USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 681 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 7 THR OG1 : rot -45:sc= -1.22 USER MOD Single : A 10 SER OG : rot -55:sc= 0.263 USER MOD Single : A 12 THR OG1 : rot -115:sc= 1.09 USER MOD Single : A 15 HIS : no HD1:sc= -0.936 K(o=-0.94,f=-0.0051) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 139:sc= -0.0499 (180deg=-0.686) USER MOD Single : A 37 THR OG1 : rot 90:sc= 0.289 USER MOD Single : A 39 CYS SG : rot -45:sc= -0.33 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -178:sc= -1.34 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.537 K(o=0.54,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -4.72! C(o=-4.7!,f=-3.7!) USER MOD Single : A 79 GLN : amide:sc= -4.77! C(o=-4.8!,f=-8.2!) USER MOD Single : A 80 GLN : amide:sc= -0.702 K(o=-0.7,f=-1.4) USER MOD Single : A 82 TYR OH : rot 90:sc= -0.835 USER MOD Single : A 84 THR OG1 : rot 110:sc= 1.18 USER MOD Single : A 87 GLN : amide:sc= -0.28 K(o=-0.28,f=-6.3!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -8:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 7 -8.106 -0.262 -9.725 1.00 0.00 N ATOM 67 CA THR A 7 -6.684 -0.176 -9.439 1.00 0.00 C ATOM 68 C THR A 7 -6.442 -0.179 -7.929 1.00 0.00 C ATOM 69 O THR A 7 -7.349 0.110 -7.150 1.00 0.00 O ATOM 70 CB THR A 7 -6.136 1.069 -10.140 1.00 0.00 C ATOM 71 OG1 THR A 7 -7.223 1.989 -10.114 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.879 0.837 -11.630 1.00 0.00 C ATOM 0 HA THR A 7 -6.150 -1.045 -9.823 1.00 0.00 H new ATOM 0 HB THR A 7 -5.210 1.379 -9.656 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.047 1.529 -10.379 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.491 1.751 -12.079 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.151 0.035 -11.753 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.812 0.559 -12.121 1.00 0.00 H new ATOM 80 N PRO A 8 -5.180 -0.518 -7.549 1.00 0.00 N ATOM 81 CA PRO A 8 -4.808 -0.563 -6.146 1.00 0.00 C ATOM 82 C PRO A 8 -4.636 0.848 -5.579 1.00 0.00 C ATOM 83 O PRO A 8 -5.025 1.116 -4.443 1.00 0.00 O ATOM 84 CB PRO A 8 -3.526 -1.379 -6.105 1.00 0.00 C ATOM 85 CG PRO A 8 -2.979 -1.367 -7.523 1.00 0.00 C ATOM 86 CD PRO A 8 -4.080 -0.867 -8.443 1.00 0.00 C ATOM 0 HA PRO A 8 -5.576 -1.020 -5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.810 -0.946 -5.406 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.722 -2.398 -5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.104 -0.721 -7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.660 -2.367 -7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.751 -0.004 -9.022 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.378 -1.635 -9.157 1.00 0.00 H new ATOM 94 N LEU A 9 -4.053 1.713 -6.396 1.00 0.00 N ATOM 95 CA LEU A 9 -3.825 3.089 -5.990 1.00 0.00 C ATOM 96 C LEU A 9 -5.165 3.824 -5.918 1.00 0.00 C ATOM 97 O LEU A 9 -5.370 4.665 -5.044 1.00 0.00 O ATOM 98 CB LEU A 9 -2.806 3.758 -6.915 1.00 0.00 C ATOM 99 CG LEU A 9 -2.601 5.261 -6.711 1.00 0.00 C ATOM 100 CD1 LEU A 9 -2.498 5.603 -5.223 1.00 0.00 C ATOM 101 CD2 LEU A 9 -1.388 5.761 -7.499 1.00 0.00 C ATOM 0 H LEU A 9 -3.732 1.487 -7.337 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.388 3.124 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.845 3.259 -6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.116 3.590 -7.946 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.476 5.781 -7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.353 6.677 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.416 5.304 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.652 5.072 -4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.265 6.832 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.494 5.237 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.540 5.570 -8.561 1.00 0.00 H new ATOM 113 N SER A 10 -6.043 3.479 -6.848 1.00 0.00 N ATOM 114 CA SER A 10 -7.358 4.095 -6.901 1.00 0.00 C ATOM 115 C SER A 10 -8.258 3.501 -5.816 1.00 0.00 C ATOM 116 O SER A 10 -8.916 4.234 -5.079 1.00 0.00 O ATOM 117 CB SER A 10 -7.997 3.913 -8.279 1.00 0.00 C ATOM 118 OG SER A 10 -9.108 4.784 -8.472 1.00 0.00 O ATOM 0 H SER A 10 -5.870 2.781 -7.571 1.00 0.00 H new ATOM 0 HA SER A 10 -7.242 5.164 -6.723 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.251 4.100 -9.052 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.323 2.879 -8.394 1.00 0.00 H new ATOM 0 HG SER A 10 -9.753 4.657 -7.745 1.00 0.00 H new ATOM 124 N LEU A 11 -8.260 2.177 -5.753 1.00 0.00 N ATOM 125 CA LEU A 11 -9.068 1.476 -4.770 1.00 0.00 C ATOM 126 C LEU A 11 -8.759 2.025 -3.376 1.00 0.00 C ATOM 127 O LEU A 11 -9.659 2.474 -2.668 1.00 0.00 O ATOM 128 CB LEU A 11 -8.870 -0.036 -4.894 1.00 0.00 C ATOM 129 CG LEU A 11 -9.649 -0.725 -6.016 1.00 0.00 C ATOM 130 CD1 LEU A 11 -10.143 0.294 -7.046 1.00 0.00 C ATOM 131 CD2 LEU A 11 -8.815 -1.833 -6.662 1.00 0.00 C ATOM 0 H LEU A 11 -7.715 1.572 -6.367 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.128 1.651 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.808 -0.232 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.150 -0.498 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.530 -1.197 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.694 -0.222 -7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.798 1.016 -6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.290 0.814 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.392 -2.307 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.904 -1.405 -7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.554 -2.577 -5.910 1.00 0.00 H new ATOM 143 N THR A 12 -7.483 1.970 -3.023 1.00 0.00 N ATOM 144 CA THR A 12 -7.044 2.456 -1.726 1.00 0.00 C ATOM 145 C THR A 12 -7.549 3.881 -1.491 1.00 0.00 C ATOM 146 O THR A 12 -8.042 4.199 -0.410 1.00 0.00 O ATOM 147 CB THR A 12 -5.520 2.335 -1.667 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.070 3.040 -2.821 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.037 0.901 -1.895 1.00 0.00 C ATOM 0 H THR A 12 -6.739 1.596 -3.613 1.00 0.00 H new ATOM 0 HA THR A 12 -7.464 1.858 -0.917 1.00 0.00 H new ATOM 0 HB THR A 12 -5.166 2.688 -0.698 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.634 2.415 -3.437 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.949 0.871 -1.843 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.455 0.250 -1.127 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.363 0.559 -2.877 1.00 0.00 H new ATOM 157 N LEU A 13 -7.410 4.702 -2.522 1.00 0.00 N ATOM 158 CA LEU A 13 -7.847 6.085 -2.442 1.00 0.00 C ATOM 159 C LEU A 13 -9.375 6.130 -2.372 1.00 0.00 C ATOM 160 O LEU A 13 -9.944 6.995 -1.708 1.00 0.00 O ATOM 161 CB LEU A 13 -7.260 6.900 -3.596 1.00 0.00 C ATOM 162 CG LEU A 13 -5.888 7.530 -3.343 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.983 8.653 -2.308 1.00 0.00 C ATOM 164 CD2 LEU A 13 -4.863 6.467 -2.943 1.00 0.00 C ATOM 0 H LEU A 13 -7.001 4.435 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.472 6.550 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.185 6.253 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.962 7.695 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.541 7.979 -4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.995 9.084 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.661 9.426 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.361 8.251 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.897 6.941 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.192 5.969 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.768 5.733 -3.743 1.00 0.00 H new ATOM 176 N ASP A 14 -9.995 5.187 -3.066 1.00 0.00 N ATOM 177 CA ASP A 14 -11.446 5.108 -3.092 1.00 0.00 C ATOM 178 C ASP A 14 -11.940 4.471 -1.791 1.00 0.00 C ATOM 179 O ASP A 14 -13.143 4.421 -1.539 1.00 0.00 O ATOM 180 CB ASP A 14 -11.930 4.243 -4.256 1.00 0.00 C ATOM 181 CG ASP A 14 -12.244 5.008 -5.544 1.00 0.00 C ATOM 182 OD1 ASP A 14 -13.259 5.737 -5.537 1.00 0.00 O ATOM 183 OD2 ASP A 14 -11.462 4.845 -6.505 1.00 0.00 O ATOM 0 H ASP A 14 -9.519 4.471 -3.615 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.837 6.119 -3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.169 3.493 -4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.826 3.707 -3.942 1.00 0.00 H new ATOM 188 N HIS A 15 -10.987 4.001 -1.000 1.00 0.00 N ATOM 189 CA HIS A 15 -11.310 3.369 0.267 1.00 0.00 C ATOM 190 C HIS A 15 -10.379 3.901 1.358 1.00 0.00 C ATOM 191 O HIS A 15 -9.993 3.164 2.264 1.00 0.00 O ATOM 192 CB HIS A 15 -11.266 1.845 0.142 1.00 0.00 C ATOM 193 CG HIS A 15 -12.355 1.269 -0.732 1.00 0.00 C ATOM 194 ND1 HIS A 15 -13.695 1.564 -0.552 1.00 0.00 N ATOM 195 CD2 HIS A 15 -12.288 0.415 -1.793 1.00 0.00 C ATOM 196 CE1 HIS A 15 -14.394 0.911 -1.468 1.00 0.00 C ATOM 197 NE2 HIS A 15 -13.520 0.198 -2.236 1.00 0.00 N ATOM 0 H HIS A 15 -9.990 4.045 -1.212 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.331 3.622 0.553 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.297 1.552 -0.262 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.343 1.407 1.137 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.385 -0.012 -2.203 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -15.467 0.938 -1.586 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.772 -0.403 -3.021 1.00 0.00 H new ATOM 205 N TRP A 16 -10.045 5.178 1.236 1.00 0.00 N ATOM 206 CA TRP A 16 -9.166 5.817 2.200 1.00 0.00 C ATOM 207 C TRP A 16 -9.676 5.478 3.602 1.00 0.00 C ATOM 208 O TRP A 16 -8.885 5.241 4.514 1.00 0.00 O ATOM 209 CB TRP A 16 -9.074 7.323 1.945 1.00 0.00 C ATOM 210 CG TRP A 16 -8.045 8.041 2.820 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.246 9.072 3.652 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.637 7.739 2.915 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.076 9.454 4.275 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.066 8.618 3.813 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.872 6.755 2.265 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.705 8.601 4.142 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.514 6.752 2.605 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.923 7.630 3.506 1.00 0.00 C ATOM 0 H TRP A 16 -10.368 5.787 0.484 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.147 5.443 2.100 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.824 7.489 0.897 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.054 7.770 2.113 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.204 9.544 3.814 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -6.971 10.211 4.951 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.298 6.057 1.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.282 9.300 4.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.881 6.015 2.134 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.865 7.563 3.714 1.00 0.00 H new ATOM 229 N SER A 17 -10.995 5.467 3.730 1.00 0.00 N ATOM 230 CA SER A 17 -11.620 5.162 5.006 1.00 0.00 C ATOM 231 C SER A 17 -11.087 3.832 5.545 1.00 0.00 C ATOM 232 O SER A 17 -10.774 3.719 6.729 1.00 0.00 O ATOM 233 CB SER A 17 -13.143 5.109 4.874 1.00 0.00 C ATOM 234 OG SER A 17 -13.674 6.313 4.328 1.00 0.00 O ATOM 0 H SER A 17 -11.648 5.664 2.971 1.00 0.00 H new ATOM 0 HA SER A 17 -11.371 5.957 5.708 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.423 4.269 4.239 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.586 4.929 5.854 1.00 0.00 H new ATOM 0 HG SER A 17 -14.649 6.239 4.258 1.00 0.00 H new ATOM 240 N GLU A 18 -11.001 2.859 4.649 1.00 0.00 N ATOM 241 CA GLU A 18 -10.512 1.542 5.020 1.00 0.00 C ATOM 242 C GLU A 18 -9.022 1.606 5.361 1.00 0.00 C ATOM 243 O GLU A 18 -8.587 1.049 6.368 1.00 0.00 O ATOM 244 CB GLU A 18 -10.776 0.526 3.907 1.00 0.00 C ATOM 245 CG GLU A 18 -9.994 -0.767 4.148 1.00 0.00 C ATOM 246 CD GLU A 18 -10.592 -1.926 3.349 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.709 -1.735 2.821 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.919 -2.977 3.283 1.00 0.00 O ATOM 0 H GLU A 18 -11.262 2.957 3.668 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.054 1.211 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.842 0.306 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.492 0.953 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.952 -0.624 3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.004 -1.010 5.211 1.00 0.00 H new ATOM 255 N ILE A 19 -8.279 2.291 4.503 1.00 0.00 N ATOM 256 CA ILE A 19 -6.847 2.435 4.701 1.00 0.00 C ATOM 257 C ILE A 19 -6.590 3.145 6.032 1.00 0.00 C ATOM 258 O ILE A 19 -5.628 2.831 6.731 1.00 0.00 O ATOM 259 CB ILE A 19 -6.207 3.131 3.499 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.811 2.625 2.187 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.685 2.980 3.524 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.893 1.097 2.174 1.00 0.00 C ATOM 0 H ILE A 19 -8.643 2.752 3.669 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.371 1.457 4.764 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.426 4.197 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.807 3.047 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.205 2.967 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.255 3.484 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.290 3.426 4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.424 1.922 3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.326 0.764 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.893 0.678 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.519 0.759 3.000 1.00 0.00 H new ATOM 274 N ARG A 20 -7.466 4.090 6.341 1.00 0.00 N ATOM 275 CA ARG A 20 -7.345 4.848 7.575 1.00 0.00 C ATOM 276 C ARG A 20 -7.665 3.958 8.777 1.00 0.00 C ATOM 277 O ARG A 20 -7.131 4.163 9.866 1.00 0.00 O ATOM 278 CB ARG A 20 -8.288 6.053 7.575 1.00 0.00 C ATOM 279 CG ARG A 20 -7.771 7.154 6.648 1.00 0.00 C ATOM 280 CD ARG A 20 -8.286 8.526 7.086 1.00 0.00 C ATOM 281 NE ARG A 20 -9.763 8.506 7.181 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.440 8.307 8.320 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.776 8.109 9.467 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.780 8.305 8.312 1.00 0.00 N ATOM 0 H ARG A 20 -8.262 4.348 5.758 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.318 5.205 7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.282 5.741 7.256 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.386 6.442 8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.681 7.153 6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.089 6.952 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.855 8.794 8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.970 9.287 6.373 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.299 8.653 6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.756 8.110 9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.291 7.957 10.335 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.285 8.455 7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.295 8.153 9.179 1.00 0.00 H new ATOM 298 N SER A 21 -8.536 2.987 8.540 1.00 0.00 N ATOM 299 CA SER A 21 -8.934 2.065 9.590 1.00 0.00 C ATOM 300 C SER A 21 -7.752 1.175 9.980 1.00 0.00 C ATOM 301 O SER A 21 -7.466 1.000 11.164 1.00 0.00 O ATOM 302 CB SER A 21 -10.121 1.208 9.150 1.00 0.00 C ATOM 303 OG SER A 21 -11.201 1.273 10.078 1.00 0.00 O ATOM 0 H SER A 21 -8.977 2.819 7.636 1.00 0.00 H new ATOM 0 HA SER A 21 -9.244 2.648 10.457 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.465 1.540 8.170 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.799 0.172 9.040 1.00 0.00 H new ATOM 0 HG SER A 21 -11.940 0.713 9.760 1.00 0.00 H new ATOM 309 N ARG A 22 -7.096 0.637 8.962 1.00 0.00 N ATOM 310 CA ARG A 22 -5.952 -0.230 9.184 1.00 0.00 C ATOM 311 C ARG A 22 -4.857 0.520 9.945 1.00 0.00 C ATOM 312 O ARG A 22 -4.157 -0.066 10.770 1.00 0.00 O ATOM 313 CB ARG A 22 -5.383 -0.741 7.859 1.00 0.00 C ATOM 314 CG ARG A 22 -6.440 -1.519 7.072 1.00 0.00 C ATOM 315 CD ARG A 22 -5.890 -2.866 6.599 1.00 0.00 C ATOM 316 NE ARG A 22 -6.714 -3.386 5.485 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.807 -4.144 5.648 1.00 0.00 C ATOM 318 NH1 ARG A 22 -8.214 -4.476 6.881 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.493 -4.571 4.579 1.00 0.00 N ATOM 0 H ARG A 22 -7.335 0.785 7.982 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.291 -1.082 9.774 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.027 0.100 7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.523 -1.382 8.052 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.318 -1.680 7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.764 -0.932 6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.856 -2.752 6.275 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.889 -3.578 7.424 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.432 -3.153 4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.692 -4.152 7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.046 -5.053 7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.183 -4.319 3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.325 -5.148 4.704 1.00 0.00 H new ATOM 333 N ALA A 23 -4.743 1.804 9.642 1.00 0.00 N ATOM 334 CA ALA A 23 -3.746 2.640 10.287 1.00 0.00 C ATOM 335 C ALA A 23 -4.150 2.877 11.744 1.00 0.00 C ATOM 336 O ALA A 23 -3.294 2.961 12.623 1.00 0.00 O ATOM 337 CB ALA A 23 -3.591 3.947 9.506 1.00 0.00 C ATOM 0 H ALA A 23 -5.325 2.286 8.957 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.775 2.145 10.290 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.843 4.574 9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.274 3.726 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.545 4.473 9.484 1.00 0.00 H new ATOM 343 N HIS A 24 -5.454 2.977 11.954 1.00 0.00 N ATOM 344 CA HIS A 24 -5.982 3.202 13.289 1.00 0.00 C ATOM 345 C HIS A 24 -5.724 1.969 14.157 1.00 0.00 C ATOM 346 O HIS A 24 -5.267 2.089 15.293 1.00 0.00 O ATOM 347 CB HIS A 24 -7.461 3.588 13.230 1.00 0.00 C ATOM 348 CG HIS A 24 -7.891 4.543 14.318 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.483 4.120 15.496 1.00 0.00 N ATOM 350 CD2 HIS A 24 -7.807 5.902 14.395 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.740 5.186 16.240 1.00 0.00 C ATOM 352 NE2 HIS A 24 -8.321 6.289 15.556 1.00 0.00 N ATOM 0 H HIS A 24 -6.161 2.906 11.222 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.466 4.043 13.752 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.669 4.041 12.261 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.065 2.683 13.296 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -7.393 6.553 13.639 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.201 5.182 17.217 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.391 7.253 15.883 1.00 0.00 H new ATOM 360 N ASN A 25 -6.030 0.811 13.590 1.00 0.00 N ATOM 361 CA ASN A 25 -5.838 -0.443 14.298 1.00 0.00 C ATOM 362 C ASN A 25 -4.342 -0.675 14.518 1.00 0.00 C ATOM 363 O ASN A 25 -3.944 -1.301 15.500 1.00 0.00 O ATOM 364 CB ASN A 25 -6.386 -1.621 13.491 1.00 0.00 C ATOM 365 CG ASN A 25 -7.076 -2.637 14.403 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.630 -2.928 15.501 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.185 -3.161 13.888 1.00 0.00 N ATOM 0 H ASN A 25 -6.410 0.715 12.648 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.369 -0.379 15.248 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.093 -1.258 12.745 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.573 -2.106 12.950 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.717 -3.851 14.419 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.503 -2.873 12.963 1.00 0.00 H new ATOM 374 N LEU A 26 -3.552 -0.159 13.587 1.00 0.00 N ATOM 375 CA LEU A 26 -2.108 -0.302 13.667 1.00 0.00 C ATOM 376 C LEU A 26 -1.531 0.845 14.498 1.00 0.00 C ATOM 377 O LEU A 26 -0.367 0.806 14.893 1.00 0.00 O ATOM 378 CB LEU A 26 -1.503 -0.412 12.266 1.00 0.00 C ATOM 379 CG LEU A 26 -1.875 -1.666 11.471 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.429 -1.542 10.013 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.316 -2.924 12.137 1.00 0.00 C ATOM 0 H LEU A 26 -3.885 0.359 12.774 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.844 -1.229 14.177 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.807 0.462 11.691 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.417 -0.372 12.356 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.961 -1.760 11.469 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.705 -2.446 9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.916 -0.681 9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.348 -1.411 9.973 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.595 -3.800 11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.230 -2.855 12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.724 -3.015 13.143 1.00 0.00 H new ATOM 393 N SER A 27 -2.372 1.841 14.737 1.00 0.00 N ATOM 394 CA SER A 27 -1.960 2.998 15.514 1.00 0.00 C ATOM 395 C SER A 27 -0.917 3.805 14.738 1.00 0.00 C ATOM 396 O SER A 27 0.182 4.047 15.235 1.00 0.00 O ATOM 397 CB SER A 27 -1.400 2.577 16.874 1.00 0.00 C ATOM 398 OG SER A 27 -2.207 1.583 17.499 1.00 0.00 O ATOM 0 H SER A 27 -3.336 1.871 14.406 1.00 0.00 H new ATOM 0 HA SER A 27 -2.836 3.622 15.689 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.387 2.194 16.746 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.331 3.450 17.524 1.00 0.00 H new ATOM 0 HG SER A 27 -1.815 1.340 18.364 1.00 0.00 H new ATOM 404 N VAL A 28 -1.298 4.199 13.532 1.00 0.00 N ATOM 405 CA VAL A 28 -0.410 4.973 12.682 1.00 0.00 C ATOM 406 C VAL A 28 -1.231 5.986 11.881 1.00 0.00 C ATOM 407 O VAL A 28 -2.363 5.703 11.492 1.00 0.00 O ATOM 408 CB VAL A 28 0.414 4.037 11.795 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.493 3.320 12.609 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.486 3.033 11.072 1.00 0.00 C ATOM 0 H VAL A 28 -2.210 3.997 13.123 1.00 0.00 H new ATOM 0 HA VAL A 28 0.301 5.536 13.286 1.00 0.00 H new ATOM 0 HB VAL A 28 0.912 4.644 11.039 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.064 2.661 11.955 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.161 4.056 13.056 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.023 2.731 13.397 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.125 2.380 10.449 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.025 2.434 11.806 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.199 3.569 10.446 1.00 0.00 H new ATOM 420 N GLU A 29 -0.629 7.145 11.659 1.00 0.00 N ATOM 421 CA GLU A 29 -1.291 8.201 10.912 1.00 0.00 C ATOM 422 C GLU A 29 -0.683 8.322 9.513 1.00 0.00 C ATOM 423 O GLU A 29 0.534 8.246 9.353 1.00 0.00 O ATOM 424 CB GLU A 29 -1.214 9.533 11.660 1.00 0.00 C ATOM 425 CG GLU A 29 -2.570 10.242 11.658 1.00 0.00 C ATOM 426 CD GLU A 29 -2.927 10.747 13.058 1.00 0.00 C ATOM 427 OE1 GLU A 29 -3.279 9.890 13.898 1.00 0.00 O ATOM 428 OE2 GLU A 29 -2.840 11.978 13.256 1.00 0.00 O ATOM 0 H GLU A 29 0.310 7.376 11.983 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.344 7.941 10.808 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.892 9.360 12.687 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.464 10.173 11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.545 11.079 10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.342 9.557 11.307 1.00 0.00 H new ATOM 435 N ILE A 30 -1.559 8.509 8.536 1.00 0.00 N ATOM 436 CA ILE A 30 -1.123 8.642 7.156 1.00 0.00 C ATOM 437 C ILE A 30 -1.992 9.685 6.450 1.00 0.00 C ATOM 438 O ILE A 30 -3.081 10.012 6.920 1.00 0.00 O ATOM 439 CB ILE A 30 -1.115 7.278 6.464 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.529 6.701 6.371 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.148 6.316 7.158 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.500 5.254 5.876 1.00 0.00 C ATOM 0 H ILE A 30 -2.568 8.571 8.673 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.095 9.002 7.113 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.756 7.415 5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.008 6.745 7.349 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.130 7.309 5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.162 5.354 6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.860 6.729 7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.453 6.179 8.196 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.518 4.868 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.042 5.217 4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.919 4.644 6.568 1.00 0.00 H new ATOM 454 N LYS A 31 -1.478 10.178 5.333 1.00 0.00 N ATOM 455 CA LYS A 31 -2.193 11.177 4.558 1.00 0.00 C ATOM 456 C LYS A 31 -2.580 10.583 3.202 1.00 0.00 C ATOM 457 O LYS A 31 -2.076 9.530 2.815 1.00 0.00 O ATOM 458 CB LYS A 31 -1.371 12.463 4.453 1.00 0.00 C ATOM 459 CG LYS A 31 -1.704 13.421 5.600 1.00 0.00 C ATOM 460 CD LYS A 31 -0.492 13.627 6.511 1.00 0.00 C ATOM 461 CE LYS A 31 -0.335 15.101 6.888 1.00 0.00 C ATOM 462 NZ LYS A 31 1.084 15.416 7.167 1.00 0.00 N ATOM 0 H LYS A 31 -0.575 9.904 4.946 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.119 11.458 5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.308 12.222 4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.570 12.950 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.027 14.380 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.537 13.024 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.605 13.027 7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.410 13.279 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.701 15.731 6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.943 15.325 7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.173 16.420 7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.422 14.828 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.656 15.221 6.320 1.00 0.00 H new ATOM 476 N LYS A 32 -3.472 11.284 2.517 1.00 0.00 N ATOM 477 CA LYS A 32 -3.932 10.839 1.213 1.00 0.00 C ATOM 478 C LYS A 32 -3.084 11.500 0.125 1.00 0.00 C ATOM 479 O LYS A 32 -3.065 11.042 -1.017 1.00 0.00 O ATOM 480 CB LYS A 32 -5.434 11.092 1.060 1.00 0.00 C ATOM 481 CG LYS A 32 -5.834 11.136 -0.416 1.00 0.00 C ATOM 482 CD LYS A 32 -7.286 10.689 -0.604 1.00 0.00 C ATOM 483 CE LYS A 32 -8.242 11.589 0.181 1.00 0.00 C ATOM 484 NZ LYS A 32 -8.725 10.897 1.397 1.00 0.00 N ATOM 0 H LYS A 32 -3.888 12.157 2.841 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.801 9.762 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.993 10.306 1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.699 12.034 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.709 12.148 -0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.173 10.491 -0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.544 10.714 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.398 9.657 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.735 12.513 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.088 11.866 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.745 11.566 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.683 10.529 1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.086 10.108 1.624 1.00 0.00 H new ATOM 498 N GLY A 33 -2.402 12.567 0.516 1.00 0.00 N ATOM 499 CA GLY A 33 -1.554 13.295 -0.411 1.00 0.00 C ATOM 500 C GLY A 33 -0.255 12.533 -0.681 1.00 0.00 C ATOM 501 O GLY A 33 0.127 12.338 -1.833 1.00 0.00 O ATOM 0 H GLY A 33 -2.420 12.945 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.087 13.455 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.324 14.279 -0.003 1.00 0.00 H new ATOM 505 N PRO A 34 0.406 12.113 0.431 1.00 0.00 N ATOM 506 CA PRO A 34 1.654 11.376 0.327 1.00 0.00 C ATOM 507 C PRO A 34 1.403 9.933 -0.113 1.00 0.00 C ATOM 508 O PRO A 34 2.172 9.376 -0.895 1.00 0.00 O ATOM 509 CB PRO A 34 2.286 11.476 1.705 1.00 0.00 C ATOM 510 CG PRO A 34 1.162 11.863 2.653 1.00 0.00 C ATOM 511 CD PRO A 34 -0.017 12.326 1.813 1.00 0.00 C ATOM 0 HA PRO A 34 2.321 11.783 -0.433 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.735 10.527 1.998 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.081 12.222 1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.878 11.014 3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.486 12.657 3.326 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.916 11.755 2.044 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.248 13.375 1.999 1.00 0.00 H new ATOM 519 N TRP A 35 0.325 9.367 0.410 1.00 0.00 N ATOM 520 CA TRP A 35 -0.036 7.999 0.081 1.00 0.00 C ATOM 521 C TRP A 35 -0.001 7.853 -1.441 1.00 0.00 C ATOM 522 O TRP A 35 0.560 6.891 -1.963 1.00 0.00 O ATOM 523 CB TRP A 35 -1.392 7.629 0.686 1.00 0.00 C ATOM 524 CG TRP A 35 -1.942 6.284 0.206 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.459 5.984 -0.993 1.00 0.00 C ATOM 526 CD2 TRP A 35 -2.007 5.061 0.970 1.00 0.00 C ATOM 527 NE1 TRP A 35 -2.852 4.663 -1.058 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.569 4.084 0.173 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.606 4.789 2.289 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.779 2.769 0.606 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.823 3.471 2.707 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.387 2.476 1.918 1.00 0.00 C ATOM 0 H TRP A 35 -0.310 9.831 1.059 1.00 0.00 H new ATOM 0 HA TRP A 35 0.677 7.298 0.514 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.299 7.605 1.772 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.112 8.411 0.444 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.556 6.688 -1.806 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.273 4.197 -1.862 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.165 5.538 2.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.219 2.021 -0.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.532 3.209 3.713 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.522 1.481 2.315 1.00 0.00 H new ATOM 543 N ARG A 36 -0.607 8.822 -2.111 1.00 0.00 N ATOM 544 CA ARG A 36 -0.651 8.814 -3.563 1.00 0.00 C ATOM 545 C ARG A 36 0.739 9.092 -4.139 1.00 0.00 C ATOM 546 O ARG A 36 1.210 8.365 -5.011 1.00 0.00 O ATOM 547 CB ARG A 36 -1.633 9.863 -4.090 1.00 0.00 C ATOM 548 CG ARG A 36 -2.183 9.460 -5.460 1.00 0.00 C ATOM 549 CD ARG A 36 -3.707 9.587 -5.498 1.00 0.00 C ATOM 550 NE ARG A 36 -4.267 8.657 -6.504 1.00 0.00 N ATOM 551 CZ ARG A 36 -5.527 8.710 -6.957 1.00 0.00 C ATOM 552 NH1 ARG A 36 -6.365 9.649 -6.497 1.00 0.00 N ATOM 553 NH2 ARG A 36 -5.948 7.825 -7.871 1.00 0.00 N ATOM 0 H ARG A 36 -1.072 9.618 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.987 7.826 -3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.456 9.983 -3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.134 10.829 -4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.743 10.091 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.894 8.433 -5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.123 9.366 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.989 10.612 -5.741 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.656 7.930 -6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.044 10.323 -5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.324 9.690 -6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.309 7.111 -8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.907 7.865 -8.216 1.00 0.00 H new ATOM 567 N THR A 37 1.356 10.147 -3.627 1.00 0.00 N ATOM 568 CA THR A 37 2.682 10.531 -4.079 1.00 0.00 C ATOM 569 C THR A 37 3.649 9.352 -3.955 1.00 0.00 C ATOM 570 O THR A 37 4.332 9.000 -4.916 1.00 0.00 O ATOM 571 CB THR A 37 3.118 11.760 -3.279 1.00 0.00 C ATOM 572 OG1 THR A 37 2.338 12.822 -3.823 1.00 0.00 O ATOM 573 CG2 THR A 37 4.562 12.169 -3.573 1.00 0.00 C ATOM 0 H THR A 37 0.962 10.748 -2.903 1.00 0.00 H new ATOM 0 HA THR A 37 2.677 10.799 -5.136 1.00 0.00 H new ATOM 0 HB THR A 37 3.009 11.557 -2.214 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.495 12.896 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.820 13.046 -2.979 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.232 11.348 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.665 12.405 -4.632 1.00 0.00 H new ATOM 581 N PHE A 38 3.677 8.773 -2.763 1.00 0.00 N ATOM 582 CA PHE A 38 4.549 7.640 -2.501 1.00 0.00 C ATOM 583 C PHE A 38 4.272 6.497 -3.480 1.00 0.00 C ATOM 584 O PHE A 38 5.167 5.714 -3.795 1.00 0.00 O ATOM 585 CB PHE A 38 4.247 7.163 -1.080 1.00 0.00 C ATOM 586 CG PHE A 38 4.824 8.064 0.015 1.00 0.00 C ATOM 587 CD1 PHE A 38 6.063 8.604 -0.132 1.00 0.00 C ATOM 588 CD2 PHE A 38 4.097 8.324 1.134 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.598 9.440 0.884 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.632 9.160 2.150 1.00 0.00 C ATOM 591 CZ PHE A 38 5.871 9.700 2.003 1.00 0.00 C ATOM 0 H PHE A 38 3.110 9.067 -1.968 1.00 0.00 H new ATOM 0 HA PHE A 38 5.591 7.938 -2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.167 7.099 -0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.644 6.156 -0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.640 8.397 -1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.113 7.895 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.582 9.869 0.768 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.055 9.367 3.039 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.278 10.336 2.775 1.00 0.00 H new ATOM 601 N CYS A 39 3.029 6.438 -3.935 1.00 0.00 N ATOM 602 CA CYS A 39 2.623 5.404 -4.871 1.00 0.00 C ATOM 603 C CYS A 39 2.483 6.038 -6.256 1.00 0.00 C ATOM 604 O CYS A 39 1.913 5.435 -7.164 1.00 0.00 O ATOM 605 CB CYS A 39 1.333 4.712 -4.426 1.00 0.00 C ATOM 606 SG CYS A 39 1.109 3.150 -5.352 1.00 0.00 S ATOM 0 H CYS A 39 2.290 7.090 -3.673 1.00 0.00 H new ATOM 0 HA CYS A 39 3.382 4.623 -4.905 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.371 4.508 -3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.481 5.370 -4.595 1.00 0.00 H new ATOM 0 HG CYS A 39 1.345 3.356 -6.614 1.00 0.00 H new ATOM 612 N ALA A 40 3.012 7.247 -6.375 1.00 0.00 N ATOM 613 CA ALA A 40 2.952 7.970 -7.634 1.00 0.00 C ATOM 614 C ALA A 40 4.269 7.778 -8.390 1.00 0.00 C ATOM 615 O ALA A 40 4.274 7.303 -9.524 1.00 0.00 O ATOM 616 CB ALA A 40 2.645 9.444 -7.362 1.00 0.00 C ATOM 0 H ALA A 40 3.484 7.744 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 40 2.151 7.581 -8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.600 9.987 -8.306 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.687 9.527 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.429 9.870 -6.736 1.00 0.00 H new ATOM 622 N SER A 41 5.354 8.157 -7.730 1.00 0.00 N ATOM 623 CA SER A 41 6.673 8.032 -8.325 1.00 0.00 C ATOM 624 C SER A 41 7.735 7.935 -7.228 1.00 0.00 C ATOM 625 O SER A 41 8.820 8.500 -7.358 1.00 0.00 O ATOM 626 CB SER A 41 6.973 9.213 -9.251 1.00 0.00 C ATOM 627 OG SER A 41 7.380 8.784 -10.548 1.00 0.00 O ATOM 0 H SER A 41 5.346 8.551 -6.789 1.00 0.00 H new ATOM 0 HA SER A 41 6.694 7.121 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.086 9.840 -9.338 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.757 9.829 -8.810 1.00 0.00 H new ATOM 0 HG SER A 41 7.561 9.567 -11.110 1.00 0.00 H new ATOM 633 N GLU A 42 7.386 7.214 -6.173 1.00 0.00 N ATOM 634 CA GLU A 42 8.295 7.036 -5.054 1.00 0.00 C ATOM 635 C GLU A 42 8.652 5.557 -4.891 1.00 0.00 C ATOM 636 O GLU A 42 9.826 5.205 -4.791 1.00 0.00 O ATOM 637 CB GLU A 42 7.696 7.601 -3.765 1.00 0.00 C ATOM 638 CG GLU A 42 8.796 7.988 -2.773 1.00 0.00 C ATOM 639 CD GLU A 42 9.254 9.430 -2.998 1.00 0.00 C ATOM 640 OE1 GLU A 42 9.285 9.838 -4.179 1.00 0.00 O ATOM 641 OE2 GLU A 42 9.564 10.092 -1.984 1.00 0.00 O ATOM 0 H GLU A 42 6.486 6.746 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 42 9.210 7.590 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.086 8.474 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.036 6.861 -3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.428 7.874 -1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.644 7.312 -2.883 1.00 0.00 H new ATOM 648 N TRP A 43 7.616 4.730 -4.868 1.00 0.00 N ATOM 649 CA TRP A 43 7.806 3.297 -4.719 1.00 0.00 C ATOM 650 C TRP A 43 8.275 2.740 -6.064 1.00 0.00 C ATOM 651 O TRP A 43 9.196 1.926 -6.115 1.00 0.00 O ATOM 652 CB TRP A 43 6.530 2.627 -4.206 1.00 0.00 C ATOM 653 CG TRP A 43 6.246 2.881 -2.724 1.00 0.00 C ATOM 654 CD1 TRP A 43 7.108 3.262 -1.772 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.971 2.755 -2.060 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.485 3.391 -0.548 1.00 0.00 N ATOM 657 CE2 TRP A 43 5.144 3.073 -0.728 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.713 2.385 -2.567 1.00 0.00 C ATOM 659 CZ2 TRP A 43 4.102 3.053 0.207 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.682 2.370 -1.620 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.840 2.687 -0.276 1.00 0.00 C ATOM 0 H TRP A 43 6.643 5.025 -4.950 1.00 0.00 H new ATOM 0 HA TRP A 43 8.569 3.084 -3.970 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.684 2.983 -4.794 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.604 1.552 -4.372 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.159 3.445 -1.941 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.927 3.669 0.328 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.554 2.132 -3.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.263 3.306 1.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.694 2.093 -1.958 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.993 2.651 0.393 1.00 0.00 H new ATOM 672 N PRO A 44 7.604 3.212 -7.148 1.00 0.00 N ATOM 673 CA PRO A 44 7.943 2.769 -8.490 1.00 0.00 C ATOM 674 C PRO A 44 9.242 3.418 -8.969 1.00 0.00 C ATOM 675 O PRO A 44 9.677 3.186 -10.096 1.00 0.00 O ATOM 676 CB PRO A 44 6.742 3.143 -9.343 1.00 0.00 C ATOM 677 CG PRO A 44 5.978 4.191 -8.550 1.00 0.00 C ATOM 678 CD PRO A 44 6.508 4.176 -7.125 1.00 0.00 C ATOM 0 HA PRO A 44 8.134 1.697 -8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.057 3.537 -10.309 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.118 2.272 -9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.109 5.177 -8.996 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.910 3.975 -8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.855 5.163 -6.821 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.734 3.879 -6.418 1.00 0.00 H new ATOM 686 N THR A 45 9.827 4.218 -8.089 1.00 0.00 N ATOM 687 CA THR A 45 11.068 4.902 -8.409 1.00 0.00 C ATOM 688 C THR A 45 12.176 4.473 -7.445 1.00 0.00 C ATOM 689 O THR A 45 13.167 5.183 -7.277 1.00 0.00 O ATOM 690 CB THR A 45 10.796 6.408 -8.391 1.00 0.00 C ATOM 691 OG1 THR A 45 10.244 6.646 -7.099 1.00 0.00 O ATOM 692 CG2 THR A 45 9.679 6.812 -9.355 1.00 0.00 C ATOM 0 H THR A 45 9.464 4.407 -7.155 1.00 0.00 H new ATOM 0 HA THR A 45 11.423 4.633 -9.404 1.00 0.00 H new ATOM 0 HB THR A 45 11.709 6.945 -8.648 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.008 7.593 -7.013 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.526 7.890 -9.303 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.957 6.533 -10.371 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.757 6.301 -9.078 1.00 0.00 H new ATOM 700 N PHE A 46 11.972 3.314 -6.837 1.00 0.00 N ATOM 701 CA PHE A 46 12.942 2.782 -5.895 1.00 0.00 C ATOM 702 C PHE A 46 13.860 1.761 -6.570 1.00 0.00 C ATOM 703 O PHE A 46 14.928 1.442 -6.051 1.00 0.00 O ATOM 704 CB PHE A 46 12.152 2.085 -4.786 1.00 0.00 C ATOM 705 CG PHE A 46 11.839 2.983 -3.587 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.930 4.335 -3.707 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.469 2.429 -2.401 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.640 5.168 -2.594 1.00 0.00 C ATOM 709 CE2 PHE A 46 11.179 3.262 -1.288 1.00 0.00 C ATOM 710 CZ PHE A 46 11.270 4.614 -1.408 1.00 0.00 C ATOM 0 H PHE A 46 11.149 2.728 -6.978 1.00 0.00 H new ATOM 0 HA PHE A 46 13.564 3.588 -5.507 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.216 1.711 -5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.717 1.219 -4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.223 4.775 -4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.396 1.356 -2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.713 6.241 -2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.886 2.822 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.049 5.247 -0.562 1.00 0.00 H new ATOM 720 N ASP A 47 13.409 1.276 -7.718 1.00 0.00 N ATOM 721 CA ASP A 47 14.176 0.297 -8.469 1.00 0.00 C ATOM 722 C ASP A 47 14.019 -1.078 -7.816 1.00 0.00 C ATOM 723 O ASP A 47 14.869 -1.497 -7.033 1.00 0.00 O ATOM 724 CB ASP A 47 15.664 0.650 -8.475 1.00 0.00 C ATOM 725 CG ASP A 47 15.975 2.139 -8.644 1.00 0.00 C ATOM 726 OD1 ASP A 47 16.014 2.582 -9.812 1.00 0.00 O ATOM 727 OD2 ASP A 47 16.166 2.801 -7.601 1.00 0.00 O ATOM 0 H ASP A 47 12.522 1.543 -8.146 1.00 0.00 H new ATOM 0 HA ASP A 47 13.803 0.290 -9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.107 0.305 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.149 0.099 -9.281 1.00 0.00 H new ATOM 732 N VAL A 48 12.926 -1.741 -8.164 1.00 0.00 N ATOM 733 CA VAL A 48 12.647 -3.060 -7.621 1.00 0.00 C ATOM 734 C VAL A 48 11.657 -3.784 -8.536 1.00 0.00 C ATOM 735 O VAL A 48 11.906 -4.912 -8.958 1.00 0.00 O ATOM 736 CB VAL A 48 12.150 -2.938 -6.179 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.298 -2.580 -5.232 1.00 0.00 C ATOM 738 CG2 VAL A 48 11.014 -1.919 -6.075 1.00 0.00 C ATOM 0 H VAL A 48 12.223 -1.390 -8.815 1.00 0.00 H new ATOM 0 HA VAL A 48 13.557 -3.660 -7.587 1.00 0.00 H new ATOM 0 HB VAL A 48 11.757 -3.909 -5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.918 -2.499 -4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.060 -3.358 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.734 -1.628 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.679 -1.852 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.369 -0.943 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.183 -2.235 -6.705 1.00 0.00 H new ATOM 748 N GLY A 49 10.553 -3.105 -8.814 1.00 0.00 N ATOM 749 CA GLY A 49 9.524 -3.669 -9.671 1.00 0.00 C ATOM 750 C GLY A 49 8.129 -3.262 -9.193 1.00 0.00 C ATOM 751 O GLY A 49 7.221 -4.091 -9.138 1.00 0.00 O ATOM 0 H GLY A 49 10.349 -2.170 -8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.674 -3.331 -10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.607 -4.756 -9.678 1.00 0.00 H new ATOM 755 N TRP A 50 8.001 -1.987 -8.859 1.00 0.00 N ATOM 756 CA TRP A 50 6.732 -1.460 -8.387 1.00 0.00 C ATOM 757 C TRP A 50 6.100 -0.659 -9.527 1.00 0.00 C ATOM 758 O TRP A 50 6.728 0.243 -10.080 1.00 0.00 O ATOM 759 CB TRP A 50 6.920 -0.637 -7.111 1.00 0.00 C ATOM 760 CG TRP A 50 5.634 0.008 -6.591 1.00 0.00 C ATOM 761 CD1 TRP A 50 5.092 1.178 -6.957 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.745 -0.531 -5.590 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.923 1.431 -6.268 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.706 0.359 -5.410 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.817 -1.731 -4.862 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.660 0.142 -4.505 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.764 -1.932 -3.961 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.711 -1.047 -3.768 1.00 0.00 C ATOM 0 H TRP A 50 8.756 -1.303 -8.906 1.00 0.00 H new ATOM 0 HA TRP A 50 6.056 -2.270 -8.113 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.332 -1.280 -6.333 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.656 0.145 -7.300 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.516 1.839 -7.698 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.328 2.253 -6.370 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.621 -2.442 -4.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.857 0.854 -4.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.771 -2.839 -3.375 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.935 -1.275 -3.052 1.00 0.00 H new ATOM 779 N PRO A 51 4.832 -1.026 -9.853 1.00 0.00 N ATOM 780 CA PRO A 51 4.107 -0.352 -10.917 1.00 0.00 C ATOM 781 C PRO A 51 3.628 1.029 -10.465 1.00 0.00 C ATOM 782 O PRO A 51 3.606 1.322 -9.271 1.00 0.00 O ATOM 783 CB PRO A 51 2.965 -1.290 -11.272 1.00 0.00 C ATOM 784 CG PRO A 51 2.817 -2.232 -10.087 1.00 0.00 C ATOM 785 CD PRO A 51 4.056 -2.089 -9.220 1.00 0.00 C ATOM 0 HA PRO A 51 4.729 -0.156 -11.790 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.043 -0.735 -11.447 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.183 -1.843 -12.186 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.921 -1.989 -9.516 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.707 -3.261 -10.429 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.794 -1.830 -8.194 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.620 -3.021 -9.179 1.00 0.00 H new ATOM 793 N PRO A 52 3.246 1.862 -11.470 1.00 0.00 N ATOM 794 CA PRO A 52 2.769 3.205 -11.187 1.00 0.00 C ATOM 795 C PRO A 52 1.346 3.174 -10.625 1.00 0.00 C ATOM 796 O PRO A 52 0.999 3.975 -9.759 1.00 0.00 O ATOM 797 CB PRO A 52 2.868 3.945 -12.511 1.00 0.00 C ATOM 798 CG PRO A 52 2.955 2.870 -13.583 1.00 0.00 C ATOM 799 CD PRO A 52 3.259 1.549 -12.896 1.00 0.00 C ATOM 0 HA PRO A 52 3.358 3.708 -10.420 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.999 4.584 -12.668 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.746 4.591 -12.533 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.018 2.806 -14.136 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.735 3.113 -14.305 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.513 0.793 -13.143 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.227 1.155 -13.206 1.00 0.00 H new ATOM 807 N GLU A 53 0.560 2.241 -11.142 1.00 0.00 N ATOM 808 CA GLU A 53 -0.817 2.095 -10.703 1.00 0.00 C ATOM 809 C GLU A 53 -0.866 1.486 -9.300 1.00 0.00 C ATOM 810 O GLU A 53 -1.793 1.749 -8.536 1.00 0.00 O ATOM 811 CB GLU A 53 -1.623 1.253 -11.694 1.00 0.00 C ATOM 812 CG GLU A 53 -1.792 1.987 -13.026 1.00 0.00 C ATOM 813 CD GLU A 53 -0.439 2.216 -13.702 1.00 0.00 C ATOM 814 OE1 GLU A 53 0.243 1.202 -13.964 1.00 0.00 O ATOM 815 OE2 GLU A 53 -0.117 3.400 -13.941 1.00 0.00 O ATOM 0 H GLU A 53 0.851 1.579 -11.861 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.271 3.085 -10.664 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.120 0.300 -11.861 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.602 1.027 -11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.438 1.407 -13.685 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.285 2.944 -12.858 1.00 0.00 H new ATOM 822 N GLY A 54 0.146 0.683 -9.003 1.00 0.00 N ATOM 823 CA GLY A 54 0.230 0.034 -7.706 1.00 0.00 C ATOM 824 C GLY A 54 0.098 -1.484 -7.843 1.00 0.00 C ATOM 825 O GLY A 54 -0.158 -1.993 -8.933 1.00 0.00 O ATOM 0 H GLY A 54 0.914 0.467 -9.638 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.181 0.279 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.556 0.414 -7.054 1.00 0.00 H new ATOM 829 N THR A 55 0.279 -2.165 -6.721 1.00 0.00 N ATOM 830 CA THR A 55 0.183 -3.615 -6.701 1.00 0.00 C ATOM 831 C THR A 55 0.006 -4.119 -5.268 1.00 0.00 C ATOM 832 O THR A 55 0.487 -3.495 -4.323 1.00 0.00 O ATOM 833 CB THR A 55 1.423 -4.180 -7.396 1.00 0.00 C ATOM 834 OG1 THR A 55 1.101 -5.550 -7.620 1.00 0.00 O ATOM 835 CG2 THR A 55 2.640 -4.230 -6.470 1.00 0.00 C ATOM 0 H THR A 55 0.492 -1.739 -5.819 1.00 0.00 H new ATOM 0 HA THR A 55 -0.697 -3.961 -7.243 1.00 0.00 H new ATOM 0 HB THR A 55 1.657 -3.574 -8.271 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.851 -5.993 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.493 -4.639 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.877 -3.223 -6.126 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.418 -4.864 -5.611 1.00 0.00 H new ATOM 843 N PHE A 56 -0.685 -5.243 -5.150 1.00 0.00 N ATOM 844 CA PHE A 56 -0.931 -5.838 -3.848 1.00 0.00 C ATOM 845 C PHE A 56 -0.154 -7.146 -3.686 1.00 0.00 C ATOM 846 O PHE A 56 -0.643 -8.091 -3.070 1.00 0.00 O ATOM 847 CB PHE A 56 -2.430 -6.136 -3.768 1.00 0.00 C ATOM 848 CG PHE A 56 -3.293 -4.909 -3.471 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.129 -4.227 -2.306 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.225 -4.499 -4.373 1.00 0.00 C ATOM 851 CE1 PHE A 56 -3.931 -3.088 -2.031 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.027 -3.360 -4.098 1.00 0.00 C ATOM 853 CZ PHE A 56 -4.863 -2.678 -2.933 1.00 0.00 C ATOM 0 H PHE A 56 -1.083 -5.758 -5.936 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.609 -5.156 -3.061 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.754 -6.575 -4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.601 -6.884 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.389 -4.552 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.355 -5.040 -5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.801 -2.547 -1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.767 -3.035 -4.814 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.472 -1.811 -2.724 1.00 0.00 H new ATOM 863 N ASP A 57 1.045 -7.158 -4.251 1.00 0.00 N ATOM 864 CA ASP A 57 1.895 -8.334 -4.178 1.00 0.00 C ATOM 865 C ASP A 57 2.829 -8.209 -2.972 1.00 0.00 C ATOM 866 O ASP A 57 3.747 -7.390 -2.976 1.00 0.00 O ATOM 867 CB ASP A 57 2.759 -8.469 -5.433 1.00 0.00 C ATOM 868 CG ASP A 57 3.667 -9.699 -5.464 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.477 -10.567 -4.585 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.532 -9.744 -6.366 1.00 0.00 O ATOM 0 H ASP A 57 1.448 -6.372 -4.761 1.00 0.00 H new ATOM 0 HA ASP A 57 1.252 -9.209 -4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.105 -8.497 -6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.378 -7.577 -5.527 1.00 0.00 H new ATOM 875 N LEU A 58 2.562 -9.033 -1.969 1.00 0.00 N ATOM 876 CA LEU A 58 3.367 -9.024 -0.760 1.00 0.00 C ATOM 877 C LEU A 58 4.850 -9.022 -1.139 1.00 0.00 C ATOM 878 O LEU A 58 5.640 -8.276 -0.564 1.00 0.00 O ATOM 879 CB LEU A 58 2.969 -10.182 0.157 1.00 0.00 C ATOM 880 CG LEU A 58 2.907 -9.863 1.652 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.587 -9.179 2.013 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.150 -11.120 2.491 1.00 0.00 C ATOM 0 H LEU A 58 1.800 -9.711 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 58 3.183 -8.115 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.992 -10.548 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.678 -10.997 0.009 1.00 0.00 H new ATOM 0 HG LEU A 58 3.707 -9.160 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.569 -8.963 3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.495 -8.248 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.755 -9.837 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.101 -10.866 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.388 -11.864 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.135 -11.526 2.261 1.00 0.00 H new ATOM 894 N THR A 59 5.182 -9.866 -2.105 1.00 0.00 N ATOM 895 CA THR A 59 6.555 -9.971 -2.568 1.00 0.00 C ATOM 896 C THR A 59 7.085 -8.596 -2.981 1.00 0.00 C ATOM 897 O THR A 59 8.214 -8.237 -2.650 1.00 0.00 O ATOM 898 CB THR A 59 6.596 -11.002 -3.697 1.00 0.00 C ATOM 899 OG1 THR A 59 6.331 -12.241 -3.045 1.00 0.00 O ATOM 900 CG2 THR A 59 8.000 -11.180 -4.278 1.00 0.00 C ATOM 0 H THR A 59 4.523 -10.484 -2.580 1.00 0.00 H new ATOM 0 HA THR A 59 7.216 -10.314 -1.772 1.00 0.00 H new ATOM 0 HB THR A 59 5.911 -10.699 -4.489 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.337 -12.966 -3.705 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.972 -11.923 -5.075 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.351 -10.229 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.679 -11.515 -3.494 1.00 0.00 H new ATOM 908 N VAL A 60 6.245 -7.865 -3.699 1.00 0.00 N ATOM 909 CA VAL A 60 6.615 -6.538 -4.161 1.00 0.00 C ATOM 910 C VAL A 60 6.548 -5.557 -2.988 1.00 0.00 C ATOM 911 O VAL A 60 7.396 -4.675 -2.863 1.00 0.00 O ATOM 912 CB VAL A 60 5.725 -6.126 -5.335 1.00 0.00 C ATOM 913 CG1 VAL A 60 6.012 -4.685 -5.762 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.891 -7.089 -6.512 1.00 0.00 C ATOM 0 H VAL A 60 5.310 -8.166 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 60 7.641 -6.534 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 60 4.688 -6.177 -5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.366 -4.418 -6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.820 -4.013 -4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.055 -4.597 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.248 -6.774 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.930 -7.084 -6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.614 -8.096 -6.200 1.00 0.00 H new ATOM 924 N ILE A 61 5.532 -5.745 -2.158 1.00 0.00 N ATOM 925 CA ILE A 61 5.344 -4.889 -1.000 1.00 0.00 C ATOM 926 C ILE A 61 6.543 -5.037 -0.060 1.00 0.00 C ATOM 927 O ILE A 61 7.170 -4.047 0.312 1.00 0.00 O ATOM 928 CB ILE A 61 3.999 -5.179 -0.331 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.842 -4.618 -1.160 1.00 0.00 C ATOM 930 CG2 ILE A 61 3.978 -4.660 1.108 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.495 -5.098 -0.617 1.00 0.00 C ATOM 0 H ILE A 61 4.831 -6.478 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 61 5.304 -3.843 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 61 3.867 -6.260 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.876 -3.529 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.951 -4.928 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.011 -4.879 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.766 -5.148 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.143 -3.583 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.690 -4.685 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.455 -6.187 -0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.379 -4.765 0.414 1.00 0.00 H new ATOM 943 N PHE A 62 6.824 -6.282 0.295 1.00 0.00 N ATOM 944 CA PHE A 62 7.936 -6.573 1.184 1.00 0.00 C ATOM 945 C PHE A 62 9.238 -5.975 0.647 1.00 0.00 C ATOM 946 O PHE A 62 10.143 -5.656 1.417 1.00 0.00 O ATOM 947 CB PHE A 62 8.075 -8.096 1.244 1.00 0.00 C ATOM 948 CG PHE A 62 7.460 -8.728 2.494 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.112 -8.701 2.677 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.260 -9.316 3.423 1.00 0.00 C ATOM 951 CE1 PHE A 62 5.541 -9.288 3.837 1.00 0.00 C ATOM 952 CE2 PHE A 62 7.690 -9.902 4.583 1.00 0.00 C ATOM 953 CZ PHE A 62 6.342 -9.876 4.766 1.00 0.00 C ATOM 0 H PHE A 62 6.301 -7.101 -0.017 1.00 0.00 H new ATOM 0 HA PHE A 62 7.748 -6.143 2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.604 -8.529 0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.133 -8.356 1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.476 -8.233 1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.330 -9.337 3.278 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.471 -9.268 3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.326 -10.369 5.321 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.908 -10.322 5.649 1.00 0.00 H new ATOM 963 N GLU A 63 9.292 -5.843 -0.670 1.00 0.00 N ATOM 964 CA GLU A 63 10.468 -5.289 -1.319 1.00 0.00 C ATOM 965 C GLU A 63 10.579 -3.791 -1.028 1.00 0.00 C ATOM 966 O GLU A 63 11.622 -3.318 -0.578 1.00 0.00 O ATOM 967 CB GLU A 63 10.439 -5.554 -2.826 1.00 0.00 C ATOM 968 CG GLU A 63 10.783 -7.013 -3.133 1.00 0.00 C ATOM 969 CD GLU A 63 12.298 -7.219 -3.188 1.00 0.00 C ATOM 970 OE1 GLU A 63 12.899 -6.750 -4.179 1.00 0.00 O ATOM 971 OE2 GLU A 63 12.822 -7.840 -2.239 1.00 0.00 O ATOM 0 H GLU A 63 8.540 -6.110 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 63 11.350 -5.784 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.451 -5.319 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.148 -4.896 -3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.352 -7.660 -2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.338 -7.303 -4.085 1.00 0.00 H new ATOM 978 N VAL A 64 9.490 -3.086 -1.298 1.00 0.00 N ATOM 979 CA VAL A 64 9.452 -1.651 -1.070 1.00 0.00 C ATOM 980 C VAL A 64 9.431 -1.378 0.435 1.00 0.00 C ATOM 981 O VAL A 64 10.081 -0.447 0.910 1.00 0.00 O ATOM 982 CB VAL A 64 8.260 -1.036 -1.806 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.892 0.325 -1.212 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.541 -0.922 -3.306 1.00 0.00 C ATOM 0 H VAL A 64 8.628 -3.481 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 64 10.346 -1.176 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 64 7.406 -1.701 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.042 0.740 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.629 0.204 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.742 1.001 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.678 -0.482 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.414 -0.289 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.731 -1.913 -3.717 1.00 0.00 H new ATOM 994 N LYS A 65 8.679 -2.207 1.144 1.00 0.00 N ATOM 995 CA LYS A 65 8.565 -2.066 2.586 1.00 0.00 C ATOM 996 C LYS A 65 9.953 -2.191 3.217 1.00 0.00 C ATOM 997 O LYS A 65 10.342 -1.361 4.038 1.00 0.00 O ATOM 998 CB LYS A 65 7.544 -3.061 3.142 1.00 0.00 C ATOM 999 CG LYS A 65 7.573 -3.079 4.672 1.00 0.00 C ATOM 1000 CD LYS A 65 6.927 -4.354 5.217 1.00 0.00 C ATOM 1001 CE LYS A 65 7.622 -4.815 6.500 1.00 0.00 C ATOM 1002 NZ LYS A 65 8.110 -6.204 6.354 1.00 0.00 N ATOM 0 H LYS A 65 8.143 -2.979 0.747 1.00 0.00 H new ATOM 0 HA LYS A 65 8.185 -1.077 2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.545 -2.794 2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.757 -4.059 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.604 -3.011 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.047 -2.206 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.870 -4.174 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.981 -5.143 4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.457 -4.152 6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.929 -4.753 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.579 -6.501 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.307 -6.835 6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.788 -6.253 5.567 1.00 0.00 H new ATOM 1016 N ALA A 66 10.661 -3.235 2.811 1.00 0.00 N ATOM 1017 CA ALA A 66 11.997 -3.479 3.327 1.00 0.00 C ATOM 1018 C ALA A 66 12.895 -2.286 2.991 1.00 0.00 C ATOM 1019 O ALA A 66 13.887 -2.039 3.675 1.00 0.00 O ATOM 1020 CB ALA A 66 12.534 -4.792 2.754 1.00 0.00 C ATOM 0 H ALA A 66 10.334 -3.921 2.131 1.00 0.00 H new ATOM 0 HA ALA A 66 11.976 -3.581 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.536 -4.975 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.877 -5.612 3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.572 -4.726 1.667 1.00 0.00 H new ATOM 1026 N ILE A 67 12.514 -1.578 1.938 1.00 0.00 N ATOM 1027 CA ILE A 67 13.272 -0.417 1.503 1.00 0.00 C ATOM 1028 C ILE A 67 12.953 0.767 2.418 1.00 0.00 C ATOM 1029 O ILE A 67 13.845 1.532 2.783 1.00 0.00 O ATOM 1030 CB ILE A 67 13.018 -0.135 0.021 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.631 -1.227 -0.858 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.516 1.259 -0.365 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.012 -1.217 -2.257 1.00 0.00 C ATOM 0 H ILE A 67 11.690 -1.786 1.373 1.00 0.00 H new ATOM 0 HA ILE A 67 14.342 -0.607 1.588 1.00 0.00 H new ATOM 0 HB ILE A 67 11.942 -0.151 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.708 -1.077 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.476 -2.201 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.323 1.434 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.993 2.009 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.587 1.328 -0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.466 -2.003 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.939 -1.391 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.190 -0.250 -2.727 1.00 0.00 H new ATOM 1045 N VAL A 68 11.679 0.881 2.762 1.00 0.00 N ATOM 1046 CA VAL A 68 11.231 1.959 3.627 1.00 0.00 C ATOM 1047 C VAL A 68 11.584 1.624 5.077 1.00 0.00 C ATOM 1048 O VAL A 68 11.805 2.521 5.889 1.00 0.00 O ATOM 1049 CB VAL A 68 9.736 2.211 3.418 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.342 1.994 1.956 1.00 0.00 C ATOM 1051 CG2 VAL A 68 8.897 1.332 4.348 1.00 0.00 C ATOM 0 H VAL A 68 10.942 0.245 2.457 1.00 0.00 H new ATOM 0 HA VAL A 68 11.742 2.888 3.375 1.00 0.00 H new ATOM 0 HB VAL A 68 9.534 3.253 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.275 2.180 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.904 2.680 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.567 0.967 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.839 1.531 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.106 0.282 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.148 1.556 5.385 1.00 0.00 H new ATOM 1061 N PHE A 69 11.626 0.330 5.358 1.00 0.00 N ATOM 1062 CA PHE A 69 11.948 -0.136 6.696 1.00 0.00 C ATOM 1063 C PHE A 69 13.430 -0.499 6.808 1.00 0.00 C ATOM 1064 O PHE A 69 13.795 -1.414 7.545 1.00 0.00 O ATOM 1065 CB PHE A 69 11.108 -1.389 6.949 1.00 0.00 C ATOM 1066 CG PHE A 69 9.713 -1.100 7.506 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.528 -0.977 8.848 1.00 0.00 C ATOM 1068 CD2 PHE A 69 8.656 -0.968 6.660 1.00 0.00 C ATOM 1069 CE1 PHE A 69 8.233 -0.709 9.365 1.00 0.00 C ATOM 1070 CE2 PHE A 69 7.361 -0.700 7.177 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.177 -0.576 8.519 1.00 0.00 C ATOM 0 H PHE A 69 11.442 -0.411 4.681 1.00 0.00 H new ATOM 0 HA PHE A 69 11.737 0.648 7.423 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.008 -1.942 6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.640 -2.036 7.647 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.366 -1.083 9.520 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.802 -1.067 5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.087 -0.611 10.431 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.522 -0.595 6.505 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.192 -0.372 8.912 1.00 0.00 H new ATOM 1081 N GLN A 70 14.245 0.238 6.067 1.00 0.00 N ATOM 1082 CA GLN A 70 15.679 0.005 6.073 1.00 0.00 C ATOM 1083 C GLN A 70 16.338 0.783 7.215 1.00 0.00 C ATOM 1084 O GLN A 70 15.692 1.601 7.867 1.00 0.00 O ATOM 1085 CB GLN A 70 16.301 0.376 4.726 1.00 0.00 C ATOM 1086 CG GLN A 70 16.253 1.889 4.498 1.00 0.00 C ATOM 1087 CD GLN A 70 17.086 2.286 3.278 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.117 2.929 3.381 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.583 1.868 2.120 1.00 0.00 N ATOM 0 H GLN A 70 13.939 0.997 5.458 1.00 0.00 H new ATOM 0 HA GLN A 70 15.854 -1.059 6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.335 0.032 4.692 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.769 -0.134 3.923 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.220 2.206 4.356 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.627 2.406 5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.715 1.333 2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.066 2.082 1.247 1.00 0.00 H new ATOM 1149 N HIS A 76 12.338 5.370 5.427 1.00 0.00 N ATOM 1150 CA HIS A 76 11.162 6.219 5.335 1.00 0.00 C ATOM 1151 C HIS A 76 10.146 5.806 6.402 1.00 0.00 C ATOM 1152 O HIS A 76 9.325 4.920 6.172 1.00 0.00 O ATOM 1153 CB HIS A 76 10.581 6.189 3.920 1.00 0.00 C ATOM 1154 CG HIS A 76 11.586 5.831 2.851 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.704 6.601 2.585 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.629 4.778 1.985 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.382 6.028 1.601 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.714 4.899 1.231 1.00 0.00 N ATOM 0 HA HIS A 76 11.440 7.255 5.530 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.762 5.470 3.890 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.156 7.166 3.692 1.00 0.00 H new ATOM 0 HD2 HIS A 76 10.903 3.981 1.924 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.302 6.392 1.168 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.001 4.253 0.495 1.00 0.00 H new ATOM 1166 N PRO A 77 10.237 6.487 7.575 1.00 0.00 N ATOM 1167 CA PRO A 77 9.336 6.201 8.679 1.00 0.00 C ATOM 1168 C PRO A 77 7.943 6.776 8.413 1.00 0.00 C ATOM 1169 O PRO A 77 7.011 6.534 9.177 1.00 0.00 O ATOM 1170 CB PRO A 77 10.006 6.807 9.901 1.00 0.00 C ATOM 1171 CG PRO A 77 11.019 7.807 9.369 1.00 0.00 C ATOM 1172 CD PRO A 77 11.197 7.544 7.882 1.00 0.00 C ATOM 0 HA PRO A 77 9.170 5.133 8.821 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.275 7.297 10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.494 6.038 10.500 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.673 8.827 9.538 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.970 7.702 9.892 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.000 8.441 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.216 7.232 7.654 1.00 0.00 H new ATOM 1180 N ASP A 78 7.847 7.528 7.326 1.00 0.00 N ATOM 1181 CA ASP A 78 6.584 8.140 6.950 1.00 0.00 C ATOM 1182 C ASP A 78 5.768 7.147 6.119 1.00 0.00 C ATOM 1183 O ASP A 78 4.547 7.081 6.249 1.00 0.00 O ATOM 1184 CB ASP A 78 6.810 9.393 6.100 1.00 0.00 C ATOM 1185 CG ASP A 78 5.748 10.483 6.259 1.00 0.00 C ATOM 1186 OD1 ASP A 78 4.661 10.145 6.775 1.00 0.00 O ATOM 1187 OD2 ASP A 78 6.048 11.629 5.862 1.00 0.00 O ATOM 0 H ASP A 78 8.623 7.727 6.694 1.00 0.00 H new ATOM 0 HA ASP A 78 6.057 8.414 7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.783 9.815 6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.853 9.099 5.051 1.00 0.00 H new ATOM 1192 N GLN A 79 6.476 6.400 5.285 1.00 0.00 N ATOM 1193 CA GLN A 79 5.833 5.414 4.434 1.00 0.00 C ATOM 1194 C GLN A 79 5.721 4.074 5.165 1.00 0.00 C ATOM 1195 O GLN A 79 4.938 3.211 4.770 1.00 0.00 O ATOM 1196 CB GLN A 79 6.586 5.256 3.112 1.00 0.00 C ATOM 1197 CG GLN A 79 6.544 6.551 2.298 1.00 0.00 C ATOM 1198 CD GLN A 79 7.929 7.196 2.223 1.00 0.00 C ATOM 1199 OE1 GLN A 79 8.245 8.134 2.936 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.735 6.644 1.321 1.00 0.00 N ATOM 0 H GLN A 79 7.489 6.458 5.181 1.00 0.00 H new ATOM 0 HA GLN A 79 4.827 5.764 4.202 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.622 4.980 3.310 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.145 4.444 2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.182 6.341 1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.839 7.247 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.408 5.860 0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.681 7.004 1.194 1.00 0.00 H new ATOM 1209 N GLN A 80 6.515 3.943 6.218 1.00 0.00 N ATOM 1210 CA GLN A 80 6.514 2.723 7.007 1.00 0.00 C ATOM 1211 C GLN A 80 5.083 2.332 7.379 1.00 0.00 C ATOM 1212 O GLN A 80 4.686 1.180 7.208 1.00 0.00 O ATOM 1213 CB GLN A 80 7.382 2.879 8.258 1.00 0.00 C ATOM 1214 CG GLN A 80 8.768 2.266 8.043 1.00 0.00 C ATOM 1215 CD GLN A 80 9.746 2.729 9.125 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.435 2.765 10.305 1.00 0.00 O ATOM 1217 NE2 GLN A 80 10.941 3.079 8.660 1.00 0.00 N ATOM 0 H GLN A 80 7.163 4.661 6.543 1.00 0.00 H new ATOM 0 HA GLN A 80 6.943 1.923 6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.482 3.936 8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.895 2.397 9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.695 1.179 8.055 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.146 2.549 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.135 3.025 7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.664 3.402 9.303 1.00 0.00 H new ATOM 1226 N PRO A 81 4.327 3.338 7.895 1.00 0.00 N ATOM 1227 CA PRO A 81 2.948 3.111 8.292 1.00 0.00 C ATOM 1228 C PRO A 81 2.035 3.005 7.069 1.00 0.00 C ATOM 1229 O PRO A 81 0.965 2.402 7.139 1.00 0.00 O ATOM 1230 CB PRO A 81 2.600 4.284 9.194 1.00 0.00 C ATOM 1231 CG PRO A 81 3.633 5.359 8.897 1.00 0.00 C ATOM 1232 CD PRO A 81 4.764 4.714 8.112 1.00 0.00 C ATOM 0 HA PRO A 81 2.812 2.167 8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.591 4.645 8.993 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.631 3.992 10.244 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.185 6.171 8.324 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.010 5.793 9.823 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.934 5.229 7.167 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.701 4.749 8.667 1.00 0.00 H new ATOM 1240 N TYR A 82 2.491 3.601 5.977 1.00 0.00 N ATOM 1241 CA TYR A 82 1.729 3.582 4.740 1.00 0.00 C ATOM 1242 C TYR A 82 1.813 2.211 4.066 1.00 0.00 C ATOM 1243 O TYR A 82 0.792 1.631 3.700 1.00 0.00 O ATOM 1244 CB TYR A 82 2.377 4.626 3.829 1.00 0.00 C ATOM 1245 CG TYR A 82 2.035 6.071 4.197 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.207 6.512 5.493 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.555 6.933 3.232 1.00 0.00 C ATOM 1248 CE1 TYR A 82 1.885 7.873 5.839 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.233 8.293 3.578 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.413 8.696 4.864 1.00 0.00 C ATOM 1251 OH TYR A 82 1.109 9.981 5.191 1.00 0.00 O ATOM 0 H TYR A 82 3.379 4.100 5.923 1.00 0.00 H new ATOM 0 HA TYR A 82 0.677 3.792 4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.459 4.500 3.862 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.065 4.440 2.801 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.583 5.837 6.248 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.421 6.588 2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.015 8.232 6.849 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.857 8.978 2.832 1.00 0.00 H new ATOM 0 HH TYR A 82 1.900 10.546 5.068 1.00 0.00 H new ATOM 1261 N ILE A 83 3.040 1.733 3.921 1.00 0.00 N ATOM 1262 CA ILE A 83 3.271 0.441 3.297 1.00 0.00 C ATOM 1263 C ILE A 83 2.689 -0.661 4.185 1.00 0.00 C ATOM 1264 O ILE A 83 2.230 -1.687 3.686 1.00 0.00 O ATOM 1265 CB ILE A 83 4.757 0.256 2.981 1.00 0.00 C ATOM 1266 CG1 ILE A 83 4.985 -0.996 2.132 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.592 0.239 4.263 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.100 -0.981 0.884 1.00 0.00 C ATOM 0 H ILE A 83 3.885 2.217 4.225 1.00 0.00 H new ATOM 0 HA ILE A 83 2.756 0.384 2.338 1.00 0.00 H new ATOM 0 HB ILE A 83 5.090 1.110 2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.033 -1.055 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.770 -1.885 2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.644 0.106 4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.463 1.182 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.265 -0.583 4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.282 -1.882 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.052 -0.947 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.335 -0.103 0.282 1.00 0.00 H new ATOM 1280 N THR A 84 2.729 -0.411 5.485 1.00 0.00 N ATOM 1281 CA THR A 84 2.211 -1.369 6.448 1.00 0.00 C ATOM 1282 C THR A 84 0.770 -1.748 6.101 1.00 0.00 C ATOM 1283 O THR A 84 0.414 -2.925 6.112 1.00 0.00 O ATOM 1284 CB THR A 84 2.361 -0.764 7.845 1.00 0.00 C ATOM 1285 OG1 THR A 84 3.743 -0.930 8.149 1.00 0.00 O ATOM 1286 CG2 THR A 84 1.642 -1.583 8.918 1.00 0.00 C ATOM 0 H THR A 84 3.112 0.441 5.895 1.00 0.00 H new ATOM 0 HA THR A 84 2.775 -2.302 6.420 1.00 0.00 H new ATOM 0 HB THR A 84 1.971 0.254 7.843 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.187 -0.056 8.142 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.780 -1.110 9.890 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.578 -1.632 8.686 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.055 -2.592 8.943 1.00 0.00 H new ATOM 1294 N VAL A 85 -0.021 -0.727 5.801 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.415 -0.939 5.452 1.00 0.00 C ATOM 1296 C VAL A 85 -1.495 -1.774 4.172 1.00 0.00 C ATOM 1297 O VAL A 85 -2.325 -2.676 4.066 1.00 0.00 O ATOM 1298 CB VAL A 85 -2.134 0.407 5.333 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.549 0.225 4.779 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -2.162 1.134 6.679 1.00 0.00 C ATOM 0 H VAL A 85 0.278 0.248 5.793 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.925 -1.498 6.237 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.575 1.025 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.038 1.196 4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.497 -0.232 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.121 -0.419 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.678 2.087 6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.686 0.521 7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.141 1.312 7.018 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.621 -1.444 3.233 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.582 -2.153 1.965 1.00 0.00 C ATOM 1312 C TRP A 86 -0.380 -3.640 2.261 1.00 0.00 C ATOM 1313 O TRP A 86 -1.081 -4.487 1.710 1.00 0.00 O ATOM 1314 CB TRP A 86 0.496 -1.574 1.046 1.00 0.00 C ATOM 1315 CG TRP A 86 0.040 -0.353 0.244 1.00 0.00 C ATOM 1316 CD1 TRP A 86 -0.041 0.920 0.653 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.397 -0.343 -1.132 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.497 1.747 -0.353 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.720 0.954 -1.473 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.516 -1.395 -2.057 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.182 1.320 -2.743 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -0.979 -1.013 -3.321 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.308 0.289 -3.681 1.00 0.00 C ATOM 0 H TRP A 86 0.066 -0.695 3.325 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.521 -2.030 1.425 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.362 -1.298 1.648 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.823 -2.349 0.353 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.218 1.257 1.646 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.643 2.754 -0.287 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.269 -2.417 -1.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.428 2.343 -2.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.088 -1.784 -4.070 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.659 0.504 -4.680 1.00 0.00 H new ATOM 1334 N GLN A 87 0.583 -3.913 3.129 1.00 0.00 N ATOM 1335 CA GLN A 87 0.886 -5.283 3.505 1.00 0.00 C ATOM 1336 C GLN A 87 -0.342 -5.945 4.134 1.00 0.00 C ATOM 1337 O GLN A 87 -0.713 -7.056 3.758 1.00 0.00 O ATOM 1338 CB GLN A 87 2.085 -5.339 4.453 1.00 0.00 C ATOM 1339 CG GLN A 87 2.300 -6.759 4.982 1.00 0.00 C ATOM 1340 CD GLN A 87 1.916 -6.858 6.459 1.00 0.00 C ATOM 1341 OE1 GLN A 87 0.847 -6.445 6.878 1.00 0.00 O ATOM 1342 NE2 GLN A 87 2.845 -7.426 7.223 1.00 0.00 N ATOM 0 H GLN A 87 1.164 -3.208 3.583 1.00 0.00 H new ATOM 0 HA GLN A 87 1.151 -5.836 2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.981 -5.002 3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.925 -4.656 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.704 -7.462 4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.344 -7.044 4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.719 -7.750 6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.684 -7.538 8.224 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.938 -5.235 5.080 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.116 -5.740 5.764 1.00 0.00 C ATOM 1353 C ASP A 88 -3.223 -6.000 4.740 1.00 0.00 C ATOM 1354 O ASP A 88 -3.983 -6.958 4.872 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.641 -4.724 6.780 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.259 -5.331 8.041 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -3.053 -6.547 8.246 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -3.924 -4.565 8.772 1.00 0.00 O ATOM 0 H ASP A 88 -0.627 -4.314 5.389 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.837 -6.657 6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.820 -4.070 7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.388 -4.098 6.292 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.280 -5.128 3.744 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.281 -5.251 2.698 1.00 0.00 C ATOM 1365 C LEU A 89 -4.137 -6.614 2.017 1.00 0.00 C ATOM 1366 O LEU A 89 -5.117 -7.338 1.856 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.195 -4.068 1.732 1.00 0.00 C ATOM 1368 CG LEU A 89 -5.047 -2.848 2.088 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.518 -1.590 1.397 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.523 -3.098 1.772 1.00 0.00 C ATOM 0 H LEU A 89 -2.649 -4.333 3.639 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.284 -5.212 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.154 -3.753 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.486 -4.413 0.740 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.972 -2.681 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.141 -0.737 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.492 -1.404 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.543 -1.731 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.106 -2.215 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.637 -3.305 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.879 -3.952 2.348 1.00 0.00 H new ATOM 1382 N VAL A 90 -2.906 -6.921 1.635 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.620 -8.183 0.975 1.00 0.00 C ATOM 1384 C VAL A 90 -3.088 -9.336 1.865 1.00 0.00 C ATOM 1385 O VAL A 90 -3.730 -10.272 1.389 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.134 -8.265 0.622 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -0.820 -9.556 -0.136 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.692 -7.038 -0.179 1.00 0.00 C ATOM 0 H VAL A 90 -2.095 -6.317 1.770 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.167 -8.255 0.035 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.569 -8.278 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.243 -9.588 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.079 -10.414 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.400 -9.587 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.368 -7.122 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.268 -6.980 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.861 -6.138 0.411 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.748 -9.232 3.141 1.00 0.00 N ATOM 1399 CA GLN A 91 -3.125 -10.255 4.102 1.00 0.00 C ATOM 1400 C GLN A 91 -4.645 -10.431 4.120 1.00 0.00 C ATOM 1401 O GLN A 91 -5.156 -11.478 3.724 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.595 -9.918 5.497 1.00 0.00 C ATOM 1403 CG GLN A 91 -1.093 -10.190 5.594 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.676 -10.461 7.041 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -1.057 -9.761 7.965 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.124 -11.514 7.185 1.00 0.00 N ATOM 0 H GLN A 91 -2.215 -8.455 3.532 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.673 -11.199 3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.794 -8.870 5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.124 -10.510 6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.834 -11.046 4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.539 -9.335 5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.405 -12.057 6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.457 -11.779 8.112 1.00 0.00 H new ATOM 1415 N ASN A 92 -5.324 -9.392 4.584 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.774 -9.420 4.659 1.00 0.00 C ATOM 1417 C ASN A 92 -7.359 -8.970 3.319 1.00 0.00 C ATOM 1418 O ASN A 92 -8.154 -8.033 3.268 1.00 0.00 O ATOM 1419 CB ASN A 92 -7.288 -8.469 5.742 1.00 0.00 C ATOM 1420 CG ASN A 92 -7.360 -9.172 7.099 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -8.348 -9.794 7.453 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -6.262 -9.038 7.837 1.00 0.00 N ATOM 0 H ASN A 92 -4.896 -8.526 4.912 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.079 -10.439 4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.631 -7.602 5.812 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.276 -8.099 5.467 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.212 -9.470 8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.470 -8.503 7.480 1.00 0.00 H new ATOM 1429 N SER A 93 -6.942 -9.658 2.266 1.00 0.00 N ATOM 1430 CA SER A 93 -7.414 -9.341 0.929 1.00 0.00 C ATOM 1431 C SER A 93 -8.889 -8.937 0.977 1.00 0.00 C ATOM 1432 O SER A 93 -9.751 -9.759 1.286 1.00 0.00 O ATOM 1433 CB SER A 93 -7.218 -10.525 -0.020 1.00 0.00 C ATOM 1434 OG SER A 93 -8.307 -11.442 0.039 1.00 0.00 O ATOM 0 H SER A 93 -6.282 -10.434 2.312 1.00 0.00 H new ATOM 0 HA SER A 93 -6.827 -8.505 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.108 -10.158 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.293 -11.043 0.233 1.00 0.00 H new ATOM 0 HG SER A 93 -8.905 -11.192 0.774 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.141 -7.639 0.658 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.497 -7.117 0.662 1.00 0.00 C ATOM 1442 C PRO A 94 -11.275 -7.605 -0.561 1.00 0.00 C ATOM 1443 O PRO A 94 -10.688 -8.125 -1.509 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.336 -5.606 0.701 1.00 0.00 C ATOM 1445 CG PRO A 94 -8.912 -5.327 0.249 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.145 -6.638 0.287 1.00 0.00 C ATOM 0 HA PRO A 94 -11.080 -7.464 1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.057 -5.119 0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.510 -5.220 1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.906 -4.911 -0.758 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.442 -4.591 0.901 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.698 -6.864 -0.681 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.332 -6.600 1.012 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.621 -7.415 -0.500 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.486 -7.829 -1.591 1.00 0.00 C ATOM 1456 C PRO A 95 -13.369 -6.870 -2.777 1.00 0.00 C ATOM 1457 O PRO A 95 -13.632 -7.252 -3.917 1.00 0.00 O ATOM 1458 CB PRO A 95 -14.883 -7.867 -0.993 1.00 0.00 C ATOM 1459 CG PRO A 95 -14.816 -7.030 0.274 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.351 -6.802 0.606 1.00 0.00 C ATOM 0 HA PRO A 95 -13.215 -8.804 -1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.617 -7.463 -1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.185 -8.890 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.327 -6.078 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.318 -7.541 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.125 -5.739 0.689 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.085 -7.260 1.559 1.00 0.00 H new ATOM 1468 N TRP A 96 -12.976 -5.643 -2.469 1.00 0.00 N ATOM 1469 CA TRP A 96 -12.822 -4.627 -3.496 1.00 0.00 C ATOM 1470 C TRP A 96 -11.474 -4.851 -4.185 1.00 0.00 C ATOM 1471 O TRP A 96 -11.178 -4.219 -5.198 1.00 0.00 O ATOM 1472 CB TRP A 96 -12.964 -3.223 -2.904 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.206 -3.022 -1.590 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.630 -3.282 -0.345 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -10.867 -2.506 -1.440 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.665 -2.972 0.592 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.559 -2.485 -0.095 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -9.946 -2.070 -2.409 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.330 -2.037 0.404 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -8.722 -1.626 -1.894 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.397 -1.599 -0.543 1.00 0.00 C ATOM 0 H TRP A 96 -12.760 -5.329 -1.523 1.00 0.00 H new ATOM 0 HA TRP A 96 -13.612 -4.710 -4.242 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -12.607 -2.495 -3.632 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.021 -3.015 -2.737 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.604 -3.683 -0.105 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.748 -3.080 1.603 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.165 -2.077 -3.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.114 -2.030 1.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -7.978 -1.280 -2.596 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.429 -1.242 -0.225 1.00 0.00 H new ATOM 1492 N ILE A 97 -10.693 -5.752 -3.607 1.00 0.00 N ATOM 1493 CA ILE A 97 -9.384 -6.067 -4.153 1.00 0.00 C ATOM 1494 C ILE A 97 -9.445 -7.420 -4.865 1.00 0.00 C ATOM 1495 O ILE A 97 -9.257 -7.496 -6.078 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.316 -5.996 -3.059 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -7.835 -4.558 -2.856 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.159 -6.951 -3.359 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -6.653 -4.508 -1.885 1.00 0.00 C ATOM 0 H ILE A 97 -10.942 -6.274 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.094 -5.327 -4.899 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.766 -6.321 -2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.541 -4.130 -3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.652 -3.948 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.414 -6.881 -2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.535 -7.973 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.702 -6.681 -4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.330 -3.475 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.957 -4.914 -0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.829 -5.099 -2.284 1.00 0.00 H new