USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.551 K(o=1.2,f=-1.5) USER MOD Set 1.3: A 81 THR OG1 : rot -134:sc= 0.636 USER MOD Set 2.1: A 72 LYS NZ :NH3+ -156:sc= 0.659 (180deg=0) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0.582 USER MOD Set 3.1: A 48 SER OG : rot -77:sc= 0.651 USER MOD Set 3.2: A 71 LYS NZ :NH3+ 140:sc= -0.895 (180deg=-3.32!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.136 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.663 K(o=0.66,f=-0.052) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0565 X(o=-0.056,f=-0.23) USER MOD Single : A 29 THR OG1 : rot 160:sc= -0.484 USER MOD Single : A 30 SER OG : rot 77:sc= 1.29 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.837 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.8) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 0:sc= -0.0596 USER MOD Single : A 64 GLN : amide:sc= 0.775 K(o=0.78,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.266 F(o=-1.4!,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 6 -8.062 9.203 3.273 1.00 0.00 N ATOM 82 CA PRO A 6 -6.814 9.417 4.015 1.00 0.00 C ATOM 83 C PRO A 6 -6.282 8.132 4.643 1.00 0.00 C ATOM 84 O PRO A 6 -7.031 7.174 4.870 1.00 0.00 O ATOM 85 CB PRO A 6 -7.208 10.419 5.101 1.00 0.00 C ATOM 86 CG PRO A 6 -8.674 10.233 5.275 1.00 0.00 C ATOM 87 CD PRO A 6 -9.205 9.870 3.917 1.00 0.00 C ATOM 0 HA PRO A 6 -6.013 9.768 3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.672 10.227 6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.971 11.440 4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.885 9.447 6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.142 11.144 5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.069 9.209 3.987 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.522 10.752 3.360 1.00 0.00 H new ATOM 95 N ILE A 7 -4.991 8.125 4.951 1.00 0.00 N ATOM 96 CA ILE A 7 -4.333 6.925 5.446 1.00 0.00 C ATOM 97 C ILE A 7 -4.808 6.575 6.856 1.00 0.00 C ATOM 98 O ILE A 7 -4.805 5.409 7.244 1.00 0.00 O ATOM 99 CB ILE A 7 -2.789 7.065 5.419 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.123 5.721 5.733 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.320 8.132 6.397 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.538 4.612 4.794 1.00 0.00 C ATOM 0 H ILE A 7 -4.380 8.937 4.866 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.609 6.111 4.776 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.496 7.374 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.041 5.841 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.368 5.432 6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.233 8.209 6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.762 9.091 6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.628 7.861 7.407 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.029 3.689 5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.616 4.466 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.268 4.880 3.773 1.00 0.00 H new ATOM 114 N THR A 8 -5.255 7.581 7.600 1.00 0.00 N ATOM 115 CA THR A 8 -5.745 7.372 8.958 1.00 0.00 C ATOM 116 C THR A 8 -6.939 6.411 8.973 1.00 0.00 C ATOM 117 O THR A 8 -7.236 5.795 9.997 1.00 0.00 O ATOM 118 CB THR A 8 -6.139 8.711 9.630 1.00 0.00 C ATOM 119 OG1 THR A 8 -6.553 8.485 10.984 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.262 9.403 8.867 1.00 0.00 C ATOM 0 H THR A 8 -5.288 8.551 7.285 1.00 0.00 H new ATOM 0 HA THR A 8 -4.929 6.927 9.528 1.00 0.00 H new ATOM 0 HB THR A 8 -5.261 9.357 9.619 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.798 9.339 11.398 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.516 10.340 9.363 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.936 9.609 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.139 8.756 8.844 1.00 0.00 H new ATOM 128 N GLU A 9 -7.604 6.277 7.831 1.00 0.00 N ATOM 129 CA GLU A 9 -8.742 5.381 7.706 1.00 0.00 C ATOM 130 C GLU A 9 -8.309 4.058 7.078 1.00 0.00 C ATOM 131 O GLU A 9 -8.606 2.976 7.591 1.00 0.00 O ATOM 132 CB GLU A 9 -9.827 6.024 6.838 1.00 0.00 C ATOM 133 CG GLU A 9 -10.301 7.378 7.343 1.00 0.00 C ATOM 134 CD GLU A 9 -10.982 7.291 8.692 1.00 0.00 C ATOM 135 OE1 GLU A 9 -12.201 7.024 8.729 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.303 7.486 9.717 1.00 0.00 O ATOM 0 H GLU A 9 -7.371 6.781 6.976 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.141 5.191 8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.445 6.139 5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.681 5.349 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.449 8.054 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.992 7.810 6.619 1.00 0.00 H new ATOM 143 N VAL A 10 -7.582 4.159 5.975 1.00 0.00 N ATOM 144 CA VAL A 10 -7.234 2.991 5.178 1.00 0.00 C ATOM 145 C VAL A 10 -6.221 2.095 5.887 1.00 0.00 C ATOM 146 O VAL A 10 -6.289 0.878 5.769 1.00 0.00 O ATOM 147 CB VAL A 10 -6.696 3.403 3.792 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.226 2.190 3.000 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.768 4.155 3.018 1.00 0.00 C ATOM 0 H VAL A 10 -7.221 5.040 5.610 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.152 2.418 5.044 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.838 4.058 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.853 2.512 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.429 1.686 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.060 1.503 2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.378 4.441 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.640 3.514 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.055 5.050 3.570 1.00 0.00 H new ATOM 159 N LEU A 11 -5.305 2.698 6.640 1.00 0.00 N ATOM 160 CA LEU A 11 -4.269 1.945 7.346 1.00 0.00 C ATOM 161 C LEU A 11 -4.869 0.827 8.226 1.00 0.00 C ATOM 162 O LEU A 11 -4.592 -0.352 7.992 1.00 0.00 O ATOM 163 CB LEU A 11 -3.395 2.907 8.169 1.00 0.00 C ATOM 164 CG LEU A 11 -2.581 2.272 9.293 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.598 1.255 8.745 1.00 0.00 C ATOM 166 CD2 LEU A 11 -1.856 3.342 10.093 1.00 0.00 C ATOM 0 H LEU A 11 -5.258 3.708 6.778 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.640 1.450 6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.708 3.414 7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.039 3.673 8.601 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.269 1.749 9.957 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.031 0.818 9.567 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.142 0.469 8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.914 1.746 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.280 2.872 10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.183 3.894 9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.584 4.028 10.526 1.00 0.00 H new ATOM 178 N PRO A 12 -5.697 1.160 9.241 1.00 0.00 N ATOM 179 CA PRO A 12 -6.320 0.145 10.099 1.00 0.00 C ATOM 180 C PRO A 12 -7.354 -0.706 9.362 1.00 0.00 C ATOM 181 O PRO A 12 -7.607 -1.852 9.740 1.00 0.00 O ATOM 182 CB PRO A 12 -6.994 0.966 11.203 1.00 0.00 C ATOM 183 CG PRO A 12 -7.207 2.310 10.603 1.00 0.00 C ATOM 184 CD PRO A 12 -6.063 2.526 9.659 1.00 0.00 C ATOM 0 HA PRO A 12 -5.583 -0.569 10.467 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.938 0.516 11.510 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.365 1.025 12.092 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.161 2.356 10.077 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.229 3.082 11.372 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.356 3.141 8.808 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.230 3.033 10.147 1.00 0.00 H new ATOM 192 N ARG A 13 -7.951 -0.154 8.309 1.00 0.00 N ATOM 193 CA ARG A 13 -8.984 -0.863 7.564 1.00 0.00 C ATOM 194 C ARG A 13 -8.410 -1.693 6.411 1.00 0.00 C ATOM 195 O ARG A 13 -9.161 -2.293 5.641 1.00 0.00 O ATOM 196 CB ARG A 13 -10.016 0.132 7.039 1.00 0.00 C ATOM 197 CG ARG A 13 -10.900 0.707 8.133 1.00 0.00 C ATOM 198 CD ARG A 13 -11.843 1.770 7.600 1.00 0.00 C ATOM 199 NE ARG A 13 -12.784 2.218 8.626 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.135 3.486 8.821 1.00 0.00 C ATOM 201 NH1 ARG A 13 -12.624 4.447 8.063 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.999 3.790 9.780 1.00 0.00 N ATOM 0 H ARG A 13 -7.737 0.778 7.954 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.462 -1.562 8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.500 0.947 6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.642 -0.361 6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.479 -0.095 8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.275 1.136 8.916 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.266 2.621 7.238 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.395 1.374 6.748 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.199 1.511 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.958 4.215 7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.897 5.418 8.217 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.392 3.053 10.365 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.271 4.761 9.933 1.00 0.00 H new ATOM 216 N ALA A 14 -7.089 -1.738 6.301 1.00 0.00 N ATOM 217 CA ALA A 14 -6.440 -2.503 5.241 1.00 0.00 C ATOM 218 C ALA A 14 -6.118 -3.919 5.705 1.00 0.00 C ATOM 219 O ALA A 14 -5.998 -4.177 6.905 1.00 0.00 O ATOM 220 CB ALA A 14 -5.171 -1.806 4.773 1.00 0.00 C ATOM 0 H ALA A 14 -6.446 -1.256 6.930 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.135 -2.565 4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.703 -2.393 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.420 -0.816 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.480 -1.708 5.610 1.00 0.00 H new ATOM 226 N VAL A 15 -5.976 -4.829 4.750 1.00 0.00 N ATOM 227 CA VAL A 15 -5.646 -6.218 5.047 1.00 0.00 C ATOM 228 C VAL A 15 -4.363 -6.635 4.329 1.00 0.00 C ATOM 229 O VAL A 15 -3.934 -7.788 4.408 1.00 0.00 O ATOM 230 CB VAL A 15 -6.791 -7.172 4.647 1.00 0.00 C ATOM 231 CG1 VAL A 15 -8.005 -6.960 5.540 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.165 -6.979 3.184 1.00 0.00 C ATOM 0 H VAL A 15 -6.085 -4.628 3.756 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.497 -6.289 6.124 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.442 -8.196 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.800 -7.643 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.732 -7.154 6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.353 -5.932 5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.974 -7.661 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.491 -5.951 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.298 -7.186 2.556 1.00 0.00 H new ATOM 242 N GLY A 16 -3.763 -5.692 3.619 1.00 0.00 N ATOM 243 CA GLY A 16 -2.518 -5.952 2.927 1.00 0.00 C ATOM 244 C GLY A 16 -1.839 -4.666 2.521 1.00 0.00 C ATOM 245 O GLY A 16 -2.477 -3.616 2.497 1.00 0.00 O ATOM 0 H GLY A 16 -4.120 -4.743 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.854 -6.529 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.711 -6.559 2.043 1.00 0.00 H new ATOM 249 N SER A 17 -0.558 -4.732 2.203 1.00 0.00 N ATOM 250 CA SER A 17 0.178 -3.547 1.810 1.00 0.00 C ATOM 251 C SER A 17 1.326 -3.890 0.869 1.00 0.00 C ATOM 252 O SER A 17 1.981 -4.924 1.012 1.00 0.00 O ATOM 253 CB SER A 17 0.711 -2.821 3.050 1.00 0.00 C ATOM 254 OG SER A 17 1.481 -3.691 3.865 1.00 0.00 O ATOM 0 H SER A 17 -0.009 -5.592 2.210 1.00 0.00 H new ATOM 0 HA SER A 17 -0.508 -2.890 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.321 -1.972 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.123 -2.422 3.627 1.00 0.00 H new ATOM 0 HG SER A 17 1.809 -3.201 4.647 1.00 0.00 H new ATOM 260 N LEU A 18 1.538 -3.027 -0.110 1.00 0.00 N ATOM 261 CA LEU A 18 2.676 -3.133 -0.998 1.00 0.00 C ATOM 262 C LEU A 18 3.561 -1.906 -0.851 1.00 0.00 C ATOM 263 O LEU A 18 3.144 -0.790 -1.166 1.00 0.00 O ATOM 264 CB LEU A 18 2.227 -3.271 -2.446 1.00 0.00 C ATOM 265 CG LEU A 18 1.969 -4.703 -2.914 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.385 -4.713 -4.318 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.256 -5.505 -2.885 1.00 0.00 C ATOM 0 H LEU A 18 0.926 -2.236 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 18 3.240 -4.025 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.314 -2.691 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.987 -2.827 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 18 1.249 -5.159 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.209 -5.742 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.442 -4.166 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.084 -4.238 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.058 -6.523 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.989 -5.041 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.648 -5.528 -1.868 1.00 0.00 H new ATOM 279 N THR A 19 4.772 -2.109 -0.373 1.00 0.00 N ATOM 280 CA THR A 19 5.698 -1.012 -0.151 1.00 0.00 C ATOM 281 C THR A 19 6.596 -0.809 -1.366 1.00 0.00 C ATOM 282 O THR A 19 7.389 -1.682 -1.710 1.00 0.00 O ATOM 283 CB THR A 19 6.573 -1.266 1.093 1.00 0.00 C ATOM 284 OG1 THR A 19 5.744 -1.523 2.236 1.00 0.00 O ATOM 285 CG2 THR A 19 7.476 -0.073 1.378 1.00 0.00 C ATOM 0 H THR A 19 5.141 -3.028 -0.129 1.00 0.00 H new ATOM 0 HA THR A 19 5.105 -0.112 0.013 1.00 0.00 H new ATOM 0 HB THR A 19 7.198 -2.136 0.893 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.309 -1.685 3.020 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.082 -0.278 2.260 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.128 0.102 0.522 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.865 0.812 1.556 1.00 0.00 H new ATOM 293 N PHE A 20 6.446 0.329 -2.023 1.00 0.00 N ATOM 294 CA PHE A 20 7.298 0.699 -3.146 1.00 0.00 C ATOM 295 C PHE A 20 8.238 1.822 -2.727 1.00 0.00 C ATOM 296 O PHE A 20 7.968 2.545 -1.761 1.00 0.00 O ATOM 297 CB PHE A 20 6.457 1.174 -4.341 1.00 0.00 C ATOM 298 CG PHE A 20 5.743 0.090 -5.096 1.00 0.00 C ATOM 299 CD1 PHE A 20 4.939 -0.828 -4.444 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.863 0.013 -6.472 1.00 0.00 C ATOM 301 CE1 PHE A 20 4.271 -1.804 -5.153 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.200 -0.963 -7.186 1.00 0.00 C ATOM 303 CZ PHE A 20 4.403 -1.871 -6.524 1.00 0.00 C ATOM 0 H PHE A 20 5.733 1.022 -1.796 1.00 0.00 H new ATOM 0 HA PHE A 20 7.869 -0.180 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.718 1.891 -3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.108 1.707 -5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.834 -0.780 -3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.484 0.726 -6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.645 -2.515 -4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.305 -1.015 -8.260 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.881 -2.636 -7.079 1.00 0.00 H new ATOM 313 N ASP A 21 9.338 1.972 -3.445 1.00 0.00 N ATOM 314 CA ASP A 21 10.246 3.079 -3.192 1.00 0.00 C ATOM 315 C ASP A 21 9.869 4.253 -4.086 1.00 0.00 C ATOM 316 O ASP A 21 8.927 4.157 -4.874 1.00 0.00 O ATOM 317 CB ASP A 21 11.711 2.660 -3.410 1.00 0.00 C ATOM 318 CG ASP A 21 12.204 2.861 -4.831 1.00 0.00 C ATOM 319 OD1 ASP A 21 11.621 2.278 -5.762 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.190 3.606 -5.020 1.00 0.00 O ATOM 0 H ASP A 21 9.623 1.349 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 21 10.154 3.383 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.346 3.230 -2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.821 1.609 -3.143 1.00 0.00 H new ATOM 325 N GLU A 22 10.593 5.356 -3.967 1.00 0.00 N ATOM 326 CA GLU A 22 10.298 6.554 -4.738 1.00 0.00 C ATOM 327 C GLU A 22 10.504 6.329 -6.237 1.00 0.00 C ATOM 328 O GLU A 22 9.970 7.068 -7.064 1.00 0.00 O ATOM 329 CB GLU A 22 11.161 7.718 -4.258 1.00 0.00 C ATOM 330 CG GLU A 22 12.635 7.379 -4.126 1.00 0.00 C ATOM 331 CD GLU A 22 13.000 6.887 -2.740 1.00 0.00 C ATOM 332 OE1 GLU A 22 12.825 5.686 -2.463 1.00 0.00 O ATOM 333 OE2 GLU A 22 13.469 7.708 -1.922 1.00 0.00 O ATOM 0 H GLU A 22 11.393 5.446 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 22 9.247 6.796 -4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.051 8.550 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.789 8.059 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.895 6.615 -4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.229 8.262 -4.362 1.00 0.00 H new ATOM 340 N ASN A 23 11.277 5.309 -6.585 1.00 0.00 N ATOM 341 CA ASN A 23 11.526 4.973 -7.976 1.00 0.00 C ATOM 342 C ASN A 23 10.569 3.882 -8.442 1.00 0.00 C ATOM 343 O ASN A 23 10.766 3.274 -9.498 1.00 0.00 O ATOM 344 CB ASN A 23 12.972 4.523 -8.160 1.00 0.00 C ATOM 345 CG ASN A 23 13.972 5.601 -7.793 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.341 6.435 -8.624 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.421 5.589 -6.548 1.00 0.00 N ATOM 0 H ASN A 23 11.744 4.697 -5.916 1.00 0.00 H new ATOM 0 HA ASN A 23 11.356 5.863 -8.582 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.154 3.640 -7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.127 4.228 -9.198 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.099 6.288 -6.244 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.089 4.881 -5.893 1.00 0.00 H new ATOM 354 N TYR A 24 9.539 3.641 -7.631 1.00 0.00 N ATOM 355 CA TYR A 24 8.438 2.737 -7.975 1.00 0.00 C ATOM 356 C TYR A 24 8.884 1.275 -8.041 1.00 0.00 C ATOM 357 O TYR A 24 8.327 0.477 -8.797 1.00 0.00 O ATOM 358 CB TYR A 24 7.790 3.164 -9.300 1.00 0.00 C ATOM 359 CG TYR A 24 7.290 4.594 -9.288 1.00 0.00 C ATOM 360 CD1 TYR A 24 6.053 4.914 -8.744 1.00 0.00 C ATOM 361 CD2 TYR A 24 8.063 5.623 -9.810 1.00 0.00 C ATOM 362 CE1 TYR A 24 5.603 6.221 -8.721 1.00 0.00 C ATOM 363 CE2 TYR A 24 7.621 6.929 -9.792 1.00 0.00 C ATOM 364 CZ TYR A 24 6.390 7.223 -9.247 1.00 0.00 C ATOM 365 OH TYR A 24 5.947 8.527 -9.221 1.00 0.00 O ATOM 0 H TYR A 24 9.443 4.070 -6.710 1.00 0.00 H new ATOM 0 HA TYR A 24 7.700 2.809 -7.176 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.515 3.046 -10.106 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.957 2.497 -9.521 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.434 4.131 -8.333 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.028 5.396 -10.238 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.640 6.456 -8.293 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.236 7.716 -10.202 1.00 0.00 H new ATOM 0 HH TYR A 24 6.621 9.110 -9.630 1.00 0.00 H new ATOM 375 N ASN A 25 9.876 0.920 -7.235 1.00 0.00 N ATOM 376 CA ASN A 25 10.304 -0.469 -7.120 1.00 0.00 C ATOM 377 C ASN A 25 9.654 -1.108 -5.903 1.00 0.00 C ATOM 378 O ASN A 25 9.570 -0.487 -4.846 1.00 0.00 O ATOM 379 CB ASN A 25 11.827 -0.575 -6.983 1.00 0.00 C ATOM 380 CG ASN A 25 12.572 0.023 -8.155 1.00 0.00 C ATOM 381 OD1 ASN A 25 12.849 -0.657 -9.145 1.00 0.00 O ATOM 382 ND2 ASN A 25 12.909 1.296 -8.049 1.00 0.00 N ATOM 0 H ASN A 25 10.399 1.573 -6.652 1.00 0.00 H new ATOM 0 HA ASN A 25 9.999 -0.988 -8.029 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.139 -0.073 -6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.104 -1.624 -6.881 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.419 1.753 -8.805 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.659 1.822 -7.211 1.00 0.00 H new ATOM 389 N LEU A 26 9.188 -2.339 -6.054 1.00 0.00 N ATOM 390 CA LEU A 26 8.594 -3.063 -4.946 1.00 0.00 C ATOM 391 C LEU A 26 9.652 -3.433 -3.911 1.00 0.00 C ATOM 392 O LEU A 26 10.626 -4.120 -4.217 1.00 0.00 O ATOM 393 CB LEU A 26 7.887 -4.318 -5.457 1.00 0.00 C ATOM 394 CG LEU A 26 7.286 -5.208 -4.371 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.380 -4.394 -3.465 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.519 -6.360 -4.996 1.00 0.00 C ATOM 0 H LEU A 26 9.211 -2.855 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 26 7.860 -2.416 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.092 -4.017 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.598 -4.907 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 26 8.096 -5.620 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.958 -5.041 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.957 -3.598 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.573 -3.958 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.097 -6.985 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.715 -5.967 -5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.194 -6.956 -5.610 1.00 0.00 H new ATOM 408 N LEU A 27 9.453 -2.962 -2.692 1.00 0.00 N ATOM 409 CA LEU A 27 10.370 -3.235 -1.595 1.00 0.00 C ATOM 410 C LEU A 27 9.824 -4.341 -0.700 1.00 0.00 C ATOM 411 O LEU A 27 10.522 -5.304 -0.388 1.00 0.00 O ATOM 412 CB LEU A 27 10.588 -1.972 -0.757 1.00 0.00 C ATOM 413 CG LEU A 27 11.094 -0.751 -1.524 1.00 0.00 C ATOM 414 CD1 LEU A 27 11.178 0.452 -0.599 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.449 -1.038 -2.153 1.00 0.00 C ATOM 0 H LEU A 27 8.655 -2.382 -2.434 1.00 0.00 H new ATOM 0 HA LEU A 27 11.320 -3.557 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.646 -1.711 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.300 -2.202 0.036 1.00 0.00 H new ATOM 0 HG LEU A 27 10.388 -0.526 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.540 1.316 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.190 0.670 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.865 0.235 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.793 -0.157 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.167 -1.287 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.359 -1.876 -2.844 1.00 0.00 H new ATOM 427 N ASP A 28 8.568 -4.200 -0.294 1.00 0.00 N ATOM 428 CA ASP A 28 7.966 -5.136 0.649 1.00 0.00 C ATOM 429 C ASP A 28 6.548 -5.505 0.244 1.00 0.00 C ATOM 430 O ASP A 28 5.792 -4.668 -0.247 1.00 0.00 O ATOM 431 CB ASP A 28 7.956 -4.539 2.057 1.00 0.00 C ATOM 432 CG ASP A 28 7.223 -5.407 3.064 1.00 0.00 C ATOM 433 OD1 ASP A 28 7.808 -6.407 3.533 1.00 0.00 O ATOM 434 OD2 ASP A 28 6.060 -5.092 3.394 1.00 0.00 O ATOM 0 H ASP A 28 7.948 -3.450 -0.601 1.00 0.00 H new ATOM 0 HA ASP A 28 8.571 -6.043 0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.983 -4.393 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.488 -3.555 2.025 1.00 0.00 H new ATOM 439 N THR A 29 6.205 -6.766 0.442 1.00 0.00 N ATOM 440 CA THR A 29 4.864 -7.253 0.195 1.00 0.00 C ATOM 441 C THR A 29 4.301 -7.876 1.469 1.00 0.00 C ATOM 442 O THR A 29 4.839 -8.862 1.975 1.00 0.00 O ATOM 443 CB THR A 29 4.863 -8.297 -0.935 1.00 0.00 C ATOM 444 OG1 THR A 29 5.543 -7.769 -2.081 1.00 0.00 O ATOM 445 CG2 THR A 29 3.445 -8.681 -1.315 1.00 0.00 C ATOM 0 H THR A 29 6.851 -7.480 0.779 1.00 0.00 H new ATOM 0 HA THR A 29 4.240 -6.412 -0.109 1.00 0.00 H new ATOM 0 HB THR A 29 5.379 -9.189 -0.581 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.825 -8.506 -2.663 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.470 -9.420 -2.116 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.937 -9.103 -0.448 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.907 -7.796 -1.655 1.00 0.00 H new ATOM 453 N SER A 30 3.234 -7.295 2.000 1.00 0.00 N ATOM 454 CA SER A 30 2.668 -7.766 3.252 1.00 0.00 C ATOM 455 C SER A 30 1.152 -7.932 3.159 1.00 0.00 C ATOM 456 O SER A 30 0.489 -7.286 2.345 1.00 0.00 O ATOM 457 CB SER A 30 3.032 -6.804 4.386 1.00 0.00 C ATOM 458 OG SER A 30 4.435 -6.795 4.620 1.00 0.00 O ATOM 0 H SER A 30 2.747 -6.501 1.584 1.00 0.00 H new ATOM 0 HA SER A 30 3.092 -8.747 3.464 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.696 -5.798 4.135 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.510 -7.097 5.297 1.00 0.00 H new ATOM 0 HG SER A 30 4.879 -6.265 3.925 1.00 0.00 H new ATOM 464 N GLY A 31 0.617 -8.818 3.990 1.00 0.00 N ATOM 465 CA GLY A 31 -0.815 -9.031 4.040 1.00 0.00 C ATOM 466 C GLY A 31 -1.331 -9.796 2.838 1.00 0.00 C ATOM 467 O GLY A 31 -0.625 -10.634 2.276 1.00 0.00 O ATOM 0 H GLY A 31 1.155 -9.397 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.066 -9.577 4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.321 -8.067 4.097 1.00 0.00 H new ATOM 471 N VAL A 32 -2.556 -9.493 2.430 1.00 0.00 N ATOM 472 CA VAL A 32 -3.177 -10.161 1.287 1.00 0.00 C ATOM 473 C VAL A 32 -2.458 -9.805 -0.014 1.00 0.00 C ATOM 474 O VAL A 32 -2.590 -10.497 -1.023 1.00 0.00 O ATOM 475 CB VAL A 32 -4.669 -9.788 1.166 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.347 -10.604 0.081 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.380 -9.983 2.494 1.00 0.00 C ATOM 0 H VAL A 32 -3.144 -8.787 2.873 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.094 -11.234 1.457 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.730 -8.735 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.398 -10.322 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.860 -10.413 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.270 -11.664 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.431 -9.714 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.301 -11.027 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.919 -9.348 3.250 1.00 0.00 H new ATOM 487 N ALA A 33 -1.662 -8.743 0.027 1.00 0.00 N ATOM 488 CA ALA A 33 -0.925 -8.285 -1.147 1.00 0.00 C ATOM 489 C ALA A 33 0.067 -9.343 -1.627 1.00 0.00 C ATOM 490 O ALA A 33 0.588 -9.258 -2.735 1.00 0.00 O ATOM 491 CB ALA A 33 -0.204 -6.980 -0.837 1.00 0.00 C ATOM 0 H ALA A 33 -1.509 -8.180 0.864 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.641 -8.112 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.342 -6.648 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.932 -6.220 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.495 -7.137 -0.015 1.00 0.00 H new ATOM 497 N LYS A 34 0.324 -10.341 -0.785 1.00 0.00 N ATOM 498 CA LYS A 34 1.239 -11.418 -1.131 1.00 0.00 C ATOM 499 C LYS A 34 0.589 -12.414 -2.089 1.00 0.00 C ATOM 500 O LYS A 34 1.265 -13.008 -2.930 1.00 0.00 O ATOM 501 CB LYS A 34 1.700 -12.144 0.130 1.00 0.00 C ATOM 502 CG LYS A 34 2.429 -11.255 1.124 1.00 0.00 C ATOM 503 CD LYS A 34 2.900 -12.049 2.333 1.00 0.00 C ATOM 504 CE LYS A 34 1.731 -12.665 3.081 1.00 0.00 C ATOM 505 NZ LYS A 34 2.181 -13.559 4.181 1.00 0.00 N ATOM 0 H LYS A 34 -0.091 -10.423 0.143 1.00 0.00 H new ATOM 0 HA LYS A 34 2.100 -10.974 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.832 -12.585 0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.356 -12.966 -0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.285 -10.787 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.768 -10.451 1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.582 -12.835 2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.460 -11.396 3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.105 -11.872 3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.113 -13.231 2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.352 -13.958 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.757 -14.331 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.750 -13.014 4.860 1.00 0.00 H new ATOM 519 N VAL A 35 -0.720 -12.601 -1.957 1.00 0.00 N ATOM 520 CA VAL A 35 -1.439 -13.539 -2.810 1.00 0.00 C ATOM 521 C VAL A 35 -2.080 -12.811 -3.987 1.00 0.00 C ATOM 522 O VAL A 35 -2.388 -13.415 -5.015 1.00 0.00 O ATOM 523 CB VAL A 35 -2.513 -14.337 -2.032 1.00 0.00 C ATOM 524 CG1 VAL A 35 -1.877 -15.122 -0.894 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.609 -13.424 -1.504 1.00 0.00 C ATOM 0 H VAL A 35 -1.301 -12.118 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.706 -14.254 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.972 -15.041 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.648 -15.676 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.143 -15.819 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.383 -14.433 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.347 -14.016 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.174 -12.684 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.093 -12.916 -2.338 1.00 0.00 H new ATOM 535 N ILE A 36 -2.284 -11.512 -3.822 1.00 0.00 N ATOM 536 CA ILE A 36 -2.745 -10.663 -4.907 1.00 0.00 C ATOM 537 C ILE A 36 -1.607 -10.453 -5.902 1.00 0.00 C ATOM 538 O ILE A 36 -0.439 -10.404 -5.509 1.00 0.00 O ATOM 539 CB ILE A 36 -3.243 -9.302 -4.358 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.537 -9.494 -3.567 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.454 -8.290 -5.476 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.949 -8.271 -2.779 1.00 0.00 C ATOM 0 H ILE A 36 -2.136 -11.022 -2.940 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.580 -11.149 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.473 -8.908 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.339 -9.760 -4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.414 -10.333 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.803 -7.348 -5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.513 -8.126 -6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.197 -8.671 -6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.875 -8.479 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.165 -8.017 -2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.104 -7.435 -3.460 1.00 0.00 H new ATOM 554 N GLU A 37 -1.936 -10.377 -7.184 1.00 0.00 N ATOM 555 CA GLU A 37 -0.929 -10.148 -8.210 1.00 0.00 C ATOM 556 C GLU A 37 -0.293 -8.776 -8.015 1.00 0.00 C ATOM 557 O GLU A 37 -0.929 -7.851 -7.511 1.00 0.00 O ATOM 558 CB GLU A 37 -1.540 -10.261 -9.607 1.00 0.00 C ATOM 559 CG GLU A 37 -2.592 -9.206 -9.904 1.00 0.00 C ATOM 560 CD GLU A 37 -3.198 -9.367 -11.278 1.00 0.00 C ATOM 561 OE1 GLU A 37 -2.579 -8.920 -12.262 1.00 0.00 O ATOM 562 OE2 GLU A 37 -4.299 -9.941 -11.378 1.00 0.00 O ATOM 0 H GLU A 37 -2.888 -10.470 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.158 -10.913 -8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.744 -10.186 -10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.988 -11.249 -9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.380 -9.262 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.143 -8.216 -9.822 1.00 0.00 H new ATOM 569 N LYS A 38 0.961 -8.646 -8.412 1.00 0.00 N ATOM 570 CA LYS A 38 1.697 -7.415 -8.185 1.00 0.00 C ATOM 571 C LYS A 38 1.241 -6.334 -9.150 1.00 0.00 C ATOM 572 O LYS A 38 1.133 -5.174 -8.761 1.00 0.00 O ATOM 573 CB LYS A 38 3.208 -7.660 -8.276 1.00 0.00 C ATOM 574 CG LYS A 38 3.830 -8.112 -6.955 1.00 0.00 C ATOM 575 CD LYS A 38 3.022 -9.222 -6.294 1.00 0.00 C ATOM 576 CE LYS A 38 3.529 -9.548 -4.897 1.00 0.00 C ATOM 577 NZ LYS A 38 4.797 -10.323 -4.921 1.00 0.00 N ATOM 0 H LYS A 38 1.489 -9.375 -8.891 1.00 0.00 H new ATOM 0 HA LYS A 38 1.485 -7.064 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.401 -8.416 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.698 -6.744 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.847 -8.461 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.900 -7.261 -6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.975 -8.923 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.065 -10.118 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.683 -8.621 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.769 -10.117 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.102 -10.520 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.646 -11.220 -5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.532 -9.771 -5.408 1.00 0.00 H new ATOM 591 N SER A 39 0.970 -6.725 -10.400 1.00 0.00 N ATOM 592 CA SER A 39 0.334 -5.841 -11.382 1.00 0.00 C ATOM 593 C SER A 39 1.238 -4.640 -11.735 1.00 0.00 C ATOM 594 O SER A 39 2.184 -4.325 -11.011 1.00 0.00 O ATOM 595 CB SER A 39 -1.019 -5.369 -10.810 1.00 0.00 C ATOM 596 OG SER A 39 -1.854 -4.796 -11.801 1.00 0.00 O ATOM 0 H SER A 39 1.184 -7.656 -10.757 1.00 0.00 H new ATOM 0 HA SER A 39 0.171 -6.390 -12.309 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.531 -6.215 -10.352 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.842 -4.638 -10.021 1.00 0.00 H new ATOM 0 HG SER A 39 -2.699 -4.514 -11.393 1.00 0.00 H new ATOM 602 N PRO A 40 1.001 -3.973 -12.882 1.00 0.00 N ATOM 603 CA PRO A 40 1.696 -2.728 -13.238 1.00 0.00 C ATOM 604 C PRO A 40 1.212 -1.538 -12.403 1.00 0.00 C ATOM 605 O PRO A 40 0.991 -0.443 -12.927 1.00 0.00 O ATOM 606 CB PRO A 40 1.341 -2.513 -14.718 1.00 0.00 C ATOM 607 CG PRO A 40 0.689 -3.777 -15.169 1.00 0.00 C ATOM 608 CD PRO A 40 0.077 -4.388 -13.945 1.00 0.00 C ATOM 0 HA PRO A 40 2.768 -2.801 -13.053 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.670 -1.662 -14.839 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.233 -2.302 -15.307 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.070 -3.576 -15.925 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.417 -4.452 -15.619 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.934 -4.019 -13.770 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.011 -5.473 -14.024 1.00 0.00 H new ATOM 616 N ILE A 41 1.087 -1.754 -11.096 1.00 0.00 N ATOM 617 CA ILE A 41 0.562 -0.747 -10.181 1.00 0.00 C ATOM 618 C ILE A 41 1.428 0.511 -10.174 1.00 0.00 C ATOM 619 O ILE A 41 0.927 1.609 -9.937 1.00 0.00 O ATOM 620 CB ILE A 41 0.448 -1.299 -8.740 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.480 -2.513 -8.713 1.00 0.00 C ATOM 622 CG2 ILE A 41 -0.062 -0.229 -7.782 1.00 0.00 C ATOM 623 CD1 ILE A 41 -0.678 -3.100 -7.330 1.00 0.00 C ATOM 0 H ILE A 41 1.346 -2.630 -10.643 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.433 -0.486 -10.541 1.00 0.00 H new ATOM 0 HB ILE A 41 1.443 -1.602 -8.413 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.450 -2.226 -9.118 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.075 -3.283 -9.370 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.132 -0.644 -6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.628 0.615 -7.778 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.047 0.109 -8.105 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.348 -3.957 -7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.284 -3.419 -6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.112 -2.346 -6.674 1.00 0.00 H new ATOM 635 N ALA A 42 2.715 0.352 -10.470 1.00 0.00 N ATOM 636 CA ALA A 42 3.646 1.481 -10.486 1.00 0.00 C ATOM 637 C ALA A 42 3.147 2.588 -11.412 1.00 0.00 C ATOM 638 O ALA A 42 3.321 3.776 -11.130 1.00 0.00 O ATOM 639 CB ALA A 42 5.033 1.020 -10.911 1.00 0.00 C ATOM 0 H ALA A 42 3.139 -0.546 -10.702 1.00 0.00 H new ATOM 0 HA ALA A 42 3.706 1.885 -9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.713 1.872 -10.918 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.398 0.270 -10.210 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.982 0.588 -11.911 1.00 0.00 H new ATOM 645 N GLU A 43 2.499 2.184 -12.498 1.00 0.00 N ATOM 646 CA GLU A 43 1.949 3.123 -13.465 1.00 0.00 C ATOM 647 C GLU A 43 0.802 3.915 -12.842 1.00 0.00 C ATOM 648 O GLU A 43 0.638 5.105 -13.092 1.00 0.00 O ATOM 649 CB GLU A 43 1.461 2.369 -14.705 1.00 0.00 C ATOM 650 CG GLU A 43 1.005 3.269 -15.844 1.00 0.00 C ATOM 651 CD GLU A 43 2.108 4.175 -16.353 1.00 0.00 C ATOM 652 OE1 GLU A 43 3.113 3.656 -16.883 1.00 0.00 O ATOM 653 OE2 GLU A 43 1.979 5.407 -16.221 1.00 0.00 O ATOM 0 H GLU A 43 2.341 1.204 -12.731 1.00 0.00 H new ATOM 0 HA GLU A 43 2.731 3.822 -13.761 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.264 1.726 -15.065 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.635 1.718 -14.419 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.640 2.652 -16.665 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.167 3.879 -15.506 1.00 0.00 H new ATOM 660 N ILE A 44 0.021 3.259 -12.007 1.00 0.00 N ATOM 661 CA ILE A 44 -1.109 3.909 -11.371 1.00 0.00 C ATOM 662 C ILE A 44 -0.637 4.703 -10.151 1.00 0.00 C ATOM 663 O ILE A 44 -1.246 5.705 -9.769 1.00 0.00 O ATOM 664 CB ILE A 44 -2.194 2.891 -10.957 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.420 1.853 -12.068 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.498 3.613 -10.647 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.902 2.445 -13.376 1.00 0.00 C ATOM 0 H ILE A 44 0.147 2.279 -11.753 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.554 4.590 -12.096 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.852 2.370 -10.063 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.488 1.317 -12.245 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.149 1.119 -11.723 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.256 2.886 -10.356 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.339 4.317 -9.831 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.834 4.153 -11.532 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.037 1.649 -14.108 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.851 2.956 -13.216 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.165 3.157 -13.747 1.00 0.00 H new ATOM 679 N ILE A 45 0.463 4.259 -9.546 1.00 0.00 N ATOM 680 CA ILE A 45 1.051 4.960 -8.408 1.00 0.00 C ATOM 681 C ILE A 45 1.527 6.345 -8.825 1.00 0.00 C ATOM 682 O ILE A 45 1.286 7.327 -8.122 1.00 0.00 O ATOM 683 CB ILE A 45 2.237 4.187 -7.785 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.777 2.833 -7.238 1.00 0.00 C ATOM 685 CG2 ILE A 45 2.880 5.007 -6.675 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.891 2.018 -6.617 1.00 0.00 C ATOM 0 H ILE A 45 0.965 3.416 -9.826 1.00 0.00 H new ATOM 0 HA ILE A 45 0.267 5.041 -7.655 1.00 0.00 H new ATOM 0 HB ILE A 45 2.975 4.011 -8.567 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.000 2.998 -6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.326 2.258 -8.047 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.713 4.449 -6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.246 5.949 -7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.142 5.210 -5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.490 1.073 -6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.659 1.822 -7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.328 2.572 -5.786 1.00 0.00 H new ATOM 698 N ARG A 46 2.199 6.425 -9.970 1.00 0.00 N ATOM 699 CA ARG A 46 2.668 7.702 -10.484 1.00 0.00 C ATOM 700 C ARG A 46 1.489 8.588 -10.874 1.00 0.00 C ATOM 701 O ARG A 46 1.489 9.789 -10.605 1.00 0.00 O ATOM 702 CB ARG A 46 3.607 7.499 -11.676 1.00 0.00 C ATOM 703 CG ARG A 46 3.017 6.683 -12.807 1.00 0.00 C ATOM 704 CD ARG A 46 4.023 6.428 -13.915 1.00 0.00 C ATOM 705 NE ARG A 46 4.565 7.666 -14.471 1.00 0.00 N ATOM 706 CZ ARG A 46 4.610 7.941 -15.774 1.00 0.00 C ATOM 707 NH1 ARG A 46 4.001 7.152 -16.651 1.00 0.00 N ATOM 708 NH2 ARG A 46 5.231 9.033 -16.198 1.00 0.00 N ATOM 0 H ARG A 46 2.429 5.622 -10.556 1.00 0.00 H new ATOM 0 HA ARG A 46 3.228 8.201 -9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.899 8.475 -12.063 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.516 7.009 -11.327 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.659 5.730 -12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.152 7.205 -13.217 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.840 5.819 -13.527 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.546 5.854 -14.710 1.00 0.00 H new ATOM 0 HE ARG A 46 4.931 8.362 -13.822 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.494 6.328 -16.329 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.041 7.370 -17.647 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.673 9.661 -15.527 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.266 9.245 -17.195 1.00 0.00 H new ATOM 722 N LYS A 47 0.475 7.983 -11.483 1.00 0.00 N ATOM 723 CA LYS A 47 -0.730 8.716 -11.856 1.00 0.00 C ATOM 724 C LYS A 47 -1.398 9.306 -10.623 1.00 0.00 C ATOM 725 O LYS A 47 -1.698 10.498 -10.581 1.00 0.00 O ATOM 726 CB LYS A 47 -1.719 7.812 -12.593 1.00 0.00 C ATOM 727 CG LYS A 47 -1.212 7.316 -13.932 1.00 0.00 C ATOM 728 CD LYS A 47 -2.289 6.559 -14.687 1.00 0.00 C ATOM 729 CE LYS A 47 -1.760 6.011 -15.999 1.00 0.00 C ATOM 730 NZ LYS A 47 -2.850 5.516 -16.879 1.00 0.00 N ATOM 0 H LYS A 47 0.463 6.993 -11.728 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.433 9.524 -12.525 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.952 6.954 -11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.650 8.357 -12.747 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.873 8.162 -14.530 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.349 6.668 -13.778 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.660 5.740 -14.071 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.134 7.220 -14.881 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.202 6.790 -16.518 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.061 5.199 -15.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.443 5.151 -17.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.368 4.754 -16.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.503 6.296 -17.094 1.00 0.00 H new ATOM 744 N SER A 48 -1.599 8.470 -9.610 1.00 0.00 N ATOM 745 CA SER A 48 -2.246 8.897 -8.384 1.00 0.00 C ATOM 746 C SER A 48 -1.361 9.871 -7.616 1.00 0.00 C ATOM 747 O SER A 48 -1.849 10.693 -6.851 1.00 0.00 O ATOM 748 CB SER A 48 -2.580 7.688 -7.513 1.00 0.00 C ATOM 749 OG SER A 48 -1.420 6.922 -7.232 1.00 0.00 O ATOM 0 H SER A 48 -1.320 7.489 -9.619 1.00 0.00 H new ATOM 0 HA SER A 48 -3.172 9.409 -8.647 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.033 8.023 -6.580 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.317 7.064 -8.019 1.00 0.00 H new ATOM 0 HG SER A 48 -1.185 6.384 -8.017 1.00 0.00 H new ATOM 755 N ASN A 49 -0.055 9.770 -7.820 1.00 0.00 N ATOM 756 CA ASN A 49 0.888 10.676 -7.176 1.00 0.00 C ATOM 757 C ASN A 49 0.675 12.103 -7.667 1.00 0.00 C ATOM 758 O ASN A 49 0.835 13.060 -6.915 1.00 0.00 O ATOM 759 CB ASN A 49 2.328 10.233 -7.446 1.00 0.00 C ATOM 760 CG ASN A 49 3.358 11.233 -6.950 1.00 0.00 C ATOM 761 OD1 ASN A 49 3.693 11.264 -5.767 1.00 0.00 O ATOM 762 ND2 ASN A 49 3.892 12.037 -7.856 1.00 0.00 N ATOM 0 H ASN A 49 0.376 9.071 -8.425 1.00 0.00 H new ATOM 0 HA ASN A 49 0.712 10.647 -6.101 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.503 9.271 -6.965 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.462 10.083 -8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.607 12.711 -7.582 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.589 11.982 -8.828 1.00 0.00 H new ATOM 769 N ALA A 50 0.311 12.233 -8.932 1.00 0.00 N ATOM 770 CA ALA A 50 -0.003 13.535 -9.503 1.00 0.00 C ATOM 771 C ALA A 50 -1.420 13.963 -9.129 1.00 0.00 C ATOM 772 O ALA A 50 -1.723 15.154 -9.052 1.00 0.00 O ATOM 773 CB ALA A 50 0.167 13.503 -11.014 1.00 0.00 C ATOM 0 H ALA A 50 0.225 11.454 -9.584 1.00 0.00 H new ATOM 0 HA ALA A 50 0.691 14.268 -9.091 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.071 14.483 -11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.198 13.246 -11.259 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.504 12.757 -11.440 1.00 0.00 H new ATOM 779 N GLU A 51 -2.281 12.977 -8.887 1.00 0.00 N ATOM 780 CA GLU A 51 -3.675 13.233 -8.535 1.00 0.00 C ATOM 781 C GLU A 51 -3.806 13.739 -7.099 1.00 0.00 C ATOM 782 O GLU A 51 -4.570 14.664 -6.824 1.00 0.00 O ATOM 783 CB GLU A 51 -4.511 11.959 -8.691 1.00 0.00 C ATOM 784 CG GLU A 51 -4.602 11.443 -10.116 1.00 0.00 C ATOM 785 CD GLU A 51 -5.296 12.415 -11.042 1.00 0.00 C ATOM 786 OE1 GLU A 51 -6.539 12.482 -11.015 1.00 0.00 O ATOM 787 OE2 GLU A 51 -4.601 13.124 -11.798 1.00 0.00 O ATOM 0 H GLU A 51 -2.035 11.988 -8.929 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.043 14.002 -9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.084 11.179 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.518 12.152 -8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.598 11.243 -10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.139 10.495 -10.122 1.00 0.00 H new ATOM 794 N LEU A 52 -3.056 13.130 -6.193 1.00 0.00 N ATOM 795 CA LEU A 52 -3.206 13.403 -4.771 1.00 0.00 C ATOM 796 C LEU A 52 -1.858 13.509 -4.076 1.00 0.00 C ATOM 797 O LEU A 52 -0.809 13.360 -4.703 1.00 0.00 O ATOM 798 CB LEU A 52 -4.051 12.295 -4.124 1.00 0.00 C ATOM 799 CG LEU A 52 -3.592 10.855 -4.399 1.00 0.00 C ATOM 800 CD1 LEU A 52 -2.298 10.519 -3.676 1.00 0.00 C ATOM 801 CD2 LEU A 52 -4.672 9.881 -3.999 1.00 0.00 C ATOM 0 H LEU A 52 -2.336 12.443 -6.417 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.709 14.363 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.059 12.454 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.079 12.400 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.402 10.773 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.012 9.491 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.510 11.195 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.442 10.629 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.336 8.863 -4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.886 9.991 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.576 10.084 -4.574 1.00 0.00 H new ATOM 813 N GLY A 53 -1.898 13.755 -2.777 1.00 0.00 N ATOM 814 CA GLY A 53 -0.695 13.737 -1.976 1.00 0.00 C ATOM 815 C GLY A 53 -0.891 12.966 -0.684 1.00 0.00 C ATOM 816 O GLY A 53 -0.207 11.978 -0.432 1.00 0.00 O ATOM 0 H GLY A 53 -2.751 13.969 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.116 13.287 -2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.395 14.760 -1.747 1.00 0.00 H new ATOM 820 N ARG A 54 -1.853 13.400 0.119 1.00 0.00 N ATOM 821 CA ARG A 54 -2.067 12.819 1.442 1.00 0.00 C ATOM 822 C ARG A 54 -3.109 11.696 1.407 1.00 0.00 C ATOM 823 O ARG A 54 -3.200 10.889 2.331 1.00 0.00 O ATOM 824 CB ARG A 54 -2.510 13.915 2.417 1.00 0.00 C ATOM 825 CG ARG A 54 -2.625 13.453 3.858 1.00 0.00 C ATOM 826 CD ARG A 54 -1.280 13.019 4.414 1.00 0.00 C ATOM 827 NE ARG A 54 -1.366 12.623 5.818 1.00 0.00 N ATOM 828 CZ ARG A 54 -0.304 12.442 6.604 1.00 0.00 C ATOM 829 NH1 ARG A 54 0.923 12.620 6.124 1.00 0.00 N ATOM 830 NH2 ARG A 54 -0.468 12.079 7.869 1.00 0.00 N ATOM 0 H ARG A 54 -2.499 14.152 -0.121 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.125 12.384 1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.799 14.740 2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.475 14.306 2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.029 14.261 4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.330 12.624 3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.897 12.185 3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.566 13.836 4.312 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.292 12.477 6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.055 12.896 5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.732 12.480 6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.407 11.938 8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.345 11.941 8.469 1.00 0.00 H new ATOM 844 N LEU A 55 -3.889 11.645 0.338 1.00 0.00 N ATOM 845 CA LEU A 55 -4.981 10.683 0.248 1.00 0.00 C ATOM 846 C LEU A 55 -4.534 9.408 -0.461 1.00 0.00 C ATOM 847 O LEU A 55 -3.420 9.332 -0.981 1.00 0.00 O ATOM 848 CB LEU A 55 -6.187 11.285 -0.486 1.00 0.00 C ATOM 849 CG LEU A 55 -6.837 12.519 0.163 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.016 12.316 1.660 1.00 0.00 C ATOM 851 CD2 LEU A 55 -6.033 13.781 -0.119 1.00 0.00 C ATOM 0 H LEU A 55 -3.789 12.253 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.277 10.433 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.873 11.555 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.948 10.511 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.823 12.645 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.477 13.203 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.655 11.451 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.044 12.149 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.519 14.635 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.026 13.668 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.978 13.944 -1.195 1.00 0.00 H new ATOM 863 N GLY A 56 -5.412 8.413 -0.474 1.00 0.00 N ATOM 864 CA GLY A 56 -5.115 7.159 -1.132 1.00 0.00 C ATOM 865 C GLY A 56 -6.081 6.856 -2.257 1.00 0.00 C ATOM 866 O GLY A 56 -7.273 6.650 -2.026 1.00 0.00 O ATOM 0 H GLY A 56 -6.332 8.455 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.100 7.190 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.148 6.351 -0.401 1.00 0.00 H new ATOM 870 N TYR A 57 -5.561 6.822 -3.474 1.00 0.00 N ATOM 871 CA TYR A 57 -6.379 6.593 -4.659 1.00 0.00 C ATOM 872 C TYR A 57 -6.463 5.105 -4.961 1.00 0.00 C ATOM 873 O TYR A 57 -5.469 4.389 -4.842 1.00 0.00 O ATOM 874 CB TYR A 57 -5.778 7.334 -5.858 1.00 0.00 C ATOM 875 CG TYR A 57 -6.630 7.300 -7.104 1.00 0.00 C ATOM 876 CD1 TYR A 57 -7.784 8.066 -7.193 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.278 6.510 -8.191 1.00 0.00 C ATOM 878 CE1 TYR A 57 -8.564 8.043 -8.331 1.00 0.00 C ATOM 879 CE2 TYR A 57 -7.055 6.484 -9.334 1.00 0.00 C ATOM 880 CZ TYR A 57 -8.197 7.252 -9.397 1.00 0.00 C ATOM 881 OH TYR A 57 -8.977 7.233 -10.530 1.00 0.00 O ATOM 0 H TYR A 57 -4.568 6.951 -3.670 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.384 6.971 -4.471 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.606 8.373 -5.578 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.804 6.901 -6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.075 8.689 -6.360 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.383 5.907 -8.142 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -9.460 8.644 -8.386 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.769 5.866 -10.172 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.581 6.626 -11.190 1.00 0.00 H new ATOM 891 N SER A 58 -7.646 4.641 -5.334 1.00 0.00 N ATOM 892 CA SER A 58 -7.834 3.244 -5.691 1.00 0.00 C ATOM 893 C SER A 58 -7.065 2.922 -6.969 1.00 0.00 C ATOM 894 O SER A 58 -7.434 3.362 -8.057 1.00 0.00 O ATOM 895 CB SER A 58 -9.322 2.959 -5.880 1.00 0.00 C ATOM 896 OG SER A 58 -10.074 3.465 -4.787 1.00 0.00 O ATOM 0 H SER A 58 -8.489 5.211 -5.397 1.00 0.00 H new ATOM 0 HA SER A 58 -7.451 2.613 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.669 3.414 -6.808 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.483 1.885 -5.972 1.00 0.00 H new ATOM 0 HG SER A 58 -11.025 3.274 -4.928 1.00 0.00 H new ATOM 902 N VAL A 59 -5.995 2.154 -6.828 1.00 0.00 N ATOM 903 CA VAL A 59 -5.132 1.835 -7.955 1.00 0.00 C ATOM 904 C VAL A 59 -5.413 0.439 -8.488 1.00 0.00 C ATOM 905 O VAL A 59 -5.334 0.194 -9.690 1.00 0.00 O ATOM 906 CB VAL A 59 -3.640 1.956 -7.581 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.315 3.383 -7.182 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.271 0.996 -6.460 1.00 0.00 C ATOM 0 H VAL A 59 -5.703 1.740 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.354 2.562 -8.736 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.050 1.688 -8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.259 3.456 -6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.529 4.052 -8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.922 3.668 -6.323 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.213 1.106 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.869 1.221 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.466 -0.028 -6.779 1.00 0.00 H new ATOM 918 N TYR A 60 -5.766 -0.473 -7.597 1.00 0.00 N ATOM 919 CA TYR A 60 -6.047 -1.840 -7.990 1.00 0.00 C ATOM 920 C TYR A 60 -7.368 -2.295 -7.393 1.00 0.00 C ATOM 921 O TYR A 60 -7.439 -2.629 -6.214 1.00 0.00 O ATOM 922 CB TYR A 60 -4.910 -2.766 -7.543 1.00 0.00 C ATOM 923 CG TYR A 60 -5.101 -4.212 -7.947 1.00 0.00 C ATOM 924 CD1 TYR A 60 -4.735 -4.651 -9.212 1.00 0.00 C ATOM 925 CD2 TYR A 60 -5.645 -5.136 -7.064 1.00 0.00 C ATOM 926 CE1 TYR A 60 -4.909 -5.969 -9.589 1.00 0.00 C ATOM 927 CE2 TYR A 60 -5.821 -6.457 -7.432 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.451 -6.869 -8.696 1.00 0.00 C ATOM 929 OH TYR A 60 -5.627 -8.184 -9.069 1.00 0.00 O ATOM 0 H TYR A 60 -5.864 -0.290 -6.598 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.122 -1.885 -9.076 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.972 -2.403 -7.963 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.816 -2.712 -6.458 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.307 -3.950 -9.914 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.935 -4.817 -6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.622 -6.293 -10.579 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.246 -7.163 -6.734 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.319 -8.307 -9.991 1.00 0.00 H new ATOM 939 N GLU A 61 -8.415 -2.271 -8.195 1.00 0.00 N ATOM 940 CA GLU A 61 -9.717 -2.727 -7.743 1.00 0.00 C ATOM 941 C GLU A 61 -10.018 -4.114 -8.294 1.00 0.00 C ATOM 942 O GLU A 61 -10.063 -4.318 -9.508 1.00 0.00 O ATOM 943 CB GLU A 61 -10.810 -1.737 -8.154 1.00 0.00 C ATOM 944 CG GLU A 61 -12.206 -2.149 -7.710 1.00 0.00 C ATOM 945 CD GLU A 61 -13.267 -1.138 -8.088 1.00 0.00 C ATOM 946 OE1 GLU A 61 -13.703 -1.137 -9.256 1.00 0.00 O ATOM 947 OE2 GLU A 61 -13.683 -0.346 -7.214 1.00 0.00 O ATOM 0 H GLU A 61 -8.391 -1.942 -9.160 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.700 -2.785 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.578 -0.758 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.800 -1.628 -9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.454 -3.112 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.212 -2.287 -6.629 1.00 0.00 H new ATOM 954 N ASP A 62 -10.189 -5.060 -7.393 1.00 0.00 N ATOM 955 CA ASP A 62 -10.590 -6.408 -7.748 1.00 0.00 C ATOM 956 C ASP A 62 -11.905 -6.703 -7.045 1.00 0.00 C ATOM 957 O ASP A 62 -12.315 -5.939 -6.172 1.00 0.00 O ATOM 958 CB ASP A 62 -9.509 -7.419 -7.330 1.00 0.00 C ATOM 959 CG ASP A 62 -9.830 -8.843 -7.754 1.00 0.00 C ATOM 960 OD1 ASP A 62 -9.569 -9.194 -8.921 1.00 0.00 O ATOM 961 OD2 ASP A 62 -10.353 -9.617 -6.924 1.00 0.00 O ATOM 0 H ASP A 62 -10.054 -4.917 -6.392 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.716 -6.494 -8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.555 -7.123 -7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.389 -7.387 -6.247 1.00 0.00 H new ATOM 966 N ALA A 63 -12.569 -7.785 -7.415 1.00 0.00 N ATOM 967 CA ALA A 63 -13.834 -8.143 -6.792 1.00 0.00 C ATOM 968 C ALA A 63 -13.631 -8.533 -5.330 1.00 0.00 C ATOM 969 O ALA A 63 -14.572 -8.508 -4.535 1.00 0.00 O ATOM 970 CB ALA A 63 -14.502 -9.269 -7.563 1.00 0.00 C ATOM 0 H ALA A 63 -12.255 -8.429 -8.141 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.488 -7.271 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.447 -9.526 -7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.689 -8.948 -8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.850 -10.142 -7.570 1.00 0.00 H new ATOM 976 N GLN A 64 -12.400 -8.879 -4.979 1.00 0.00 N ATOM 977 CA GLN A 64 -12.073 -9.243 -3.608 1.00 0.00 C ATOM 978 C GLN A 64 -11.624 -8.020 -2.808 1.00 0.00 C ATOM 979 O GLN A 64 -12.244 -7.652 -1.809 1.00 0.00 O ATOM 980 CB GLN A 64 -10.957 -10.284 -3.589 1.00 0.00 C ATOM 981 CG GLN A 64 -11.226 -11.489 -4.464 1.00 0.00 C ATOM 982 CD GLN A 64 -9.987 -12.330 -4.678 1.00 0.00 C ATOM 983 OE1 GLN A 64 -9.735 -13.288 -3.946 1.00 0.00 O ATOM 984 NE2 GLN A 64 -9.183 -11.949 -5.657 1.00 0.00 N ATOM 0 H GLN A 64 -11.612 -8.915 -5.625 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.972 -9.657 -3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.029 -9.813 -3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.804 -10.619 -2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.004 -12.101 -4.007 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.608 -11.157 -5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.432 -11.149 -6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.314 -12.455 -5.830 1.00 0.00 H new ATOM 993 N TYR A 65 -10.547 -7.388 -3.263 1.00 0.00 N ATOM 994 CA TYR A 65 -9.909 -6.316 -2.508 1.00 0.00 C ATOM 995 C TYR A 65 -9.625 -5.113 -3.402 1.00 0.00 C ATOM 996 O TYR A 65 -9.657 -5.218 -4.628 1.00 0.00 O ATOM 997 CB TYR A 65 -8.593 -6.809 -1.885 1.00 0.00 C ATOM 998 CG TYR A 65 -8.722 -8.093 -1.094 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.150 -8.085 0.227 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.419 -9.316 -1.675 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.272 -9.259 0.946 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.539 -10.495 -0.964 1.00 0.00 C ATOM 1003 CZ TYR A 65 -8.965 -10.461 0.344 1.00 0.00 C ATOM 1004 OH TYR A 65 -9.083 -11.636 1.055 1.00 0.00 O ATOM 0 H TYR A 65 -10.097 -7.601 -4.153 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.594 -6.013 -1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.861 -6.957 -2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.200 -6.031 -1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.392 -7.145 0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.083 -9.347 -2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.606 -9.235 1.973 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.300 -11.438 -1.433 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.829 -12.391 0.484 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.349 -3.976 -2.781 1.00 0.00 N ATOM 1015 CA ILE A 66 -9.018 -2.758 -3.503 1.00 0.00 C ATOM 1016 C ILE A 66 -7.775 -2.113 -2.907 1.00 0.00 C ATOM 1017 O ILE A 66 -7.725 -1.828 -1.707 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.173 -1.734 -3.468 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.434 -2.323 -4.099 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.768 -0.453 -4.187 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.635 -1.402 -4.031 1.00 0.00 C ATOM 0 H ILE A 66 -9.348 -3.872 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.837 -3.042 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.389 -1.495 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.230 -2.563 -5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.677 -3.260 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.593 0.259 -4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.896 -0.021 -3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.526 -0.680 -5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.492 -1.887 -4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.866 -1.182 -2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.412 -0.474 -4.557 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.782 -1.890 -3.748 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.555 -1.256 -3.311 1.00 0.00 C ATOM 1035 C GLY A 67 -5.592 0.245 -3.509 1.00 0.00 C ATOM 1036 O GLY A 67 -6.137 0.730 -4.500 1.00 0.00 O ATOM 0 H GLY A 67 -6.802 -2.139 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.387 -1.479 -2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.714 -1.674 -3.864 1.00 0.00 H new ATOM 1040 N HIS A 68 -5.018 0.980 -2.571 1.00 0.00 N ATOM 1041 CA HIS A 68 -4.994 2.438 -2.637 1.00 0.00 C ATOM 1042 C HIS A 68 -3.554 2.931 -2.531 1.00 0.00 C ATOM 1043 O HIS A 68 -2.828 2.518 -1.630 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.820 3.066 -1.501 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.202 2.505 -1.335 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.293 2.939 -2.060 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.671 1.552 -0.496 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.369 2.281 -1.668 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -9.020 1.433 -0.719 1.00 0.00 N ATOM 0 H HIS A 68 -4.558 0.591 -1.748 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.430 2.737 -3.590 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.278 2.938 -0.564 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.899 4.138 -1.680 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.272 3.656 -2.785 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.090 0.988 0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.367 2.415 -2.059 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.141 3.800 -3.446 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.784 4.338 -3.415 1.00 0.00 C ATOM 1060 C ALA A 69 -1.691 5.541 -2.496 1.00 0.00 C ATOM 1061 O ALA A 69 -2.390 6.537 -2.690 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.316 4.734 -4.806 1.00 0.00 C ATOM 0 H ALA A 69 -3.719 4.145 -4.212 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.138 3.547 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.302 5.131 -4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.328 3.859 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.982 5.496 -5.211 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.795 5.456 -1.529 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.553 6.548 -0.607 1.00 0.00 C ATOM 1070 C PHE A 70 0.858 7.066 -0.765 1.00 0.00 C ATOM 1071 O PHE A 70 1.799 6.289 -0.948 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.773 6.098 0.837 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.214 5.918 1.190 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.867 4.730 0.916 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -2.917 6.945 1.790 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -4.197 4.569 1.234 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.247 6.788 2.114 1.00 0.00 C ATOM 1078 CZ PHE A 70 -4.888 5.600 1.835 1.00 0.00 C ATOM 0 H PHE A 70 -0.218 4.632 -1.362 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.258 7.346 -0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.246 5.158 1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.331 6.833 1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.328 3.920 0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.420 7.879 2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.698 3.638 1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.787 7.595 2.586 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.931 5.477 2.087 1.00 0.00 H new ATOM 1088 N LYS A 71 1.002 8.375 -0.722 1.00 0.00 N ATOM 1089 CA LYS A 71 2.316 8.982 -0.707 1.00 0.00 C ATOM 1090 C LYS A 71 2.853 8.967 0.713 1.00 0.00 C ATOM 1091 O LYS A 71 2.280 9.579 1.615 1.00 0.00 O ATOM 1092 CB LYS A 71 2.286 10.408 -1.254 1.00 0.00 C ATOM 1093 CG LYS A 71 2.475 10.510 -2.763 1.00 0.00 C ATOM 1094 CD LYS A 71 1.222 10.128 -3.547 1.00 0.00 C ATOM 1095 CE LYS A 71 1.178 8.642 -3.876 1.00 0.00 C ATOM 1096 NZ LYS A 71 -0.047 8.279 -4.640 1.00 0.00 N ATOM 0 H LYS A 71 0.227 9.037 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 71 2.973 8.404 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.333 10.866 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.067 10.989 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.761 11.530 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.298 9.862 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.338 10.396 -2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.185 10.704 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.061 8.372 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.214 8.064 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.196 7.589 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.748 7.862 -3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.446 9.132 -5.081 1.00 0.00 H new ATOM 1110 N LYS A 72 3.938 8.249 0.905 1.00 0.00 N ATOM 1111 CA LYS A 72 4.509 8.053 2.226 1.00 0.00 C ATOM 1112 C LYS A 72 5.783 8.863 2.350 1.00 0.00 C ATOM 1113 O LYS A 72 6.145 9.586 1.424 1.00 0.00 O ATOM 1114 CB LYS A 72 4.797 6.568 2.453 1.00 0.00 C ATOM 1115 CG LYS A 72 3.574 5.680 2.291 1.00 0.00 C ATOM 1116 CD LYS A 72 2.561 5.890 3.405 1.00 0.00 C ATOM 1117 CE LYS A 72 3.127 5.472 4.753 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.101 5.512 5.827 1.00 0.00 N ATOM 0 H LYS A 72 4.450 7.785 0.155 1.00 0.00 H new ATOM 0 HA LYS A 72 3.800 8.389 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.566 6.244 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.203 6.434 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.103 5.885 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.885 4.635 2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.269 6.940 3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.660 5.315 3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.533 4.463 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.954 6.130 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.568 5.625 6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.458 6.313 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.557 4.625 5.821 1.00 0.00 H new ATOM 1132 N ALA A 73 6.465 8.740 3.482 1.00 0.00 N ATOM 1133 CA ALA A 73 7.700 9.477 3.711 1.00 0.00 C ATOM 1134 C ALA A 73 8.782 9.044 2.729 1.00 0.00 C ATOM 1135 O ALA A 73 9.498 8.067 2.965 1.00 0.00 O ATOM 1136 CB ALA A 73 8.170 9.294 5.143 1.00 0.00 C ATOM 0 H ALA A 73 6.183 8.137 4.255 1.00 0.00 H new ATOM 0 HA ALA A 73 7.501 10.536 3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.094 9.851 5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.406 9.663 5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.348 8.236 5.335 1.00 0.00 H new ATOM 1142 N GLY A 74 8.872 9.760 1.615 1.00 0.00 N ATOM 1143 CA GLY A 74 9.849 9.449 0.590 1.00 0.00 C ATOM 1144 C GLY A 74 9.582 8.123 -0.098 1.00 0.00 C ATOM 1145 O GLY A 74 10.455 7.582 -0.771 1.00 0.00 O ATOM 0 H GLY A 74 8.277 10.561 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.852 10.245 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.843 9.427 1.037 1.00 0.00 H new ATOM 1149 N HIS A 75 8.372 7.596 0.064 1.00 0.00 N ATOM 1150 CA HIS A 75 8.030 6.286 -0.477 1.00 0.00 C ATOM 1151 C HIS A 75 6.600 6.256 -0.993 1.00 0.00 C ATOM 1152 O HIS A 75 5.833 7.197 -0.793 1.00 0.00 O ATOM 1153 CB HIS A 75 8.200 5.196 0.584 1.00 0.00 C ATOM 1154 CG HIS A 75 9.624 4.840 0.873 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.661 4.593 0.039 1.00 0.00 N flip ATOM 1156 CD2 HIS A 75 10.117 4.676 2.151 1.00 0.00 C flip ATOM 1157 CE1 HIS A 75 11.743 4.289 0.818 1.00 0.00 C flip ATOM 1158 NE2 HIS A 75 11.393 4.346 2.087 1.00 0.00 N flip ATOM 0 H HIS A 75 7.613 8.056 0.566 1.00 0.00 H new ATOM 0 HA HIS A 75 8.711 6.095 -1.307 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.725 5.526 1.508 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.672 4.300 0.257 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.548 4.798 3.061 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.728 4.041 0.451 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.004 4.166 2.884 1.00 0.00 H new ATOM 1167 N PHE A 76 6.251 5.160 -1.645 1.00 0.00 N ATOM 1168 CA PHE A 76 4.907 4.961 -2.154 1.00 0.00 C ATOM 1169 C PHE A 76 4.388 3.609 -1.695 1.00 0.00 C ATOM 1170 O PHE A 76 4.978 2.584 -2.002 1.00 0.00 O ATOM 1171 CB PHE A 76 4.896 5.026 -3.683 1.00 0.00 C ATOM 1172 CG PHE A 76 5.370 6.338 -4.238 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.599 7.482 -4.107 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.584 6.428 -4.898 1.00 0.00 C ATOM 1175 CE1 PHE A 76 5.031 8.686 -4.623 1.00 0.00 C ATOM 1176 CE2 PHE A 76 7.021 7.632 -5.415 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.243 8.763 -5.278 1.00 0.00 C ATOM 0 H PHE A 76 6.889 4.387 -1.835 1.00 0.00 H new ATOM 0 HA PHE A 76 4.264 5.752 -1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.526 4.228 -4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.883 4.837 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.649 7.430 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.197 5.546 -5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.420 9.570 -4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.971 7.688 -5.926 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.581 9.706 -5.682 1.00 0.00 H new ATOM 1187 N ILE A 77 3.301 3.599 -0.951 1.00 0.00 N ATOM 1188 CA ILE A 77 2.775 2.346 -0.435 1.00 0.00 C ATOM 1189 C ILE A 77 1.318 2.168 -0.828 1.00 0.00 C ATOM 1190 O ILE A 77 0.513 3.094 -0.725 1.00 0.00 O ATOM 1191 CB ILE A 77 2.932 2.249 1.100 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.413 2.354 1.482 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.333 0.948 1.627 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.673 2.220 2.967 1.00 0.00 C ATOM 0 H ILE A 77 2.769 4.430 -0.691 1.00 0.00 H new ATOM 0 HA ILE A 77 3.359 1.542 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 77 2.390 3.077 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.970 1.580 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.799 3.314 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.456 0.903 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.272 0.910 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.843 0.101 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.743 2.305 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.145 3.010 3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.319 1.249 3.312 1.00 0.00 H new ATOM 1206 N VAL A 78 0.997 0.977 -1.303 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.355 0.651 -1.714 1.00 0.00 C ATOM 1208 C VAL A 78 -1.022 -0.227 -0.666 1.00 0.00 C ATOM 1209 O VAL A 78 -0.643 -1.382 -0.475 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.374 -0.070 -3.078 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.799 -0.392 -3.503 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.323 0.771 -4.139 1.00 0.00 C ATOM 0 H VAL A 78 1.664 0.213 -1.414 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.905 1.587 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 78 0.168 -1.009 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.785 -0.900 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.263 -1.039 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.371 0.532 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.299 0.245 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.189 1.728 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.359 0.942 -3.845 1.00 0.00 H new ATOM 1222 N TYR A 79 -1.999 0.332 0.024 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.714 -0.390 1.055 1.00 0.00 C ATOM 1224 C TYR A 79 -3.932 -1.089 0.460 1.00 0.00 C ATOM 1225 O TYR A 79 -4.804 -0.446 -0.129 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.141 0.568 2.166 1.00 0.00 C ATOM 1227 CG TYR A 79 -1.982 1.175 2.937 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.226 2.207 2.396 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.651 0.719 4.208 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.173 2.765 3.095 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.599 1.276 4.915 1.00 0.00 C ATOM 1232 CZ TYR A 79 0.136 2.298 4.353 1.00 0.00 C ATOM 1233 OH TYR A 79 1.178 2.867 5.055 1.00 0.00 O ATOM 0 H TYR A 79 -2.316 1.292 -0.114 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.053 -1.145 1.480 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.735 1.372 1.731 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.788 0.035 2.863 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.466 2.580 1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.224 -0.082 4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.406 3.564 2.656 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.355 0.912 5.902 1.00 0.00 H new ATOM 0 HH TYR A 79 1.266 2.425 5.925 1.00 0.00 H new ATOM 1243 N PHE A 80 -3.976 -2.404 0.605 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.056 -3.206 0.064 1.00 0.00 C ATOM 1245 C PHE A 80 -6.138 -3.426 1.105 1.00 0.00 C ATOM 1246 O PHE A 80 -5.898 -4.013 2.158 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.523 -4.549 -0.432 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.739 -4.448 -1.706 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.387 -4.153 -1.682 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.357 -4.645 -2.929 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.666 -4.057 -2.857 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.642 -4.550 -4.106 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.295 -4.255 -4.069 1.00 0.00 C ATOM 0 H PHE A 80 -3.265 -2.942 1.100 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.492 -2.667 -0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.891 -4.988 0.340 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.361 -5.230 -0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.891 -3.996 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.412 -4.876 -2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.611 -3.827 -2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.136 -4.706 -5.054 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.733 -4.179 -4.988 1.00 0.00 H new ATOM 1263 N THR A 81 -7.326 -2.944 0.803 1.00 0.00 N ATOM 1264 CA THR A 81 -8.461 -3.075 1.700 1.00 0.00 C ATOM 1265 C THR A 81 -9.468 -4.071 1.136 1.00 0.00 C ATOM 1266 O THR A 81 -9.531 -4.263 -0.076 1.00 0.00 O ATOM 1267 CB THR A 81 -9.152 -1.713 1.896 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.533 -1.174 0.620 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.230 -0.737 2.608 1.00 0.00 C ATOM 0 H THR A 81 -7.534 -2.452 -0.066 1.00 0.00 H new ATOM 0 HA THR A 81 -8.094 -3.434 2.662 1.00 0.00 H new ATOM 0 HB THR A 81 -10.040 -1.862 2.511 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.271 -0.231 0.572 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.740 0.218 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.961 -1.138 3.585 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.327 -0.590 2.015 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.267 -4.718 1.996 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.319 -5.642 1.553 1.00 0.00 C ATOM 1279 C PRO A 82 -12.523 -4.890 0.988 1.00 0.00 C ATOM 1280 O PRO A 82 -13.636 -5.006 1.502 1.00 0.00 O ATOM 1281 CB PRO A 82 -11.694 -6.383 2.837 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.389 -5.421 3.934 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.212 -4.608 3.466 1.00 0.00 C ATOM 0 HA PRO A 82 -10.990 -6.303 0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.747 -6.664 2.839 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.119 -7.302 2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.247 -4.781 4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.155 -5.947 4.859 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.288 -3.571 3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.274 -4.999 3.861 1.00 0.00 H new