc= 0.797 USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 35 MET CE :methyl -172:sc= -3.82! (180deg=-4.23!) USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.176 USER MOD Single : A 38 ASN : amide:sc= -0.975 K(o=-0.98,f=-7.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 30:sc= 0.817 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0347 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0756) USER MOD Single : A 61 ASN : amide:sc= -0.089 K(o=-0.089,f=-0.91) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.438 F(o=-1.4,f=-0.44) USER MOD Single : A 106 GLN : amide:sc= -0.418 K(o=-0.42,f=-2.8!) USER MOD Single : A 109 ASN : amide:sc= 1.44 K(o=1.4,f=-0.84) USER MOD Single : A 110 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0655) USER MOD Single : A 114 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-1.7) USER MOD Single : A 118 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.76) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 124 HIS :FLIP no HE2:sc= -0.122 F(o=-1.2,f=-0.12) USER MOD Single : A 125 MET CE :methyl 179:sc= -0.0491 (180deg=-0.0545) USER MOD Single : A 128 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -22.275 -11.380 -11.545 1.00 0.00 N ATOM 78 CA ASN A 9 -21.831 -10.692 -10.345 1.00 0.00 C ATOM 79 C ASN A 9 -20.459 -10.064 -10.599 1.00 0.00 C ATOM 80 O ASN A 9 -19.708 -10.531 -11.455 1.00 0.00 O ATOM 81 CB ASN A 9 -21.696 -11.663 -9.171 1.00 0.00 C ATOM 82 CG ASN A 9 -21.079 -12.988 -9.624 1.00 0.00 C ATOM 83 OD1 ASN A 9 -21.633 -13.717 -10.430 1.00 0.00 O ATOM 84 ND2 ASN A 9 -19.905 -13.258 -9.062 1.00 0.00 N ATOM 0 HA ASN A 9 -22.572 -9.931 -10.100 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -21.076 -11.216 -8.394 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -22.676 -11.846 -8.731 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.412 -14.119 -9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.497 -12.604 -8.394 1.00 0.00 H new ATOM 91 N PHE A 10 -20.173 -9.016 -9.841 1.00 0.00 N ATOM 92 CA PHE A 10 -18.905 -8.320 -9.974 1.00 0.00 C ATOM 93 C PHE A 10 -18.557 -7.563 -8.691 1.00 0.00 C ATOM 94 O PHE A 10 -19.329 -6.720 -8.235 1.00 0.00 O ATOM 95 CB PHE A 10 -19.063 -7.316 -11.117 1.00 0.00 C ATOM 96 CG PHE A 10 -19.788 -6.029 -10.719 1.00 0.00 C ATOM 97 CD1 PHE A 10 -19.101 -5.017 -10.125 1.00 0.00 C ATOM 98 CD2 PHE A 10 -21.120 -5.897 -10.960 1.00 0.00 C ATOM 99 CE1 PHE A 10 -19.775 -3.822 -9.755 1.00 0.00 C ATOM 100 CE2 PHE A 10 -21.794 -4.702 -10.590 1.00 0.00 C ATOM 101 CZ PHE A 10 -21.107 -3.691 -9.996 1.00 0.00 C ATOM 0 H PHE A 10 -20.798 -8.632 -9.132 1.00 0.00 H new ATOM 0 HA PHE A 10 -18.107 -9.036 -10.169 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -18.076 -7.061 -11.502 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -19.609 -7.791 -11.932 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -18.043 -5.121 -9.934 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -21.665 -6.700 -11.433 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -19.230 -3.018 -9.283 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.852 -4.597 -10.781 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.619 -2.783 -9.715 1.00 0.00 H new ATOM 111 N LEU A 11 -17.396 -7.891 -8.144 1.00 0.00 N ATOM 112 CA LEU A 11 -16.938 -7.253 -6.922 1.00 0.00 C ATOM 113 C LEU A 11 -15.604 -6.551 -7.187 1.00 0.00 C ATOM 114 O LEU A 11 -14.570 -7.205 -7.319 1.00 0.00 O ATOM 115 CB LEU A 11 -16.882 -8.266 -5.776 1.00 0.00 C ATOM 116 CG LEU A 11 -16.095 -7.834 -4.537 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.994 -7.086 -3.551 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.401 -9.031 -3.884 1.00 0.00 C ATOM 0 H LEU A 11 -16.759 -8.590 -8.525 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.645 -6.487 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.903 -8.497 -5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.446 -9.190 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.315 -7.141 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.411 -6.790 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.403 -6.198 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.810 -7.737 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.849 -8.697 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.148 -9.766 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.711 -9.484 -4.596 1.00 0.00 H new ATOM 130 N GLU A 12 -15.671 -5.230 -7.258 1.00 0.00 N ATOM 131 CA GLU A 12 -14.482 -4.433 -7.505 1.00 0.00 C ATOM 132 C GLU A 12 -14.402 -3.275 -6.508 1.00 0.00 C ATOM 133 O GLU A 12 -15.404 -2.907 -5.897 1.00 0.00 O ATOM 134 CB GLU A 12 -14.457 -3.918 -8.946 1.00 0.00 C ATOM 135 CG GLU A 12 -14.331 -5.075 -9.939 1.00 0.00 C ATOM 136 CD GLU A 12 -12.984 -5.031 -10.664 1.00 0.00 C ATOM 137 OE1 GLU A 12 -12.801 -4.088 -11.464 1.00 0.00 O ATOM 138 OE2 GLU A 12 -12.168 -5.940 -10.401 1.00 0.00 O ATOM 0 H GLU A 12 -16.530 -4.692 -7.149 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.607 -5.068 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.368 -3.356 -9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.622 -3.230 -9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.434 -6.024 -9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.141 -5.025 -10.666 1.00 0.00 H new ATOM 145 N ILE A 13 -13.200 -2.734 -6.374 1.00 0.00 N ATOM 146 CA ILE A 13 -12.976 -1.625 -5.461 1.00 0.00 C ATOM 147 C ILE A 13 -12.130 -0.559 -6.159 1.00 0.00 C ATOM 148 O ILE A 13 -11.188 -0.883 -6.880 1.00 0.00 O ATOM 149 CB ILE A 13 -12.373 -2.127 -4.147 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.384 -2.969 -3.366 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.830 -0.964 -3.314 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.801 -4.340 -3.016 1.00 0.00 C ATOM 0 H ILE A 13 -12.371 -3.043 -6.882 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.922 -1.155 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.529 -2.775 -4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.669 -2.447 -2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.291 -3.096 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.407 -1.348 -2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.056 -0.443 -3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.640 -0.271 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.540 -4.919 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.540 -4.869 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.908 -4.210 -2.405 1.00 0.00 H new ATOM 164 N ASP A 14 -12.496 0.692 -5.919 1.00 0.00 N ATOM 165 CA ASP A 14 -11.782 1.808 -6.515 1.00 0.00 C ATOM 166 C ASP A 14 -11.086 2.610 -5.413 1.00 0.00 C ATOM 167 O ASP A 14 -11.641 2.796 -4.332 1.00 0.00 O ATOM 168 CB ASP A 14 -12.742 2.747 -7.249 1.00 0.00 C ATOM 169 CG ASP A 14 -12.636 2.716 -8.775 1.00 0.00 C ATOM 170 OD1 ASP A 14 -13.024 1.676 -9.350 1.00 0.00 O ATOM 171 OD2 ASP A 14 -12.171 3.734 -9.332 1.00 0.00 O ATOM 0 H ASP A 14 -13.278 0.957 -5.320 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.059 1.405 -7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.763 2.492 -6.965 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.561 3.766 -6.908 1.00 0.00 H new ATOM 176 N ILE A 15 -9.881 3.062 -5.727 1.00 0.00 N ATOM 177 CA ILE A 15 -9.103 3.839 -4.777 1.00 0.00 C ATOM 178 C ILE A 15 -8.554 5.086 -5.473 1.00 0.00 C ATOM 179 O ILE A 15 -7.608 5.000 -6.254 1.00 0.00 O ATOM 180 CB ILE A 15 -8.023 2.970 -4.130 1.00 0.00 C ATOM 181 CG1 ILE A 15 -8.605 1.640 -3.647 1.00 0.00 C ATOM 182 CG2 ILE A 15 -7.310 3.726 -3.007 1.00 0.00 C ATOM 183 CD1 ILE A 15 -7.813 1.095 -2.457 1.00 0.00 C ATOM 0 H ILE A 15 -9.424 2.905 -6.626 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.735 4.183 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.274 2.737 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.648 1.778 -3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.590 0.915 -4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.547 3.085 -2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.840 4.622 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.034 4.010 -2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.247 0.149 -2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.776 0.936 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.851 1.811 -1.636 1.00 0.00 H new ATOM 195 N PHE A 16 -9.172 6.217 -5.164 1.00 0.00 N ATOM 196 CA PHE A 16 -8.757 7.481 -5.751 1.00 0.00 C ATOM 197 C PHE A 16 -9.052 8.647 -4.806 1.00 0.00 C ATOM 198 O PHE A 16 -9.488 8.439 -3.674 1.00 0.00 O ATOM 199 CB PHE A 16 -9.565 7.664 -7.036 1.00 0.00 C ATOM 200 CG PHE A 16 -11.068 7.842 -6.807 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.572 9.075 -6.534 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.898 6.767 -6.876 1.00 0.00 C ATOM 203 CE1 PHE A 16 -12.967 9.240 -6.321 1.00 0.00 C ATOM 204 CE2 PHE A 16 -13.292 6.932 -6.663 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.797 8.165 -6.390 1.00 0.00 C ATOM 0 H PHE A 16 -9.956 6.285 -4.515 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.684 7.467 -5.944 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.184 8.534 -7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.406 6.799 -7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.912 9.928 -6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -11.497 5.788 -7.093 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.368 10.219 -6.104 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.951 6.078 -6.718 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.857 8.290 -6.228 1.00 0.00 H new ATOM 215 N ASN A 17 -8.804 9.849 -5.305 1.00 0.00 N ATOM 216 CA ASN A 17 -9.038 11.049 -4.519 1.00 0.00 C ATOM 217 C ASN A 17 -8.212 10.980 -3.233 1.00 0.00 C ATOM 218 O ASN A 17 -8.760 10.788 -2.149 1.00 0.00 O ATOM 219 CB ASN A 17 -10.512 11.172 -4.129 1.00 0.00 C ATOM 220 CG ASN A 17 -11.235 12.178 -5.026 1.00 0.00 C ATOM 221 OD1 ASN A 17 -10.643 12.840 -5.864 1.00 0.00 O ATOM 222 ND2 ASN A 17 -12.544 12.257 -4.806 1.00 0.00 N ATOM 0 H ASN A 17 -8.443 10.018 -6.244 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.752 11.910 -5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.995 10.198 -4.207 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.591 11.485 -3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.115 12.900 -5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.977 11.675 -4.089 1.00 0.00 H new ATOM 229 N PRO A 18 -6.872 11.145 -3.401 1.00 0.00 N ATOM 230 CA PRO A 18 -5.966 11.103 -2.266 1.00 0.00 C ATOM 231 C PRO A 18 -6.056 12.391 -1.445 1.00 0.00 C ATOM 232 O PRO A 18 -6.227 13.475 -2.000 1.00 0.00 O ATOM 233 CB PRO A 18 -4.589 10.880 -2.871 1.00 0.00 C ATOM 234 CG PRO A 18 -4.709 11.268 -4.336 1.00 0.00 C ATOM 235 CD PRO A 18 -6.188 11.373 -4.670 1.00 0.00 C ATOM 0 HA PRO A 18 -6.211 10.309 -1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.838 11.488 -2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.280 9.840 -2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.207 12.218 -4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.227 10.523 -4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.432 12.352 -5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.479 10.633 -5.415 1.00 0.00 H new ATOM 243 N GLN A 19 -5.937 12.229 -0.135 1.00 0.00 N ATOM 244 CA GLN A 19 -6.003 13.366 0.768 1.00 0.00 C ATOM 245 C GLN A 19 -5.062 13.154 1.956 1.00 0.00 C ATOM 246 O GLN A 19 -5.226 12.206 2.721 1.00 0.00 O ATOM 247 CB GLN A 19 -7.438 13.607 1.241 1.00 0.00 C ATOM 248 CG GLN A 19 -7.505 14.792 2.206 1.00 0.00 C ATOM 249 CD GLN A 19 -8.700 15.693 1.887 1.00 0.00 C ATOM 250 OE1 GLN A 19 -9.777 15.558 2.443 1.00 0.00 O ATOM 251 NE2 GLN A 19 -8.450 16.616 0.963 1.00 0.00 N ATOM 0 H GLN A 19 -5.795 11.328 0.322 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.680 14.255 0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.081 13.796 0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.818 12.711 1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.583 14.427 3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.583 15.369 2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.525 16.674 0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.183 17.266 0.680 1.00 0.00 H new ATOM 260 N THR A 20 -4.097 14.055 2.073 1.00 0.00 N ATOM 261 CA THR A 20 -3.130 13.979 3.155 1.00 0.00 C ATOM 262 C THR A 20 -3.601 14.811 4.350 1.00 0.00 C ATOM 263 O THR A 20 -3.997 15.964 4.191 1.00 0.00 O ATOM 264 CB THR A 20 -1.771 14.419 2.606 1.00 0.00 C ATOM 265 OG1 THR A 20 -1.433 13.405 1.663 1.00 0.00 O ATOM 266 CG2 THR A 20 -0.661 14.338 3.656 1.00 0.00 C ATOM 0 H THR A 20 -3.964 14.841 1.437 1.00 0.00 H new ATOM 0 HA THR A 20 -3.032 12.959 3.527 1.00 0.00 H new ATOM 0 HB THR A 20 -1.843 15.441 2.234 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.565 13.612 1.257 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.282 14.661 3.214 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.908 14.985 4.497 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.565 13.310 4.005 1.00 0.00 H new ATOM 412 N THR A 30 -5.156 8.959 3.251 1.00 0.00 N ATOM 413 CA THR A 30 -6.246 8.025 3.029 1.00 0.00 C ATOM 414 C THR A 30 -6.938 8.320 1.697 1.00 0.00 C ATOM 415 O THR A 30 -7.281 9.467 1.413 1.00 0.00 O ATOM 416 CB THR A 30 -7.187 8.100 4.232 1.00 0.00 C ATOM 417 OG1 THR A 30 -7.228 9.487 4.554 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.594 7.445 5.481 1.00 0.00 C ATOM 0 HA THR A 30 -5.879 7.002 2.949 1.00 0.00 H new ATOM 0 HB THR A 30 -8.133 7.618 3.984 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.395 9.915 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.302 7.526 6.305 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.391 6.393 5.279 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.665 7.948 5.750 1.00 0.00 H new ATOM 426 N TYR A 31 -7.123 7.267 0.915 1.00 0.00 N ATOM 427 CA TYR A 31 -7.768 7.399 -0.380 1.00 0.00 C ATOM 428 C TYR A 31 -9.253 7.041 -0.292 1.00 0.00 C ATOM 429 O TYR A 31 -9.668 6.312 0.609 1.00 0.00 O ATOM 430 CB TYR A 31 -7.069 6.400 -1.303 1.00 0.00 C ATOM 431 CG TYR A 31 -5.543 6.411 -1.191 1.00 0.00 C ATOM 432 CD1 TYR A 31 -4.802 7.294 -1.951 1.00 0.00 C ATOM 433 CD2 TYR A 31 -4.908 5.539 -0.331 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.366 7.304 -1.845 1.00 0.00 C ATOM 435 CE2 TYR A 31 -3.472 5.550 -0.225 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.772 6.432 -0.988 1.00 0.00 C ATOM 437 OH TYR A 31 -1.416 6.442 -0.888 1.00 0.00 O ATOM 0 H TYR A 31 -6.837 6.317 1.154 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.695 8.425 -0.742 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.432 5.397 -1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.349 6.616 -2.334 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.299 7.977 -2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.488 4.848 0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.774 7.989 -2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.962 4.873 0.445 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.081 7.345 -1.069 1.00 0.00 H new ATOM 447 N GLU A 32 -10.014 7.571 -1.238 1.00 0.00 N ATOM 448 CA GLU A 32 -11.444 7.316 -1.279 1.00 0.00 C ATOM 449 C GLU A 32 -11.719 5.923 -1.850 1.00 0.00 C ATOM 450 O GLU A 32 -11.756 5.743 -3.066 1.00 0.00 O ATOM 451 CB GLU A 32 -12.170 8.393 -2.088 1.00 0.00 C ATOM 452 CG GLU A 32 -12.605 9.553 -1.190 1.00 0.00 C ATOM 453 CD GLU A 32 -14.102 9.831 -1.339 1.00 0.00 C ATOM 454 OE1 GLU A 32 -14.880 9.125 -0.661 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.434 10.741 -2.128 1.00 0.00 O ATOM 0 H GLU A 32 -9.667 8.176 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.829 7.352 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.515 8.764 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.043 7.960 -2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.377 9.318 -0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.038 10.448 -1.446 1.00 0.00 H new ATOM 462 N VAL A 33 -11.906 4.974 -0.944 1.00 0.00 N ATOM 463 CA VAL A 33 -12.177 3.603 -1.342 1.00 0.00 C ATOM 464 C VAL A 33 -13.646 3.476 -1.750 1.00 0.00 C ATOM 465 O VAL A 33 -14.535 3.517 -0.902 1.00 0.00 O ATOM 466 CB VAL A 33 -11.784 2.644 -0.217 1.00 0.00 C ATOM 467 CG1 VAL A 33 -11.931 1.188 -0.661 1.00 0.00 C ATOM 468 CG2 VAL A 33 -10.362 2.927 0.272 1.00 0.00 C ATOM 0 H VAL A 33 -11.875 5.128 0.064 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.574 3.331 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.465 2.810 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.645 0.527 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.967 0.995 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.285 1.002 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.107 2.232 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.662 2.803 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.303 3.949 0.647 1.00 0.00 H new ATOM 478 N ARG A 34 -13.855 3.323 -3.050 1.00 0.00 N ATOM 479 CA ARG A 34 -15.201 3.190 -3.580 1.00 0.00 C ATOM 480 C ARG A 34 -15.430 1.767 -4.094 1.00 0.00 C ATOM 481 O ARG A 34 -14.975 1.414 -5.181 1.00 0.00 O ATOM 482 CB ARG A 34 -15.445 4.181 -4.720 1.00 0.00 C ATOM 483 CG ARG A 34 -16.915 4.179 -5.144 1.00 0.00 C ATOM 484 CD ARG A 34 -17.193 5.283 -6.166 1.00 0.00 C ATOM 485 NE ARG A 34 -18.330 6.116 -5.714 1.00 0.00 N ATOM 486 CZ ARG A 34 -18.707 7.257 -6.308 1.00 0.00 C ATOM 487 NH1 ARG A 34 -18.041 7.707 -7.380 1.00 0.00 N ATOM 488 NH2 ARG A 34 -19.751 7.947 -5.829 1.00 0.00 N ATOM 0 H ARG A 34 -13.115 3.288 -3.751 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.899 3.406 -2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.156 5.183 -4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -14.817 3.922 -5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.172 3.210 -5.571 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.550 4.320 -4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.306 5.903 -6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.418 4.843 -7.137 1.00 0.00 H new ATOM 0 HE ARG A 34 -18.859 5.802 -4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.247 7.181 -7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.328 8.575 -7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -20.258 7.604 -5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.039 8.815 -6.280 1.00 0.00 H new ATOM 502 N MET A 35 -16.136 0.987 -3.288 1.00 0.00 N ATOM 503 CA MET A 35 -16.431 -0.389 -3.647 1.00 0.00 C ATOM 504 C MET A 35 -17.849 -0.518 -4.206 1.00 0.00 C ATOM 505 O MET A 35 -18.724 0.283 -3.881 1.00 0.00 O ATOM 506 CB MET A 35 -16.286 -1.281 -2.412 1.00 0.00 C ATOM 507 CG MET A 35 -16.728 -2.714 -2.717 1.00 0.00 C ATOM 508 SD MET A 35 -18.477 -2.893 -2.409 1.00 0.00 S ATOM 509 CE MET A 35 -18.432 -3.913 -0.945 1.00 0.00 C ATOM 0 H MET A 35 -16.512 1.283 -2.387 1.00 0.00 H new ATOM 0 HA MET A 35 -15.727 -0.703 -4.418 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.249 -1.280 -2.078 1.00 0.00 H new ATOM 0 HB3 MET A 35 -16.885 -0.878 -1.595 1.00 0.00 H new ATOM 0 HG2 MET A 35 -16.507 -2.958 -3.756 1.00 0.00 H new ATOM 0 HG3 MET A 35 -16.168 -3.415 -2.099 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.442 -4.239 -0.698 1.00 0.00 H new ATOM 0 HE2 MET A 35 -17.804 -4.785 -1.128 1.00 0.00 H new ATOM 0 HE3 MET A 35 -18.022 -3.339 -0.114 1.00 0.00 H new ATOM 519 N ARG A 36 -18.033 -1.532 -5.039 1.00 0.00 N ATOM 520 CA ARG A 36 -19.330 -1.776 -5.646 1.00 0.00 C ATOM 521 C ARG A 36 -19.505 -3.267 -5.945 1.00 0.00 C ATOM 522 O ARG A 36 -18.832 -3.811 -6.820 1.00 0.00 O ATOM 523 CB ARG A 36 -19.489 -0.981 -6.944 1.00 0.00 C ATOM 524 CG ARG A 36 -20.146 0.375 -6.679 1.00 0.00 C ATOM 525 CD ARG A 36 -20.586 1.036 -7.987 1.00 0.00 C ATOM 526 NE ARG A 36 -20.609 2.507 -7.828 1.00 0.00 N ATOM 527 CZ ARG A 36 -20.938 3.363 -8.805 1.00 0.00 C ATOM 528 NH1 ARG A 36 -21.273 2.900 -10.017 1.00 0.00 N ATOM 529 NH2 ARG A 36 -20.931 4.682 -8.570 1.00 0.00 N ATOM 0 H ARG A 36 -17.305 -2.194 -5.308 1.00 0.00 H new ATOM 0 HA ARG A 36 -20.093 -1.452 -4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.513 -0.832 -7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.093 -1.550 -7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -21.009 0.244 -6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.446 1.026 -6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -19.904 0.760 -8.791 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -21.575 0.677 -8.271 1.00 0.00 H new ATOM 0 HE ARG A 36 -20.359 2.894 -6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -21.278 1.896 -10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -21.523 3.552 -10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -20.675 5.034 -7.648 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -21.181 5.334 -9.314 1.00 0.00 H new ATOM 543 N THR A 37 -20.411 -3.885 -5.202 1.00 0.00 N ATOM 544 CA THR A 37 -20.682 -5.301 -5.376 1.00 0.00 C ATOM 545 C THR A 37 -22.188 -5.546 -5.489 1.00 0.00 C ATOM 546 O THR A 37 -22.987 -4.642 -5.251 1.00 0.00 O ATOM 547 CB THR A 37 -20.030 -6.054 -4.214 1.00 0.00 C ATOM 548 OG1 THR A 37 -20.096 -7.422 -4.606 1.00 0.00 O ATOM 549 CG2 THR A 37 -20.865 -5.992 -2.934 1.00 0.00 C ATOM 0 H THR A 37 -20.967 -3.430 -4.478 1.00 0.00 H new ATOM 0 HA THR A 37 -20.253 -5.674 -6.306 1.00 0.00 H new ATOM 0 HB THR A 37 -19.041 -5.638 -4.022 1.00 0.00 H new ATOM 0 HG1 THR A 37 -20.000 -7.994 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.357 -6.542 -2.141 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.991 -4.952 -2.632 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.843 -6.438 -3.116 1.00 0.00 H new ATOM 557 N ASN A 38 -22.530 -6.773 -5.854 1.00 0.00 N ATOM 558 CA ASN A 38 -23.926 -7.148 -6.002 1.00 0.00 C ATOM 559 C ASN A 38 -24.177 -8.464 -5.263 1.00 0.00 C ATOM 560 O ASN A 38 -25.163 -9.150 -5.527 1.00 0.00 O ATOM 561 CB ASN A 38 -24.287 -7.356 -7.474 1.00 0.00 C ATOM 562 CG ASN A 38 -23.684 -8.657 -8.008 1.00 0.00 C ATOM 563 OD1 ASN A 38 -22.526 -8.971 -7.788 1.00 0.00 O ATOM 564 ND2 ASN A 38 -24.532 -9.393 -8.721 1.00 0.00 N ATOM 0 H ASN A 38 -21.864 -7.520 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.537 -6.344 -5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -25.371 -7.380 -7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.924 -6.514 -8.064 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -24.226 -10.279 -9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -25.489 -9.071 -8.867 1.00 0.00 H new ATOM 571 N LEU A 39 -23.267 -8.778 -4.352 1.00 0.00 N ATOM 572 CA LEU A 39 -23.378 -9.999 -3.574 1.00 0.00 C ATOM 573 C LEU A 39 -24.102 -9.698 -2.260 1.00 0.00 C ATOM 574 O LEU A 39 -24.081 -8.565 -1.782 1.00 0.00 O ATOM 575 CB LEU A 39 -22.001 -10.640 -3.384 1.00 0.00 C ATOM 576 CG LEU A 39 -21.121 -10.720 -4.633 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.714 -11.209 -4.281 1.00 0.00 C ATOM 578 CD2 LEU A 39 -21.776 -11.585 -5.711 1.00 0.00 C ATOM 0 H LEU A 39 -22.450 -8.207 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 39 -23.978 -10.737 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.463 -10.079 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -22.142 -11.649 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 39 -21.020 -9.716 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.108 -11.257 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.255 -10.518 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.775 -12.200 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -21.130 -11.625 -6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -21.928 -12.593 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -22.738 -11.154 -5.989 1.00 0.00 H new ATOM 590 N PRO A 40 -24.741 -10.759 -1.699 1.00 0.00 N ATOM 591 CA PRO A 40 -25.470 -10.619 -0.450 1.00 0.00 C ATOM 592 C PRO A 40 -24.510 -10.526 0.737 1.00 0.00 C ATOM 593 O PRO A 40 -24.752 -9.770 1.677 1.00 0.00 O ATOM 594 CB PRO A 40 -26.378 -11.837 -0.386 1.00 0.00 C ATOM 595 CG PRO A 40 -25.793 -12.845 -1.363 1.00 0.00 C ATOM 596 CD PRO A 40 -24.786 -12.116 -2.238 1.00 0.00 C ATOM 0 HA PRO A 40 -26.055 -9.700 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.412 -12.246 0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.401 -11.577 -0.659 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.311 -13.662 -0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.581 -13.286 -1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.806 -12.592 -2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -25.095 -12.117 -3.283 1.00 0.00 H new ATOM 604 N ILE A 41 -23.442 -11.306 0.657 1.00 0.00 N ATOM 605 CA ILE A 41 -22.445 -11.320 1.713 1.00 0.00 C ATOM 606 C ILE A 41 -22.252 -9.899 2.246 1.00 0.00 C ATOM 607 O ILE A 41 -22.194 -9.689 3.457 1.00 0.00 O ATOM 608 CB ILE A 41 -21.152 -11.974 1.221 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.345 -11.006 0.353 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.444 -13.288 0.494 1.00 0.00 C ATOM 611 CD1 ILE A 41 -18.959 -11.576 0.041 1.00 0.00 C ATOM 0 H ILE A 41 -23.246 -11.933 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 41 -22.785 -11.931 2.549 1.00 0.00 H new ATOM 0 HB ILE A 41 -20.539 -12.216 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -20.880 -10.812 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.242 -10.050 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.508 -13.732 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -21.947 -13.976 1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.086 -13.094 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.406 -10.869 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.418 -11.746 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -19.066 -12.520 -0.494 1.00 0.00 H new ATOM 623 N PHE A 42 -22.156 -8.961 1.316 1.00 0.00 N ATOM 624 CA PHE A 42 -21.971 -7.566 1.677 1.00 0.00 C ATOM 625 C PHE A 42 -23.304 -6.912 2.043 1.00 0.00 C ATOM 626 O PHE A 42 -24.284 -7.037 1.310 1.00 0.00 O ATOM 627 CB PHE A 42 -21.391 -6.860 0.449 1.00 0.00 C ATOM 628 CG PHE A 42 -19.945 -7.249 0.133 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.687 -8.362 -0.605 1.00 0.00 C ATOM 630 CD2 PHE A 42 -18.919 -6.482 0.589 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.346 -8.724 -0.899 1.00 0.00 C ATOM 632 CE2 PHE A 42 -17.577 -6.844 0.295 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.319 -7.957 -0.443 1.00 0.00 C ATOM 0 H PHE A 42 -22.203 -9.139 0.313 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.311 -7.490 2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.015 -7.086 -0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.441 -5.782 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.502 -8.970 -0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.124 -5.598 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.141 -9.608 -1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -16.762 -6.235 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.299 -8.232 -0.667 1.00 0.00 H new ATOM 643 N LYS A 43 -23.300 -6.228 3.178 1.00 0.00 N ATOM 644 CA LYS A 43 -24.497 -5.554 3.651 1.00 0.00 C ATOM 645 C LYS A 43 -24.854 -4.421 2.687 1.00 0.00 C ATOM 646 O LYS A 43 -25.970 -4.366 2.174 1.00 0.00 O ATOM 647 CB LYS A 43 -24.317 -5.096 5.100 1.00 0.00 C ATOM 648 CG LYS A 43 -25.562 -4.362 5.601 1.00 0.00 C ATOM 649 CD LYS A 43 -26.119 -5.025 6.863 1.00 0.00 C ATOM 650 CE LYS A 43 -26.920 -4.025 7.699 1.00 0.00 C ATOM 651 NZ LYS A 43 -27.263 -4.608 9.016 1.00 0.00 N ATOM 0 H LYS A 43 -22.486 -6.126 3.784 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.343 -6.242 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.118 -5.959 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.450 -4.440 5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -25.315 -3.321 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -26.324 -4.357 4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -26.756 -5.865 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -25.300 -5.428 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -26.341 -3.112 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -27.831 -3.747 7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.807 -3.916 9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.834 -5.466 8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.390 -4.851 9.526 1.00 0.00 H new ATOM 665 N LEU A 44 -23.884 -3.544 2.470 1.00 0.00 N ATOM 666 CA LEU A 44 -24.081 -2.416 1.577 1.00 0.00 C ATOM 667 C LEU A 44 -23.638 -2.804 0.165 1.00 0.00 C ATOM 668 O LEU A 44 -22.665 -3.538 -0.004 1.00 0.00 O ATOM 669 CB LEU A 44 -23.377 -1.171 2.122 1.00 0.00 C ATOM 670 CG LEU A 44 -23.524 -0.922 3.624 1.00 0.00 C ATOM 671 CD1 LEU A 44 -22.820 0.372 4.036 1.00 0.00 C ATOM 672 CD2 LEU A 44 -24.996 -0.931 4.041 1.00 0.00 C ATOM 0 H LEU A 44 -22.959 -3.593 2.898 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.138 -2.157 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.315 -1.247 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.759 -0.300 1.590 1.00 0.00 H new ATOM 0 HG LEU A 44 -23.035 -1.739 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -22.940 0.526 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -21.759 0.302 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.259 1.212 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -25.071 -0.752 5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.531 -0.148 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.436 -1.900 3.803 1.00 0.00 H new ATOM 684 N LYS A 45 -24.373 -2.295 -0.813 1.00 0.00 N ATOM 685 CA LYS A 45 -24.068 -2.580 -2.205 1.00 0.00 C ATOM 686 C LYS A 45 -22.910 -1.689 -2.661 1.00 0.00 C ATOM 687 O LYS A 45 -22.133 -2.074 -3.533 1.00 0.00 O ATOM 688 CB LYS A 45 -25.324 -2.445 -3.067 1.00 0.00 C ATOM 689 CG LYS A 45 -26.423 -3.396 -2.588 1.00 0.00 C ATOM 690 CD LYS A 45 -26.141 -4.831 -3.038 1.00 0.00 C ATOM 691 CE LYS A 45 -27.369 -5.720 -2.837 1.00 0.00 C ATOM 692 NZ LYS A 45 -27.146 -7.056 -3.433 1.00 0.00 N ATOM 0 H LYS A 45 -25.179 -1.687 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.741 -3.613 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.686 -1.417 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -25.080 -2.660 -4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.492 -3.359 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.387 -3.071 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -25.852 -4.836 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.300 -5.234 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -27.582 -5.821 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -28.242 -5.253 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -27.990 -7.646 -3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.965 -6.956 -4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -26.326 -7.506 -2.979 1.00 0.00 H new ATOM 706 N GLU A 46 -22.832 -0.516 -2.050 1.00 0.00 N ATOM 707 CA GLU A 46 -21.783 0.432 -2.383 1.00 0.00 C ATOM 708 C GLU A 46 -21.702 1.529 -1.319 1.00 0.00 C ATOM 709 O GLU A 46 -22.722 1.946 -0.773 1.00 0.00 O ATOM 710 CB GLU A 46 -22.005 1.032 -3.773 1.00 0.00 C ATOM 711 CG GLU A 46 -22.902 2.269 -3.699 1.00 0.00 C ATOM 712 CD GLU A 46 -23.633 2.496 -5.024 1.00 0.00 C ATOM 713 OE1 GLU A 46 -24.703 1.874 -5.196 1.00 0.00 O ATOM 714 OE2 GLU A 46 -23.105 3.288 -5.835 1.00 0.00 O ATOM 0 H GLU A 46 -23.478 -0.201 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.832 -0.101 -2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -21.045 1.300 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -22.460 0.287 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -23.628 2.149 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -22.300 3.145 -3.457 1.00 0.00 H new ATOM 721 N SER A 47 -20.479 1.966 -1.057 1.00 0.00 N ATOM 722 CA SER A 47 -20.252 3.007 -0.069 1.00 0.00 C ATOM 723 C SER A 47 -18.943 3.739 -0.371 1.00 0.00 C ATOM 724 O SER A 47 -18.171 3.310 -1.228 1.00 0.00 O ATOM 725 CB SER A 47 -20.220 2.425 1.346 1.00 0.00 C ATOM 726 OG SER A 47 -21.391 2.757 2.086 1.00 0.00 O ATOM 0 H SER A 47 -19.635 1.618 -1.512 1.00 0.00 H new ATOM 0 HA SER A 47 -21.078 3.716 -0.123 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.122 1.341 1.290 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.341 2.798 1.872 1.00 0.00 H new ATOM 0 HG SER A 47 -21.333 2.366 2.983 1.00 0.00 H new ATOM 732 N CYS A 48 -18.733 4.831 0.349 1.00 0.00 N ATOM 733 CA CYS A 48 -17.530 5.627 0.168 1.00 0.00 C ATOM 734 C CYS A 48 -16.841 5.770 1.526 1.00 0.00 C ATOM 735 O CYS A 48 -17.407 6.342 2.457 1.00 0.00 O ATOM 736 CB CYS A 48 -17.841 6.986 -0.460 1.00 0.00 C ATOM 737 SG CYS A 48 -18.867 7.984 0.681 1.00 0.00 S ATOM 0 H CYS A 48 -19.375 5.184 1.059 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.859 5.124 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.914 7.513 -0.683 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -18.365 6.847 -1.406 1.00 0.00 H new ATOM 0 HG CYS A 48 -18.599 7.652 1.909 1.00 0.00 H new ATOM 743 N VAL A 49 -15.628 5.241 1.597 1.00 0.00 N ATOM 744 CA VAL A 49 -14.855 5.303 2.826 1.00 0.00 C ATOM 745 C VAL A 49 -13.406 5.664 2.494 1.00 0.00 C ATOM 746 O VAL A 49 -13.030 5.726 1.325 1.00 0.00 O ATOM 747 CB VAL A 49 -14.982 3.984 3.591 1.00 0.00 C ATOM 748 CG1 VAL A 49 -16.438 3.712 3.976 1.00 0.00 C ATOM 749 CG2 VAL A 49 -14.403 2.823 2.782 1.00 0.00 C ATOM 0 H VAL A 49 -15.162 4.768 0.823 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.242 6.083 3.482 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.403 4.073 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.501 2.769 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -16.804 4.520 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -17.048 3.653 3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.506 1.898 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.941 2.733 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.348 3.010 2.581 1.00 0.00 H new ATOM 759 N ARG A 50 -12.631 5.893 3.545 1.00 0.00 N ATOM 760 CA ARG A 50 -11.232 6.246 3.380 1.00 0.00 C ATOM 761 C ARG A 50 -10.345 5.294 4.184 1.00 0.00 C ATOM 762 O ARG A 50 -10.511 5.160 5.396 1.00 0.00 O ATOM 763 CB ARG A 50 -10.969 7.683 3.835 1.00 0.00 C ATOM 764 CG ARG A 50 -10.904 7.772 5.361 1.00 0.00 C ATOM 765 CD ARG A 50 -11.261 9.179 5.844 1.00 0.00 C ATOM 766 NE ARG A 50 -11.888 9.110 7.183 1.00 0.00 N ATOM 767 CZ ARG A 50 -12.008 10.157 8.011 1.00 0.00 C ATOM 768 NH1 ARG A 50 -11.544 11.359 7.643 1.00 0.00 N ATOM 769 NH2 ARG A 50 -12.593 10.001 9.207 1.00 0.00 N ATOM 0 H ARG A 50 -12.946 5.841 4.514 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.993 6.163 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.032 8.038 3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.758 8.336 3.462 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.590 7.048 5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.902 7.510 5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.364 9.797 5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.943 9.653 5.138 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.251 8.209 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.099 11.477 6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.635 12.156 8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.946 9.086 9.486 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.685 10.797 9.838 1.00 0.00 H new ATOM 783 N ARG A 51 -9.424 4.656 3.478 1.00 0.00 N ATOM 784 CA ARG A 51 -8.511 3.719 4.111 1.00 0.00 C ATOM 785 C ARG A 51 -7.061 4.128 3.844 1.00 0.00 C ATOM 786 O ARG A 51 -6.768 4.767 2.834 1.00 0.00 O ATOM 787 CB ARG A 51 -8.736 2.296 3.595 1.00 0.00 C ATOM 788 CG ARG A 51 -10.133 1.794 3.964 1.00 0.00 C ATOM 789 CD ARG A 51 -10.138 1.159 5.356 1.00 0.00 C ATOM 790 NE ARG A 51 -9.861 2.189 6.382 1.00 0.00 N ATOM 791 CZ ARG A 51 -10.794 2.989 6.915 1.00 0.00 C ATOM 792 NH1 ARG A 51 -12.071 2.884 6.521 1.00 0.00 N ATOM 793 NH2 ARG A 51 -10.451 3.895 7.841 1.00 0.00 N ATOM 0 H ARG A 51 -9.290 4.769 2.473 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.706 3.739 5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.612 2.274 2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.983 1.629 4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.840 2.623 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.468 1.065 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.104 0.692 5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.387 0.371 5.408 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.899 2.297 6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.332 2.195 5.816 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.782 3.493 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.479 3.976 8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.162 4.504 8.247 1.00 0.00 H new ATOM 807 N ARG A 52 -6.191 3.743 4.767 1.00 0.00 N ATOM 808 CA ARG A 52 -4.779 4.062 4.644 1.00 0.00 C ATOM 809 C ARG A 52 -3.946 2.779 4.618 1.00 0.00 C ATOM 810 O ARG A 52 -4.330 1.773 5.212 1.00 0.00 O ATOM 811 CB ARG A 52 -4.310 4.943 5.803 1.00 0.00 C ATOM 812 CG ARG A 52 -4.909 4.470 7.129 1.00 0.00 C ATOM 813 CD ARG A 52 -4.469 5.373 8.283 1.00 0.00 C ATOM 814 NE ARG A 52 -4.826 4.750 9.577 1.00 0.00 N ATOM 815 CZ ARG A 52 -4.807 5.395 10.752 1.00 0.00 C ATOM 816 NH1 ARG A 52 -4.447 6.685 10.802 1.00 0.00 N ATOM 817 NH2 ARG A 52 -5.147 4.750 11.876 1.00 0.00 N ATOM 0 H ARG A 52 -6.437 3.213 5.603 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.642 4.607 3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.222 4.922 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.599 5.978 5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.997 4.466 7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.599 3.444 7.327 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.393 5.540 8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.947 6.348 8.195 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.104 3.769 9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.188 7.176 9.946 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.432 7.176 11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.420 3.768 11.838 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.132 5.241 12.770 1.00 0.00 H new ATOM 831 N TYR A 53 -2.820 2.856 3.923 1.00 0.00 N ATOM 832 CA TYR A 53 -1.929 1.714 3.812 1.00 0.00 C ATOM 833 C TYR A 53 -1.835 0.961 5.140 1.00 0.00 C ATOM 834 O TYR A 53 -1.874 -0.268 5.165 1.00 0.00 O ATOM 835 CB TYR A 53 -0.553 2.285 3.464 1.00 0.00 C ATOM 836 CG TYR A 53 0.545 1.227 3.339 1.00 0.00 C ATOM 837 CD1 TYR A 53 0.675 0.501 2.172 1.00 0.00 C ATOM 838 CD2 TYR A 53 1.407 0.999 4.393 1.00 0.00 C ATOM 839 CE1 TYR A 53 1.709 -0.494 2.055 1.00 0.00 C ATOM 840 CE2 TYR A 53 2.441 0.004 4.275 1.00 0.00 C ATOM 841 CZ TYR A 53 2.541 -0.694 3.112 1.00 0.00 C ATOM 842 OH TYR A 53 3.518 -1.634 3.001 1.00 0.00 O ATOM 0 H TYR A 53 -2.505 3.692 3.431 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.294 1.014 3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.625 2.832 2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.265 3.004 4.230 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.001 0.679 1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.306 1.567 5.306 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.821 -1.069 1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.122 -0.184 5.092 1.00 0.00 H new ATOM 0 HH TYR A 53 4.036 -1.667 3.832 1.00 0.00 H new ATOM 852 N SER A 54 -1.713 1.730 6.212 1.00 0.00 N ATOM 853 CA SER A 54 -1.613 1.151 7.541 1.00 0.00 C ATOM 854 C SER A 54 -2.784 0.197 7.786 1.00 0.00 C ATOM 855 O SER A 54 -2.593 -0.912 8.284 1.00 0.00 O ATOM 856 CB SER A 54 -1.582 2.239 8.616 1.00 0.00 C ATOM 857 OG SER A 54 -0.314 2.317 9.260 1.00 0.00 O ATOM 0 H SER A 54 -1.681 2.749 6.187 1.00 0.00 H new ATOM 0 HA SER A 54 -0.679 0.593 7.600 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.819 3.202 8.164 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.354 2.037 9.359 1.00 0.00 H new ATOM 0 HG SER A 54 -0.334 3.024 9.938 1.00 0.00 H new ATOM 863 N ASP A 55 -3.971 0.662 7.424 1.00 0.00 N ATOM 864 CA ASP A 55 -5.172 -0.136 7.598 1.00 0.00 C ATOM 865 C ASP A 55 -4.989 -1.485 6.901 1.00 0.00 C ATOM 866 O ASP A 55 -5.119 -2.535 7.528 1.00 0.00 O ATOM 867 CB ASP A 55 -6.388 0.556 6.977 1.00 0.00 C ATOM 868 CG ASP A 55 -6.840 1.832 7.691 1.00 0.00 C ATOM 869 OD1 ASP A 55 -6.644 1.892 8.924 1.00 0.00 O ATOM 870 OD2 ASP A 55 -7.373 2.717 6.988 1.00 0.00 O ATOM 0 H ASP A 55 -4.126 1.582 7.011 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.338 -0.266 8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.158 0.800 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.220 -0.148 6.962 1.00 0.00 H new ATOM 875 N PHE A 56 -4.690 -1.413 5.612 1.00 0.00 N ATOM 876 CA PHE A 56 -4.487 -2.616 4.823 1.00 0.00 C ATOM 877 C PHE A 56 -3.566 -3.599 5.548 1.00 0.00 C ATOM 878 O PHE A 56 -3.816 -4.803 5.550 1.00 0.00 O ATOM 879 CB PHE A 56 -3.824 -2.185 3.513 1.00 0.00 C ATOM 880 CG PHE A 56 -4.777 -1.508 2.526 1.00 0.00 C ATOM 881 CD1 PHE A 56 -5.509 -2.262 1.663 1.00 0.00 C ATOM 882 CD2 PHE A 56 -4.892 -0.153 2.511 1.00 0.00 C ATOM 883 CE1 PHE A 56 -6.394 -1.634 0.746 1.00 0.00 C ATOM 884 CE2 PHE A 56 -5.776 0.475 1.595 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.509 -0.279 0.732 1.00 0.00 C ATOM 0 H PHE A 56 -4.584 -0.540 5.095 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.441 -3.114 4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.006 -1.501 3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.384 -3.060 3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.418 -3.338 1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.310 0.446 3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.975 -2.233 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.867 1.551 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.182 0.199 0.036 1.00 0.00 H new ATOM 895 N GLU A 57 -2.519 -3.049 6.145 1.00 0.00 N ATOM 896 CA GLU A 57 -1.559 -3.862 6.872 1.00 0.00 C ATOM 897 C GLU A 57 -2.247 -4.587 8.031 1.00 0.00 C ATOM 898 O GLU A 57 -2.069 -5.791 8.207 1.00 0.00 O ATOM 899 CB GLU A 57 -0.390 -3.013 7.374 1.00 0.00 C ATOM 900 CG GLU A 57 0.781 -3.056 6.390 1.00 0.00 C ATOM 901 CD GLU A 57 2.102 -2.742 7.095 1.00 0.00 C ATOM 902 OE1 GLU A 57 2.431 -1.538 7.173 1.00 0.00 O ATOM 903 OE2 GLU A 57 2.753 -3.712 7.540 1.00 0.00 O ATOM 0 H GLU A 57 -2.314 -2.050 6.140 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.155 -4.610 6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.717 -1.982 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.064 -3.376 8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.837 -4.042 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.613 -2.337 5.588 1.00 0.00 H new ATOM 910 N TRP A 58 -3.018 -3.823 8.790 1.00 0.00 N ATOM 911 CA TRP A 58 -3.734 -4.377 9.927 1.00 0.00 C ATOM 912 C TRP A 58 -4.731 -5.411 9.400 1.00 0.00 C ATOM 913 O TRP A 58 -4.878 -6.487 9.977 1.00 0.00 O ATOM 914 CB TRP A 58 -4.399 -3.271 10.749 1.00 0.00 C ATOM 915 CG TRP A 58 -5.504 -3.768 11.682 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.422 -4.023 12.995 1.00 0.00 C ATOM 917 CD2 TRP A 58 -6.870 -4.061 11.319 1.00 0.00 C ATOM 918 NE1 TRP A 58 -6.630 -4.458 13.502 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.538 -4.482 12.450 1.00 0.00 C ATOM 920 CE3 TRP A 58 -7.518 -3.974 10.074 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -8.889 -4.848 12.451 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -8.869 -4.344 10.092 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.556 -4.769 11.222 1.00 0.00 C ATOM 0 H TRP A 58 -3.163 -2.825 8.640 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.046 -4.874 10.611 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.637 -2.765 11.342 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.818 -2.529 10.069 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.524 -3.903 13.583 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.821 -4.715 14.471 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.014 -3.648 9.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.390 -5.174 13.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.415 -4.295 9.161 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.600 -5.037 11.153 1.00 0.00 H new ATOM 934 N LEU A 59 -5.389 -5.048 8.309 1.00 0.00 N ATOM 935 CA LEU A 59 -6.368 -5.931 7.697 1.00 0.00 C ATOM 936 C LEU A 59 -5.673 -7.213 7.234 1.00 0.00 C ATOM 937 O LEU A 59 -6.104 -8.315 7.573 1.00 0.00 O ATOM 938 CB LEU A 59 -7.123 -5.205 6.582 1.00 0.00 C ATOM 939 CG LEU A 59 -7.381 -6.013 5.309 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.463 -7.070 5.541 1.00 0.00 C ATOM 941 CD2 LEU A 59 -7.720 -5.093 4.135 1.00 0.00 C ATOM 0 H LEU A 59 -5.264 -4.155 7.833 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.125 -6.222 8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.083 -4.872 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.561 -4.310 6.313 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.465 -6.542 5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.627 -7.630 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.143 -7.752 6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.391 -6.582 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.899 -5.693 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.615 -4.517 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.888 -4.412 3.954 1.00 0.00 H new ATOM 953 N LYS A 60 -4.608 -7.028 6.468 1.00 0.00 N ATOM 954 CA LYS A 60 -3.849 -8.156 5.955 1.00 0.00 C ATOM 955 C LYS A 60 -3.374 -9.019 7.126 1.00 0.00 C ATOM 956 O LYS A 60 -3.842 -10.142 7.303 1.00 0.00 O ATOM 957 CB LYS A 60 -2.716 -7.671 5.049 1.00 0.00 C ATOM 958 CG LYS A 60 -1.594 -8.708 4.972 1.00 0.00 C ATOM 959 CD LYS A 60 -0.570 -8.331 3.899 1.00 0.00 C ATOM 960 CE LYS A 60 -0.002 -9.578 3.220 1.00 0.00 C ATOM 961 NZ LYS A 60 0.689 -10.437 4.208 1.00 0.00 N ATOM 0 H LYS A 60 -4.252 -6.113 6.190 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.479 -8.787 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.104 -7.474 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.320 -6.729 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.099 -8.786 5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.015 -9.688 4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.039 -7.689 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.240 -7.757 4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.806 -10.138 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.694 -9.286 2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.197 -11.197 3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.366 -9.865 4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.010 -10.854 4.855 1.00 0.00 H new ATOM 975 N ASN A 61 -2.449 -8.461 7.894 1.00 0.00 N ATOM 976 CA ASN A 61 -1.906 -9.166 9.042 1.00 0.00 C ATOM 977 C ASN A 61 -3.050 -9.799 9.835 1.00 0.00 C ATOM 978 O ASN A 61 -2.896 -10.882 10.399 1.00 0.00 O ATOM 979 CB ASN A 61 -1.158 -8.209 9.973 1.00 0.00 C ATOM 980 CG ASN A 61 -0.059 -8.942 10.745 1.00 0.00 C ATOM 981 OD1 ASN A 61 0.632 -9.803 10.226 1.00 0.00 O ATOM 982 ND2 ASN A 61 0.063 -8.554 12.011 1.00 0.00 N ATOM 0 H ASN A 61 -2.062 -7.529 7.743 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.216 -9.926 8.675 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.720 -7.398 9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.859 -7.756 10.674 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.768 -8.983 12.610 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.548 -7.827 12.383 1.00 0.00 H new ATOM 989 N GLU A 62 -4.174 -9.097 9.855 1.00 0.00 N ATOM 990 CA GLU A 62 -5.344 -9.577 10.570 1.00 0.00 C ATOM 991 C GLU A 62 -5.936 -10.797 9.861 1.00 0.00 C ATOM 992 O GLU A 62 -6.373 -11.745 10.512 1.00 0.00 O ATOM 993 CB GLU A 62 -6.389 -8.469 10.718 1.00 0.00 C ATOM 994 CG GLU A 62 -7.734 -9.040 11.168 1.00 0.00 C ATOM 995 CD GLU A 62 -8.108 -8.531 12.562 1.00 0.00 C ATOM 996 OE1 GLU A 62 -8.251 -7.296 12.695 1.00 0.00 O ATOM 997 OE2 GLU A 62 -8.241 -9.388 13.462 1.00 0.00 O ATOM 0 H GLU A 62 -4.299 -8.199 9.387 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.036 -9.877 11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.042 -7.732 11.442 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.510 -7.949 9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.509 -8.760 10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.687 -10.129 11.175 1.00 0.00 H new ATOM 1004 N LEU A 63 -5.930 -10.734 8.538 1.00 0.00 N ATOM 1005 CA LEU A 63 -6.461 -11.822 7.734 1.00 0.00 C ATOM 1006 C LEU A 63 -5.676 -13.101 8.034 1.00 0.00 C ATOM 1007 O LEU A 63 -6.262 -14.172 8.181 1.00 0.00 O ATOM 1008 CB LEU A 63 -6.470 -11.439 6.253 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.847 -11.194 5.632 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -7.727 -10.876 4.140 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -8.784 -12.375 5.893 1.00 0.00 C ATOM 0 H LEU A 63 -5.566 -9.946 8.002 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.501 -12.017 7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.871 -10.537 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.975 -12.231 5.690 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.288 -10.321 6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.720 -10.706 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.119 -9.981 4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.256 -11.714 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.756 -12.175 5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.360 -13.279 5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.905 -12.513 6.967 1.00 0.00 H new ATOM 1023 N GLU A 64 -4.363 -12.946 8.116 1.00 0.00 N ATOM 1024 CA GLU A 64 -3.493 -14.075 8.395 1.00 0.00 C ATOM 1025 C GLU A 64 -3.468 -14.368 9.897 1.00 0.00 C ATOM 1026 O GLU A 64 -2.402 -14.577 10.474 1.00 0.00 O ATOM 1027 CB GLU A 64 -2.081 -13.824 7.862 1.00 0.00 C ATOM 1028 CG GLU A 64 -2.091 -13.658 6.341 1.00 0.00 C ATOM 1029 CD GLU A 64 -2.458 -14.972 5.648 1.00 0.00 C ATOM 1030 OE1 GLU A 64 -1.557 -15.832 5.548 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -3.632 -15.087 5.235 1.00 0.00 O ATOM 0 H GLU A 64 -3.881 -12.056 7.994 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.890 -14.950 7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.667 -12.929 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.432 -14.655 8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.805 -12.883 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.110 -13.325 6.002 1.00 0.00 H new ATOM 1107 N ILE A 69 -5.199 -18.358 4.495 1.00 0.00 N ATOM 1108 CA ILE A 69 -5.691 -17.639 3.333 1.00 0.00 C ATOM 1109 C ILE A 69 -4.508 -17.046 2.565 1.00 0.00 C ATOM 1110 O ILE A 69 -3.462 -16.766 3.150 1.00 0.00 O ATOM 1111 CB ILE A 69 -6.736 -16.601 3.748 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.098 -17.258 3.985 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -6.818 -15.465 2.726 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.199 -16.204 4.116 1.00 0.00 C ATOM 0 HA ILE A 69 -6.203 -18.320 2.654 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.422 -16.160 4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.330 -17.931 3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.061 -17.865 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.568 -14.742 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.848 -14.973 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.096 -15.870 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.157 -16.697 4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.976 -15.548 4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.250 -15.615 3.200 1.00 0.00 H new ATOM 1126 N VAL A 70 -4.712 -16.873 1.268 1.00 0.00 N ATOM 1127 CA VAL A 70 -3.674 -16.319 0.415 1.00 0.00 C ATOM 1128 C VAL A 70 -3.896 -14.813 0.262 1.00 0.00 C ATOM 1129 O VAL A 70 -4.737 -14.382 -0.525 1.00 0.00 O ATOM 1130 CB VAL A 70 -3.649 -17.058 -0.925 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -2.694 -16.377 -1.908 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -3.279 -18.530 -0.732 1.00 0.00 C ATOM 0 H VAL A 70 -5.580 -17.106 0.787 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.692 -16.459 0.868 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.652 -17.018 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.695 -16.922 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.020 -15.351 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.686 -16.373 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.268 -19.032 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.292 -18.600 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.013 -19.008 -0.083 1.00 0.00 H new ATOM 1142 N VAL A 71 -3.126 -14.053 1.028 1.00 0.00 N ATOM 1143 CA VAL A 71 -3.227 -12.604 0.988 1.00 0.00 C ATOM 1144 C VAL A 71 -2.090 -12.041 0.133 1.00 0.00 C ATOM 1145 O VAL A 71 -0.948 -12.487 0.241 1.00 0.00 O ATOM 1146 CB VAL A 71 -3.241 -12.041 2.411 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.651 -10.567 2.413 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -4.157 -12.866 3.318 1.00 0.00 C ATOM 0 H VAL A 71 -2.430 -14.414 1.680 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.165 -12.299 0.523 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.228 -12.108 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.653 -10.191 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.943 -9.992 1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.650 -10.467 1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.149 -12.445 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.173 -12.846 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.802 -13.896 3.353 1.00 0.00 H new ATOM 1158 N PRO A 72 -2.450 -11.044 -0.718 1.00 0.00 N ATOM 1159 CA PRO A 72 -1.473 -10.416 -1.591 1.00 0.00 C ATOM 1160 C PRO A 72 -0.568 -9.464 -0.805 1.00 0.00 C ATOM 1161 O PRO A 72 -0.929 -9.015 0.282 1.00 0.00 O ATOM 1162 CB PRO A 72 -2.295 -9.709 -2.657 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.696 -9.577 -2.084 1.00 0.00 C ATOM 1164 CD PRO A 72 -3.792 -10.491 -0.873 1.00 0.00 C ATOM 0 HA PRO A 72 -0.790 -11.135 -2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.874 -8.731 -2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.305 -10.280 -3.585 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.896 -8.544 -1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.441 -9.852 -2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.098 -9.939 0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.529 -11.279 -1.029 1.00 0.00 H new ATOM 1172 N PRO A 73 0.620 -9.178 -1.401 1.00 0.00 N ATOM 1173 CA PRO A 73 1.579 -8.288 -0.769 1.00 0.00 C ATOM 1174 C PRO A 73 1.131 -6.829 -0.882 1.00 0.00 C ATOM 1175 O PRO A 73 0.422 -6.465 -1.819 1.00 0.00 O ATOM 1176 CB PRO A 73 2.896 -8.562 -1.478 1.00 0.00 C ATOM 1177 CG PRO A 73 2.532 -9.250 -2.783 1.00 0.00 C ATOM 1178 CD PRO A 73 1.080 -9.691 -2.688 1.00 0.00 C ATOM 0 HA PRO A 73 1.674 -8.464 0.302 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.440 -7.636 -1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.542 -9.195 -0.870 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.670 -8.571 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.181 -10.108 -2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.489 -9.287 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.992 -10.776 -2.736 1.00 0.00 H new ATOM 1186 N LEU A 74 1.564 -6.034 0.085 1.00 0.00 N ATOM 1187 CA LEU A 74 1.216 -4.623 0.106 1.00 0.00 C ATOM 1188 C LEU A 74 2.329 -3.819 -0.569 1.00 0.00 C ATOM 1189 O LEU A 74 3.493 -4.214 -0.536 1.00 0.00 O ATOM 1190 CB LEU A 74 0.908 -4.169 1.534 1.00 0.00 C ATOM 1191 CG LEU A 74 -0.484 -4.520 2.064 1.00 0.00 C ATOM 1192 CD1 LEU A 74 -0.481 -4.615 3.591 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -1.532 -3.529 1.553 1.00 0.00 C ATOM 0 H LEU A 74 2.153 -6.340 0.860 1.00 0.00 H new ATOM 0 HA LEU A 74 0.304 -4.446 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.650 -4.607 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.032 -3.087 1.585 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.757 -5.503 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.482 -4.866 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.218 -5.389 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.177 -3.658 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.512 -3.802 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.275 -2.524 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.557 -3.555 0.464 1.00 0.00 H new ATOM 1205 N PRO A 75 1.920 -2.675 -1.181 1.00 0.00 N ATOM 1206 CA PRO A 75 2.869 -1.811 -1.863 1.00 0.00 C ATOM 1207 C PRO A 75 3.706 -1.016 -0.859 1.00 0.00 C ATOM 1208 O PRO A 75 3.294 0.053 -0.410 1.00 0.00 O ATOM 1209 CB PRO A 75 2.021 -0.926 -2.761 1.00 0.00 C ATOM 1210 CG PRO A 75 0.607 -1.006 -2.209 1.00 0.00 C ATOM 1211 CD PRO A 75 0.550 -2.176 -1.240 1.00 0.00 C ATOM 0 HA PRO A 75 3.599 -2.369 -2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.386 0.101 -2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.057 -1.270 -3.795 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.342 -0.078 -1.703 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.111 -1.145 -3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.201 -1.859 -0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.137 -2.946 -1.589 1.00 0.00 H new ATOM 1219 N GLY A 76 4.866 -1.568 -0.535 1.00 0.00 N ATOM 1220 CA GLY A 76 5.765 -0.923 0.408 1.00 0.00 C ATOM 1221 C GLY A 76 7.100 -1.665 0.487 1.00 0.00 C ATOM 1222 O GLY A 76 7.347 -2.407 1.437 1.00 0.00 O ATOM 0 H GLY A 76 5.204 -2.455 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.936 0.110 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.303 -0.893 1.395 1.00 0.00 H new ATOM 1512 N GLU A 94 4.550 12.707 -5.674 1.00 0.00 N ATOM 1513 CA GLU A 94 3.269 12.362 -6.267 1.00 0.00 C ATOM 1514 C GLU A 94 3.292 10.922 -6.782 1.00 0.00 C ATOM 1515 O GLU A 94 2.314 10.191 -6.636 1.00 0.00 O ATOM 1516 CB GLU A 94 2.903 13.339 -7.387 1.00 0.00 C ATOM 1517 CG GLU A 94 3.962 13.328 -8.491 1.00 0.00 C ATOM 1518 CD GLU A 94 3.920 14.624 -9.304 1.00 0.00 C ATOM 1519 OE1 GLU A 94 4.540 15.605 -8.840 1.00 0.00 O ATOM 1520 OE2 GLU A 94 3.268 14.604 -10.370 1.00 0.00 O ATOM 0 HA GLU A 94 2.502 12.439 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.933 13.071 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.807 14.346 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.951 13.203 -8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.797 12.476 -9.150 1.00 0.00 H new ATOM 1527 N SER A 95 4.420 10.556 -7.373 1.00 0.00 N ATOM 1528 CA SER A 95 4.584 9.216 -7.910 1.00 0.00 C ATOM 1529 C SER A 95 4.278 8.178 -6.828 1.00 0.00 C ATOM 1530 O SER A 95 3.389 7.345 -6.996 1.00 0.00 O ATOM 1531 CB SER A 95 5.997 9.011 -8.458 1.00 0.00 C ATOM 1532 OG SER A 95 6.033 9.073 -9.881 1.00 0.00 O ATOM 0 H SER A 95 5.230 11.165 -7.492 1.00 0.00 H new ATOM 0 HA SER A 95 3.882 9.090 -8.735 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.660 9.772 -8.045 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.377 8.044 -8.128 1.00 0.00 H new ATOM 0 HG SER A 95 6.953 8.939 -10.191 1.00 0.00 H new ATOM 1538 N PHE A 96 5.032 8.263 -5.742 1.00 0.00 N ATOM 1539 CA PHE A 96 4.853 7.341 -4.633 1.00 0.00 C ATOM 1540 C PHE A 96 3.370 7.167 -4.299 1.00 0.00 C ATOM 1541 O PHE A 96 2.852 6.051 -4.321 1.00 0.00 O ATOM 1542 CB PHE A 96 5.567 7.951 -3.425 1.00 0.00 C ATOM 1543 CG PHE A 96 6.066 6.919 -2.411 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.360 5.776 -2.201 1.00 0.00 C ATOM 1545 CD2 PHE A 96 7.215 7.146 -1.720 1.00 0.00 C ATOM 1546 CE1 PHE A 96 5.823 4.818 -1.260 1.00 0.00 C ATOM 1547 CE2 PHE A 96 7.678 6.188 -0.779 1.00 0.00 C ATOM 1548 CZ PHE A 96 6.972 5.045 -0.569 1.00 0.00 C ATOM 0 H PHE A 96 5.768 8.956 -5.606 1.00 0.00 H new ATOM 0 HA PHE A 96 5.257 6.363 -4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.415 8.540 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.887 8.639 -2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.447 5.597 -2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.775 8.054 -1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.263 3.910 -1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.591 6.367 -0.230 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.324 4.317 0.147 1.00 0.00 H new ATOM 1558 N ILE A 97 2.728 8.286 -3.998 1.00 0.00 N ATOM 1559 CA ILE A 97 1.315 8.271 -3.660 1.00 0.00 C ATOM 1560 C ILE A 97 0.556 7.441 -4.697 1.00 0.00 C ATOM 1561 O ILE A 97 -0.117 6.472 -4.349 1.00 0.00 O ATOM 1562 CB ILE A 97 0.785 9.699 -3.508 1.00 0.00 C ATOM 1563 CG1 ILE A 97 1.097 10.254 -2.116 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -0.709 9.766 -3.830 1.00 0.00 C ATOM 1565 CD1 ILE A 97 1.023 11.782 -2.107 1.00 0.00 C ATOM 0 H ILE A 97 3.161 9.210 -3.981 1.00 0.00 H new ATOM 0 HA ILE A 97 1.160 7.793 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 97 1.299 10.333 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.391 9.848 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.091 9.932 -1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.061 10.791 -3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.875 9.439 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.258 9.115 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.249 12.151 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.747 12.186 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.020 12.099 -2.393 1.00 0.00 H new ATOM 1577 N GLU A 98 0.689 7.851 -5.950 1.00 0.00 N ATOM 1578 CA GLU A 98 0.025 7.158 -7.039 1.00 0.00 C ATOM 1579 C GLU A 98 0.381 5.670 -7.018 1.00 0.00 C ATOM 1580 O GLU A 98 -0.500 4.815 -7.092 1.00 0.00 O ATOM 1581 CB GLU A 98 0.380 7.787 -8.388 1.00 0.00 C ATOM 1582 CG GLU A 98 -0.805 7.719 -9.354 1.00 0.00 C ATOM 1583 CD GLU A 98 -0.734 8.844 -10.389 1.00 0.00 C ATOM 1584 OE1 GLU A 98 -0.556 10.003 -9.956 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -0.858 8.519 -11.589 1.00 0.00 O ATOM 0 H GLU A 98 1.248 8.656 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.052 7.256 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.676 8.826 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.236 7.270 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.811 6.754 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.738 7.792 -8.796 1.00 0.00 H new ATOM 1592 N GLU A 99 1.676 5.406 -6.915 1.00 0.00 N ATOM 1593 CA GLU A 99 2.160 4.036 -6.882 1.00 0.00 C ATOM 1594 C GLU A 99 1.467 3.255 -5.765 1.00 0.00 C ATOM 1595 O GLU A 99 0.840 2.227 -6.018 1.00 0.00 O ATOM 1596 CB GLU A 99 3.681 3.996 -6.718 1.00 0.00 C ATOM 1597 CG GLU A 99 4.338 3.248 -7.879 1.00 0.00 C ATOM 1598 CD GLU A 99 4.752 1.836 -7.457 1.00 0.00 C ATOM 1599 OE1 GLU A 99 3.995 1.236 -6.663 1.00 0.00 O ATOM 1600 OE2 GLU A 99 5.816 1.389 -7.937 1.00 0.00 O ATOM 0 H GLU A 99 2.404 6.117 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 99 1.918 3.562 -7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.072 5.012 -6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.936 3.510 -5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.645 3.192 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.213 3.800 -8.223 1.00 0.00 H new ATOM 1607 N ARG A 100 1.602 3.772 -4.552 1.00 0.00 N ATOM 1608 CA ARG A 100 0.997 3.135 -3.395 1.00 0.00 C ATOM 1609 C ARG A 100 -0.499 2.915 -3.633 1.00 0.00 C ATOM 1610 O ARG A 100 -0.989 1.792 -3.525 1.00 0.00 O ATOM 1611 CB ARG A 100 1.187 3.984 -2.137 1.00 0.00 C ATOM 1612 CG ARG A 100 0.927 3.159 -0.874 1.00 0.00 C ATOM 1613 CD ARG A 100 1.826 3.619 0.275 1.00 0.00 C ATOM 1614 NE ARG A 100 1.378 4.939 0.772 1.00 0.00 N ATOM 1615 CZ ARG A 100 2.073 5.693 1.635 1.00 0.00 C ATOM 1616 NH1 ARG A 100 3.253 5.262 2.101 1.00 0.00 N ATOM 1617 NH2 ARG A 100 1.588 6.877 2.031 1.00 0.00 N ATOM 0 H ARG A 100 2.122 4.625 -4.346 1.00 0.00 H new ATOM 0 HA ARG A 100 1.491 2.174 -3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.201 4.383 -2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.509 4.837 -2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.119 3.253 -0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.106 2.104 -1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.799 2.889 1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.860 3.681 -0.064 1.00 0.00 H new ATOM 0 HE ARG A 100 0.484 5.298 0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.622 4.360 1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.782 5.836 2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.690 7.205 1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.117 7.451 2.688 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.181 4.004 -3.951 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.611 3.945 -4.204 1.00 0.00 C ATOM 1633 C ARG A 101 -2.936 2.779 -5.141 1.00 0.00 C ATOM 1634 O ARG A 101 -3.588 1.817 -4.737 1.00 0.00 O ATOM 1635 CB ARG A 101 -3.115 5.247 -4.829 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.630 5.382 -4.669 1.00 0.00 C ATOM 1637 CD ARG A 101 -5.116 6.743 -5.172 1.00 0.00 C ATOM 1638 NE ARG A 101 -5.547 6.637 -6.583 1.00 0.00 N ATOM 1639 CZ ARG A 101 -5.791 7.690 -7.375 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -5.647 8.934 -6.899 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -6.178 7.499 -8.644 1.00 0.00 N ATOM 0 H ARG A 101 -0.770 4.933 -4.040 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.111 3.798 -3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.619 6.096 -4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.854 5.271 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.130 4.587 -5.222 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.901 5.260 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.944 7.093 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.318 7.480 -5.081 1.00 0.00 H new ATOM 0 HE ARG A 101 -5.666 5.704 -6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.352 9.080 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.833 9.735 -7.502 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -6.287 6.552 -9.007 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -6.364 8.301 -9.247 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.466 2.903 -6.373 1.00 0.00 N ATOM 1656 CA GLN A 102 -2.698 1.871 -7.370 1.00 0.00 C ATOM 1657 C GLN A 102 -2.537 0.484 -6.745 1.00 0.00 C ATOM 1658 O GLN A 102 -3.478 -0.309 -6.736 1.00 0.00 O ATOM 1659 CB GLN A 102 -1.761 2.045 -8.567 1.00 0.00 C ATOM 1660 CG GLN A 102 -2.244 3.172 -9.482 1.00 0.00 C ATOM 1661 CD GLN A 102 -1.191 3.510 -10.539 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -0.349 4.473 -10.175 1.00 0.00 O flip ATOM 1663 NE2 GLN A 102 -1.146 2.934 -11.614 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.926 3.702 -6.704 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.721 1.968 -7.734 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.753 2.264 -8.215 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -1.707 1.113 -9.130 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.172 2.876 -9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.465 4.058 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.824 2.203 -11.830 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.430 3.184 -12.297 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.339 0.233 -6.238 1.00 0.00 N ATOM 1673 CA GLY A 103 -1.044 -1.045 -5.613 1.00 0.00 C ATOM 1674 C GLY A 103 -2.205 -1.504 -4.728 1.00 0.00 C ATOM 1675 O GLY A 103 -2.820 -2.536 -4.992 1.00 0.00 O ATOM 0 H GLY A 103 -0.561 0.893 -6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.850 -1.793 -6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.137 -0.960 -5.014 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.469 -0.715 -3.697 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.545 -1.028 -2.773 1.00 0.00 C ATOM 1681 C LEU A 104 -4.780 -1.466 -3.563 1.00 0.00 C ATOM 1682 O LEU A 104 -5.270 -2.581 -3.387 1.00 0.00 O ATOM 1683 CB LEU A 104 -3.804 0.152 -1.833 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.657 0.523 -0.891 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -2.857 1.923 -0.308 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.482 -0.533 0.202 1.00 0.00 C ATOM 0 H LEU A 104 -1.956 0.140 -3.481 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.264 -1.863 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.048 1.026 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.684 -0.075 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.733 0.544 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.028 2.162 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.894 2.652 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.792 1.954 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.660 -0.245 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.401 -0.610 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.260 -1.497 -0.256 1.00 0.00 H new ATOM 1698 N GLU A 105 -5.247 -0.567 -4.416 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.415 -0.847 -5.234 1.00 0.00 C ATOM 1700 C GLU A 105 -6.339 -2.267 -5.799 1.00 0.00 C ATOM 1701 O GLU A 105 -7.316 -3.013 -5.746 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.558 0.182 -6.357 1.00 0.00 C ATOM 1703 CG GLU A 105 -8.015 0.300 -6.811 1.00 0.00 C ATOM 1704 CD GLU A 105 -8.123 0.214 -8.334 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -7.268 0.837 -9.000 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -9.058 -0.474 -8.799 1.00 0.00 O ATOM 0 H GLU A 105 -4.838 0.356 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.301 -0.774 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.201 1.153 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.932 -0.107 -7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.607 -0.494 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.432 1.246 -6.466 1.00 0.00 H new ATOM 1713 N GLN A 106 -5.170 -2.599 -6.326 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.954 -3.916 -6.900 1.00 0.00 C ATOM 1715 C GLN A 106 -5.068 -4.991 -5.818 1.00 0.00 C ATOM 1716 O GLN A 106 -5.855 -5.928 -5.949 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.599 -3.991 -7.607 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.752 -3.759 -9.111 1.00 0.00 C ATOM 1719 CD GLN A 106 -3.324 -4.997 -9.903 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -2.718 -5.919 -9.382 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -3.671 -4.966 -11.186 1.00 0.00 N ATOM 0 H GLN A 106 -4.362 -1.978 -6.368 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.727 -4.096 -7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.924 -3.245 -7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.146 -4.966 -7.430 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.789 -3.516 -9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.149 -2.903 -9.414 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.178 -4.163 -11.558 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.430 -5.745 -11.798 1.00 0.00 H new ATOM 1730 N PHE A 107 -4.272 -4.821 -4.773 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.273 -5.766 -3.669 1.00 0.00 C ATOM 1732 C PHE A 107 -5.702 -6.150 -3.279 1.00 0.00 C ATOM 1733 O PHE A 107 -6.064 -7.325 -3.315 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.603 -5.069 -2.483 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.965 -5.669 -1.123 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -5.055 -5.215 -0.447 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -3.198 -6.657 -0.590 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.391 -5.772 0.815 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.534 -7.214 0.673 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.623 -6.760 1.348 1.00 0.00 C ATOM 0 H PHE A 107 -3.621 -4.043 -4.667 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.746 -6.676 -3.957 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.522 -5.114 -2.612 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.881 -4.015 -2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.665 -4.431 -0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.333 -7.018 -1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.256 -5.411 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.924 -7.998 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.879 -7.184 2.308 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.474 -5.138 -2.914 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.855 -5.355 -2.517 1.00 0.00 C ATOM 1752 C ILE A 108 -8.629 -5.960 -3.690 1.00 0.00 C ATOM 1753 O ILE A 108 -9.326 -6.960 -3.528 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.468 -4.060 -1.978 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.751 -4.346 -1.195 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.696 -3.051 -3.105 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -9.434 -4.772 0.240 1.00 0.00 C ATOM 0 H ILE A 108 -6.170 -4.165 -2.885 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.907 -6.071 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.760 -3.610 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.380 -3.456 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.319 -5.131 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.132 -2.140 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.744 -2.815 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.375 -3.478 -3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.363 -4.969 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.825 -5.676 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.888 -3.975 0.744 1.00 0.00 H new ATOM 1769 N ASN A 109 -8.481 -5.327 -4.845 1.00 0.00 N ATOM 1770 CA ASN A 109 -9.157 -5.791 -6.044 1.00 0.00 C ATOM 1771 C ASN A 109 -9.024 -7.312 -6.144 1.00 0.00 C ATOM 1772 O ASN A 109 -9.960 -7.994 -6.560 1.00 0.00 O ATOM 1773 CB ASN A 109 -8.533 -5.178 -7.300 1.00 0.00 C ATOM 1774 CG ASN A 109 -9.433 -4.087 -7.884 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -10.256 -4.325 -8.752 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -9.231 -2.882 -7.359 1.00 0.00 N ATOM 0 H ASN A 109 -7.903 -4.497 -4.975 1.00 0.00 H new ATOM 0 HA ASN A 109 -10.203 -5.492 -5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.557 -4.758 -7.057 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -8.369 -5.956 -8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.782 -2.087 -7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.525 -2.753 -6.635 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.855 -7.798 -5.756 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.588 -9.226 -5.796 1.00 0.00 C ATOM 1785 C LYS A 110 -8.052 -9.865 -4.486 1.00 0.00 C ATOM 1786 O LYS A 110 -8.627 -10.952 -4.490 1.00 0.00 O ATOM 1787 CB LYS A 110 -6.115 -9.487 -6.119 1.00 0.00 C ATOM 1788 CG LYS A 110 -5.949 -9.978 -7.559 1.00 0.00 C ATOM 1789 CD LYS A 110 -5.145 -11.279 -7.605 1.00 0.00 C ATOM 1790 CE LYS A 110 -3.647 -11.004 -7.462 1.00 0.00 C ATOM 1791 NZ LYS A 110 -3.187 -11.337 -6.095 1.00 0.00 N ATOM 0 H LYS A 110 -7.082 -7.229 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.155 -9.697 -6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.539 -8.573 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.714 -10.229 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.929 -10.136 -8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.446 -9.214 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.474 -11.942 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.335 -11.795 -8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.092 -11.593 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.442 -9.955 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.149 -11.291 -6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.588 -10.657 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.500 -12.297 -5.848 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.786 -9.162 -3.395 1.00 0.00 N ATOM 1806 CA ILE A 111 -8.169 -9.646 -2.080 1.00 0.00 C ATOM 1807 C ILE A 111 -9.674 -9.922 -2.061 1.00 0.00 C ATOM 1808 O ILE A 111 -10.109 -10.984 -1.618 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.709 -8.671 -0.994 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.845 -9.381 0.050 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.902 -7.954 -0.360 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.684 -9.811 1.255 1.00 0.00 C ATOM 0 H ILE A 111 -7.309 -8.260 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.668 -10.589 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.087 -7.908 -1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.371 -10.254 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.045 -8.717 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.547 -7.267 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.440 -7.395 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.570 -8.688 0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.046 -10.313 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.137 -8.933 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.468 -10.494 0.927 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.428 -8.947 -2.548 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.875 -9.071 -2.592 1.00 0.00 C ATOM 1826 C ALA A 112 -12.250 -10.326 -3.383 1.00 0.00 C ATOM 1827 O ALA A 112 -12.932 -11.209 -2.865 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.478 -7.800 -3.195 1.00 0.00 C ATOM 0 H ALA A 112 -10.064 -8.068 -2.915 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.282 -9.180 -1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.564 -7.893 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.206 -6.941 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -12.095 -7.660 -4.206 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.789 -10.365 -4.624 1.00 0.00 N ATOM 1835 CA GLY A 113 -12.068 -11.497 -5.491 1.00 0.00 C ATOM 1836 C GLY A 113 -11.986 -12.814 -4.716 1.00 0.00 C ATOM 1837 O GLY A 113 -12.715 -13.760 -5.013 1.00 0.00 O ATOM 0 H GLY A 113 -11.224 -9.631 -5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.061 -11.389 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.356 -11.512 -6.316 1.00 0.00 H new ATOM 1841 N HIS A 114 -11.092 -12.834 -3.738 1.00 0.00 N ATOM 1842 CA HIS A 114 -10.905 -14.019 -2.919 1.00 0.00 C ATOM 1843 C HIS A 114 -12.228 -14.391 -2.245 1.00 0.00 C ATOM 1844 O HIS A 114 -12.896 -13.536 -1.666 1.00 0.00 O ATOM 1845 CB HIS A 114 -9.767 -13.813 -1.917 1.00 0.00 C ATOM 1846 CG HIS A 114 -8.961 -15.059 -1.638 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -9.321 -15.985 -0.674 1.00 0.00 N ATOM 1848 CD2 HIS A 114 -7.812 -15.523 -2.207 1.00 0.00 C ATOM 1849 CE1 HIS A 114 -8.421 -16.957 -0.671 1.00 0.00 C ATOM 1850 NE2 HIS A 114 -7.486 -16.669 -1.621 1.00 0.00 N ATOM 0 H HIS A 114 -10.489 -12.048 -3.495 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.609 -14.858 -3.549 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.100 -13.038 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.184 -13.445 -0.980 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.260 -15.040 -3.000 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.427 -17.825 -0.029 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -6.671 -17.240 -1.845 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.575 -15.702 -2.346 1.00 0.00 N ATOM 1859 CA PRO A 115 -13.806 -16.198 -1.754 1.00 0.00 C ATOM 1860 C PRO A 115 -13.675 -16.314 -0.234 1.00 0.00 C ATOM 1861 O PRO A 115 -14.581 -15.929 0.502 1.00 0.00 O ATOM 1862 CB PRO A 115 -14.058 -17.534 -2.432 1.00 0.00 C ATOM 1863 CG PRO A 115 -12.727 -17.954 -3.035 1.00 0.00 C ATOM 1864 CD PRO A 115 -11.809 -16.743 -3.025 1.00 0.00 C ATOM 0 HA PRO A 115 -14.648 -15.524 -1.908 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.413 -18.275 -1.715 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.824 -17.443 -3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.288 -18.770 -2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -12.867 -18.319 -4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.878 -16.956 -2.499 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.541 -16.441 -4.037 1.00 0.00 H new ATOM 1872 N LEU A 116 -12.538 -16.847 0.191 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.277 -17.019 1.610 1.00 0.00 C ATOM 1874 C LEU A 116 -12.393 -15.665 2.313 1.00 0.00 C ATOM 1875 O LEU A 116 -12.870 -15.588 3.444 1.00 0.00 O ATOM 1876 CB LEU A 116 -10.930 -17.712 1.826 1.00 0.00 C ATOM 1877 CG LEU A 116 -10.669 -18.953 0.971 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -9.617 -19.855 1.621 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -11.970 -19.705 0.685 1.00 0.00 C ATOM 0 H LEU A 116 -11.788 -17.165 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.022 -17.676 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.137 -16.989 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.854 -17.996 2.876 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.267 -18.628 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.450 -20.730 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.683 -19.304 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.968 -20.174 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.756 -20.583 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.424 -20.018 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.658 -19.051 0.150 1.00 0.00 H new ATOM 1891 N ALA A 117 -11.948 -14.632 1.614 1.00 0.00 N ATOM 1892 CA ALA A 117 -11.995 -13.285 2.157 1.00 0.00 C ATOM 1893 C ALA A 117 -13.442 -12.787 2.149 1.00 0.00 C ATOM 1894 O ALA A 117 -13.930 -12.272 3.154 1.00 0.00 O ATOM 1895 CB ALA A 117 -11.062 -12.377 1.353 1.00 0.00 C ATOM 0 H ALA A 117 -11.553 -14.700 0.676 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.648 -13.276 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -11.097 -11.367 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.042 -12.757 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.381 -12.359 0.311 1.00 0.00 H new ATOM 1901 N GLN A 118 -14.087 -12.959 1.005 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.469 -12.534 0.854 1.00 0.00 C ATOM 1903 C GLN A 118 -16.302 -13.002 2.048 1.00 0.00 C ATOM 1904 O GLN A 118 -17.327 -12.401 2.368 1.00 0.00 O ATOM 1905 CB GLN A 118 -16.059 -13.047 -0.461 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.648 -12.153 -1.633 1.00 0.00 C ATOM 1907 CD GLN A 118 -16.168 -12.712 -2.959 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -17.060 -13.544 -3.004 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.563 -12.211 -4.032 1.00 0.00 N ATOM 0 H GLN A 118 -13.679 -13.387 0.174 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.493 -11.445 0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.721 -14.067 -0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -17.146 -13.079 -0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -16.038 -11.146 -1.481 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.562 -12.072 -1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.823 -11.517 -3.923 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.839 -12.521 -4.964 1.00 0.00 H new ATOM 1918 N ASN A 119 -15.831 -14.069 2.676 1.00 0.00 N ATOM 1919 CA ASN A 119 -16.520 -14.624 3.829 1.00 0.00 C ATOM 1920 C ASN A 119 -16.033 -13.920 5.096 1.00 0.00 C ATOM 1921 O ASN A 119 -16.834 -13.564 5.959 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.229 -16.119 3.977 1.00 0.00 C ATOM 1923 CG ASN A 119 -17.473 -16.954 3.666 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -17.786 -17.247 2.524 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -18.163 -17.318 4.743 1.00 0.00 N ATOM 0 H ASN A 119 -14.980 -14.564 2.408 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.590 -14.477 3.685 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -15.419 -16.403 3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -15.891 -16.328 4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -19.010 -17.877 4.641 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -17.845 -17.039 5.671 1.00 0.00 H new ATOM 1932 N GLU A 120 -14.723 -13.739 5.169 1.00 0.00 N ATOM 1933 CA GLU A 120 -14.120 -13.084 6.317 1.00 0.00 C ATOM 1934 C GLU A 120 -14.841 -11.767 6.615 1.00 0.00 C ATOM 1935 O GLU A 120 -15.179 -11.019 5.700 1.00 0.00 O ATOM 1936 CB GLU A 120 -12.624 -12.851 6.093 1.00 0.00 C ATOM 1937 CG GLU A 120 -11.825 -14.128 6.359 1.00 0.00 C ATOM 1938 CD GLU A 120 -12.006 -14.597 7.805 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -11.235 -14.110 8.660 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -12.912 -15.430 8.021 1.00 0.00 O ATOM 0 H GLU A 120 -14.062 -14.035 4.451 1.00 0.00 H new ATOM 0 HA GLU A 120 -14.227 -13.739 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.453 -12.518 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.274 -12.055 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.149 -14.913 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -10.768 -13.948 6.161 1.00 0.00 H new ATOM 1947 N ARG A 121 -15.055 -11.525 7.900 1.00 0.00 N ATOM 1948 CA ARG A 121 -15.729 -10.312 8.331 1.00 0.00 C ATOM 1949 C ARG A 121 -14.733 -9.154 8.420 1.00 0.00 C ATOM 1950 O ARG A 121 -15.044 -8.032 8.024 1.00 0.00 O ATOM 1951 CB ARG A 121 -16.397 -10.508 9.693 1.00 0.00 C ATOM 1952 CG ARG A 121 -17.872 -10.883 9.532 1.00 0.00 C ATOM 1953 CD ARG A 121 -18.071 -12.394 9.665 1.00 0.00 C ATOM 1954 NE ARG A 121 -19.315 -12.676 10.416 1.00 0.00 N ATOM 1955 CZ ARG A 121 -20.548 -12.504 9.919 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -20.709 -12.049 8.669 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -21.619 -12.786 10.673 1.00 0.00 N ATOM 0 H ARG A 121 -14.774 -12.148 8.657 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.497 -10.079 7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -15.878 -11.290 10.247 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -16.313 -9.592 10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.467 -10.367 10.286 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.232 -10.549 8.559 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.121 -12.851 8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -17.218 -12.838 10.178 1.00 0.00 H new ATOM 0 HE ARG A 121 -19.229 -13.023 11.371 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -19.893 -11.834 8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.647 -11.918 8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -21.496 -13.131 11.625 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.557 -12.655 10.295 1.00 0.00 H new ATOM 1971 N CYS A 122 -13.557 -9.467 8.943 1.00 0.00 N ATOM 1972 CA CYS A 122 -12.514 -8.466 9.090 1.00 0.00 C ATOM 1973 C CYS A 122 -12.437 -7.658 7.793 1.00 0.00 C ATOM 1974 O CYS A 122 -12.283 -6.438 7.825 1.00 0.00 O ATOM 1975 CB CYS A 122 -11.168 -9.100 9.447 1.00 0.00 C ATOM 1976 SG CYS A 122 -10.656 -10.266 8.132 1.00 0.00 S ATOM 0 H CYS A 122 -13.303 -10.399 9.270 1.00 0.00 H new ATOM 0 HA CYS A 122 -12.760 -7.801 9.918 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -10.413 -8.324 9.570 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -11.245 -9.624 10.399 1.00 0.00 H new ATOM 0 HG CYS A 122 -9.511 -10.797 8.444 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.549 -8.371 6.681 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.495 -7.736 5.376 1.00 0.00 C ATOM 1984 C LEU A 123 -13.644 -6.733 5.253 1.00 0.00 C ATOM 1985 O LEU A 123 -13.414 -5.545 5.033 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.478 -8.790 4.267 1.00 0.00 C ATOM 1987 CG LEU A 123 -12.792 -8.285 2.857 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.564 -7.628 2.224 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.355 -9.410 1.985 1.00 0.00 C ATOM 0 H LEU A 123 -12.677 -9.383 6.658 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.568 -7.174 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.494 -9.258 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.198 -9.568 4.521 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.564 -7.519 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -11.814 -7.278 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.248 -6.783 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.754 -8.355 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -13.570 -9.025 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -12.624 -10.215 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.273 -9.792 2.432 1.00 0.00 H new ATOM 2001 N HIS A 124 -14.855 -7.248 5.402 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.040 -6.413 5.311 1.00 0.00 C ATOM 2003 C HIS A 124 -15.778 -5.073 6.001 1.00 0.00 C ATOM 2004 O HIS A 124 -15.830 -4.021 5.364 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.263 -7.140 5.874 1.00 0.00 C ATOM 2006 CG HIS A 124 -17.916 -8.090 4.899 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -17.969 -9.452 4.881 1.00 0.00 N flip ATOM 2008 CD2 HIS A 124 -18.614 -7.657 3.785 1.00 0.00 C flip ATOM 2009 CE1 HIS A 124 -18.663 -9.831 3.815 1.00 0.00 C flip ATOM 2010 NE2 HIS A 124 -19.064 -8.720 3.134 1.00 0.00 N flip ATOM 0 H HIS A 124 -15.041 -8.234 5.585 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.263 -6.206 4.264 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -16.965 -7.696 6.763 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -17.998 -6.400 6.192 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -17.547 -10.074 5.570 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -18.766 -6.628 3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -18.875 -10.852 3.533 1.00 0.00 H new ATOM 2018 N MET A 125 -15.501 -5.153 7.294 1.00 0.00 N ATOM 2019 CA MET A 125 -15.230 -3.960 8.077 1.00 0.00 C ATOM 2020 C MET A 125 -14.426 -2.942 7.266 1.00 0.00 C ATOM 2021 O MET A 125 -14.864 -1.808 7.078 1.00 0.00 O ATOM 2022 CB MET A 125 -14.448 -4.342 9.336 1.00 0.00 C ATOM 2023 CG MET A 125 -14.764 -3.387 10.488 1.00 0.00 C ATOM 2024 SD MET A 125 -13.249 -2.773 11.205 1.00 0.00 S ATOM 2025 CE MET A 125 -12.820 -4.152 12.254 1.00 0.00 C ATOM 0 H MET A 125 -15.458 -6.026 7.819 1.00 0.00 H new ATOM 0 HA MET A 125 -16.182 -3.506 8.353 1.00 0.00 H new ATOM 0 HB2 MET A 125 -14.696 -5.363 9.627 1.00 0.00 H new ATOM 0 HB3 MET A 125 -13.379 -4.321 9.125 1.00 0.00 H new ATOM 0 HG2 MET A 125 -15.368 -2.555 10.126 1.00 0.00 H new ATOM 0 HG3 MET A 125 -15.353 -3.902 11.247 1.00 0.00 H new ATOM 0 HE1 MET A 125 -11.881 -3.941 12.767 1.00 0.00 H new ATOM 0 HE2 MET A 125 -13.608 -4.308 12.990 1.00 0.00 H new ATOM 0 HE3 MET A 125 -12.708 -5.050 11.647 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.265 -3.384 6.806 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.396 -2.526 6.019 1.00 0.00 C ATOM 2037 C PHE A 126 -13.212 -1.619 5.095 1.00 0.00 C ATOM 2038 O PHE A 126 -12.805 -0.495 4.804 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.514 -3.441 5.168 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.225 -2.781 4.674 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -9.203 -2.554 5.542 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -10.102 -2.422 3.369 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -8.006 -1.942 5.084 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -8.906 -1.809 2.911 1.00 0.00 C ATOM 2045 CZ PHE A 126 -7.883 -1.582 3.778 1.00 0.00 C ATOM 0 H PHE A 126 -12.906 -4.326 6.963 1.00 0.00 H new ATOM 0 HA PHE A 126 -11.805 -1.890 6.678 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -11.257 -4.325 5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -12.088 -3.783 4.307 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.302 -2.839 6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.914 -2.603 2.680 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.194 -1.762 5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -8.809 -1.523 1.874 1.00 0.00 H new ATOM 0 HZ PHE A 126 -6.973 -1.116 3.430 1.00 0.00 H new ATOM 2055 N LEU A 127 -14.348 -2.142 4.659 1.00 0.00 N ATOM 2056 CA LEU A 127 -15.225 -1.394 3.774 1.00 0.00 C ATOM 2057 C LEU A 127 -16.525 -1.064 4.509 1.00 0.00 C ATOM 2058 O LEU A 127 -16.902 -1.758 5.453 1.00 0.00 O ATOM 2059 CB LEU A 127 -15.436 -2.153 2.462 1.00 0.00 C ATOM 2060 CG LEU A 127 -14.191 -2.806 1.857 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -14.566 -4.039 1.032 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -13.382 -1.795 1.042 1.00 0.00 C ATOM 0 H LEU A 127 -14.682 -3.075 4.902 1.00 0.00 H new ATOM 0 HA LEU A 127 -14.766 -0.445 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -16.183 -2.928 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.852 -1.462 1.729 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.552 -3.146 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.664 -4.485 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.067 -4.766 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.235 -3.746 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -12.503 -2.285 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -13.999 -1.403 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -13.067 -0.975 1.688 1.00 0.00 H new ATOM 2074 N GLN A 128 -17.175 -0.005 4.050 1.00 0.00 N ATOM 2075 CA GLN A 128 -18.426 0.425 4.653 1.00 0.00 C ATOM 2076 C GLN A 128 -18.155 1.173 5.960 1.00 0.00 C ATOM 2077 O GLN A 128 -18.603 2.305 6.136 1.00 0.00 O ATOM 2078 CB GLN A 128 -19.360 -0.764 4.885 1.00 0.00 C ATOM 2079 CG GLN A 128 -19.410 -1.671 3.654 1.00 0.00 C ATOM 2080 CD GLN A 128 -20.407 -2.814 3.855 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -21.010 -2.969 4.904 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -20.546 -3.603 2.793 1.00 0.00 N ATOM 0 H GLN A 128 -16.859 0.568 3.268 1.00 0.00 H new ATOM 0 HA GLN A 128 -18.924 1.107 3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.019 -1.335 5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -20.362 -0.404 5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -19.693 -1.087 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -18.418 -2.079 3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.010 -3.416 1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -21.188 -4.395 2.826 1.00 0.00 H new ATOM 2091 N GLU A 129 -17.424 0.510 6.844 1.00 0.00 N ATOM 2092 CA GLU A 129 -17.088 1.098 8.129 1.00 0.00 C ATOM 2093 C GLU A 129 -16.089 2.242 7.945 1.00 0.00 C ATOM 2094 O GLU A 129 -14.958 2.021 7.516 1.00 0.00 O ATOM 2095 CB GLU A 129 -16.539 0.041 9.090 1.00 0.00 C ATOM 2096 CG GLU A 129 -17.615 -0.413 10.078 1.00 0.00 C ATOM 2097 CD GLU A 129 -17.415 0.243 11.446 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -17.736 1.447 11.550 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -16.946 -0.474 12.356 1.00 0.00 O ATOM 0 H GLU A 129 -17.055 -0.429 6.695 1.00 0.00 H new ATOM 0 HA GLU A 129 -17.999 1.504 8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.175 -0.816 8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -15.687 0.448 9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -18.601 -0.159 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -17.583 -1.498 10.183 1.00 0.00 H new ATOM 2106 N GLU A 130 -16.544 3.441 8.279 1.00 0.00 N ATOM 2107 CA GLU A 130 -15.704 4.621 8.155 1.00 0.00 C ATOM 2108 C GLU A 130 -14.343 4.374 8.809 1.00 0.00 C ATOM 2109 O GLU A 130 -13.304 4.607 8.194 1.00 0.00 O ATOM 2110 CB GLU A 130 -16.390 5.847 8.761 1.00 0.00 C ATOM 2111 CG GLU A 130 -17.232 5.460 9.978 1.00 0.00 C ATOM 2112 CD GLU A 130 -18.726 5.555 9.664 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -19.098 6.522 8.965 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -19.462 4.658 10.129 1.00 0.00 O ATOM 0 H GLU A 130 -17.483 3.621 8.635 1.00 0.00 H new ATOM 0 HA GLU A 130 -15.545 4.821 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -15.639 6.581 9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -17.024 6.321 8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -16.986 4.444 10.287 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -16.990 6.115 10.815 1.00 0.00 H new ATOM 2121 N ALA A 131 -14.393 3.906 10.048 1.00 0.00 N ATOM 2122 CA ALA A 131 -13.177 3.626 10.791 1.00 0.00 C ATOM 2123 C ALA A 131 -13.078 2.121 11.050 1.00 0.00 C ATOM 2124 O ALA A 131 -14.061 1.396 10.901 1.00 0.00 O ATOM 2125 CB ALA A 131 -13.171 4.441 12.086 1.00 0.00 C ATOM 0 H ALA A 131 -15.257 3.714 10.555 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.299 3.921 10.216 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.258 4.231 12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -13.214 5.504 11.847 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -14.036 4.170 12.691 1.00 0.00 H new ATOM 2131 N ILE A 132 -11.883 1.696 11.433 1.00 0.00 N ATOM 2132 CA ILE A 132 -11.644 0.290 11.713 1.00 0.00 C ATOM 2133 C ILE A 132 -11.884 0.024 13.201 1.00 0.00 C ATOM 2134 O ILE A 132 -11.051 0.364 14.039 1.00 0.00 O ATOM 2135 CB ILE A 132 -10.251 -0.122 11.232 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -10.089 0.139 9.733 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -9.954 -1.578 11.596 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -10.901 -0.865 8.911 1.00 0.00 C ATOM 0 H ILE A 132 -11.070 2.300 11.556 1.00 0.00 H new ATOM 0 HA ILE A 132 -12.345 -0.334 11.159 1.00 0.00 H new ATOM 0 HB ILE A 132 -9.515 0.495 11.747 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -10.414 1.153 9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -9.036 0.071 9.460 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -8.958 -1.845 11.243 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.000 -1.699 12.678 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -10.692 -2.228 11.127 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.769 -0.658 7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -10.557 -1.876 9.129 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -11.956 -0.777 9.169 1.00 0.00 H new ATOM 2150 N ASP A 133 -13.027 -0.583 13.483 1.00 0.00 N ATOM 2151 CA ASP A 133 -13.388 -0.900 14.854 1.00 0.00 C ATOM 2152 C ASP A 133 -12.715 -2.211 15.264 1.00 0.00 C ATOM 2153 O ASP A 133 -13.363 -3.256 15.316 1.00 0.00 O ATOM 2154 CB ASP A 133 -14.901 -1.079 14.999 1.00 0.00 C ATOM 2155 CG ASP A 133 -15.429 -0.986 16.432 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -14.585 -1.033 17.352 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -16.665 -0.868 16.574 1.00 0.00 O ATOM 0 H ASP A 133 -13.716 -0.864 12.785 1.00 0.00 H new ATOM 0 HA ASP A 133 -13.061 -0.076 15.488 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -15.401 -0.323 14.394 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -15.178 -2.050 14.588 1.00 0.00 H new ATOM 2162 N ARG A 134 -11.424 -2.114 15.545 1.00 0.00 N ATOM 2163 CA ARG A 134 -10.656 -3.280 15.949 1.00 0.00 C ATOM 2164 C ARG A 134 -11.500 -4.185 16.849 1.00 0.00 C ATOM 2165 O ARG A 134 -12.079 -3.724 17.831 1.00 0.00 O ATOM 2166 CB ARG A 134 -9.386 -2.871 16.697 1.00 0.00 C ATOM 2167 CG ARG A 134 -8.452 -2.065 15.791 1.00 0.00 C ATOM 2168 CD ARG A 134 -6.986 -2.362 16.112 1.00 0.00 C ATOM 2169 NE ARG A 134 -6.363 -1.188 16.763 1.00 0.00 N ATOM 2170 CZ ARG A 134 -5.824 -0.158 16.098 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -5.828 -0.150 14.758 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -5.280 0.865 16.772 1.00 0.00 N ATOM 0 H ARG A 134 -10.890 -1.246 15.501 1.00 0.00 H new ATOM 0 HA ARG A 134 -10.374 -3.821 15.046 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.650 -2.278 17.573 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.870 -3.761 17.058 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -8.655 -2.305 14.747 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.647 -1.000 15.917 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -6.917 -3.231 16.767 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.448 -2.609 15.197 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.343 -1.162 17.782 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -6.242 -0.928 14.245 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -5.418 0.634 14.251 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -5.276 0.859 17.792 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -4.870 1.649 16.265 1.00 0.00 H new