USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 773 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 49 CYS SG : rot 4:sc= -0.228 USER MOD Set 1.2: A 53 HIS :FLIP no HD1:sc= -1.87 F(o=-3.1,f=-2.1) USER MOD Single : A 6 SER OG : rot -6:sc= 0.665 USER MOD Single : A 12 ASN : amide:sc= -4.09! C(o=-4.1!,f=-10!) USER MOD Single : A 15 TYR OH : rot 172:sc= 0.122 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -19:sc= 0.701 USER MOD Single : A 23 THR OG1 : rot 110:sc= 1.22 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0226 USER MOD Single : A 29 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -144:sc= -2.64 USER MOD Single : A 39 LYS NZ :NH3+ -106:sc= -3.68! (180deg=-6.44!) USER MOD Single : A 44 ASN : amide:sc= -0.0266 K(o=-0.027,f=-2.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.83 K(o=0.83,f=-4.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0755 X(o=-0.076,f=-0.082) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.977 K(o=-0.98,f=-3.9!) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -4.74! F(o=-5.5,f=-4.7!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -46:sc= 1.41 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0845 USER MOD Single : A 90 THR OG1 : rot -79:sc= 0.85 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 0.309 -7.489 -9.296 1.00 0.00 N ATOM 63 CA GLU A 5 0.447 -6.073 -9.603 1.00 0.00 C ATOM 64 C GLU A 5 -0.898 -5.450 -9.962 1.00 0.00 C ATOM 65 O GLU A 5 -0.989 -4.605 -10.852 1.00 0.00 O ATOM 66 CB GLU A 5 1.444 -5.879 -10.739 1.00 0.00 C ATOM 67 CG GLU A 5 2.619 -5.007 -10.346 1.00 0.00 C ATOM 68 CD GLU A 5 3.690 -4.945 -11.418 1.00 0.00 C ATOM 69 OE1 GLU A 5 3.824 -5.925 -12.180 1.00 0.00 O ATOM 70 OE2 GLU A 5 4.394 -3.916 -11.495 1.00 0.00 O ATOM 0 HA GLU A 5 0.820 -5.567 -8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.812 -6.852 -11.063 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.934 -5.431 -11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.263 -3.998 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.056 -5.389 -9.424 1.00 0.00 H new ATOM 77 N SER A 6 -1.934 -5.875 -9.257 1.00 0.00 N ATOM 78 CA SER A 6 -3.283 -5.367 -9.486 1.00 0.00 C ATOM 79 C SER A 6 -4.230 -5.839 -8.388 1.00 0.00 C ATOM 80 O SER A 6 -4.390 -7.040 -8.170 1.00 0.00 O ATOM 81 CB SER A 6 -3.800 -5.822 -10.852 1.00 0.00 C ATOM 82 OG SER A 6 -4.282 -7.154 -10.797 1.00 0.00 O ATOM 0 H SER A 6 -1.869 -6.574 -8.517 1.00 0.00 H new ATOM 0 HA SER A 6 -3.243 -4.278 -9.468 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.598 -5.157 -11.183 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.000 -5.751 -11.589 1.00 0.00 H new ATOM 0 HG SER A 6 -4.098 -7.532 -9.912 1.00 0.00 H new ATOM 88 N ILE A 7 -4.856 -4.892 -7.695 1.00 0.00 N ATOM 89 CA ILE A 7 -5.780 -5.225 -6.620 1.00 0.00 C ATOM 90 C ILE A 7 -7.229 -5.055 -7.062 1.00 0.00 C ATOM 91 O ILE A 7 -7.825 -3.995 -6.873 1.00 0.00 O ATOM 92 CB ILE A 7 -5.523 -4.357 -5.369 1.00 0.00 C ATOM 93 CG1 ILE A 7 -6.560 -4.653 -4.276 1.00 0.00 C ATOM 94 CG2 ILE A 7 -5.536 -2.882 -5.737 1.00 0.00 C ATOM 95 CD1 ILE A 7 -5.956 -5.196 -3.001 1.00 0.00 C ATOM 0 H ILE A 7 -4.740 -3.892 -7.859 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.607 -6.271 -6.367 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.538 -4.606 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -7.107 -3.738 -4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.285 -5.371 -4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.353 -2.283 -4.845 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.757 -2.684 -6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.507 -2.620 -6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.747 -5.382 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.433 -6.128 -3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.252 -4.470 -2.594 1.00 0.00 H new ATOM 107 N ARG A 8 -7.794 -6.110 -7.636 1.00 0.00 N ATOM 108 CA ARG A 8 -9.178 -6.081 -8.089 1.00 0.00 C ATOM 109 C ARG A 8 -10.076 -6.799 -7.088 1.00 0.00 C ATOM 110 O ARG A 8 -10.595 -7.881 -7.366 1.00 0.00 O ATOM 111 CB ARG A 8 -9.303 -6.728 -9.470 1.00 0.00 C ATOM 112 CG ARG A 8 -10.712 -6.674 -10.042 1.00 0.00 C ATOM 113 CD ARG A 8 -10.724 -6.135 -11.465 1.00 0.00 C ATOM 114 NE ARG A 8 -11.146 -7.147 -12.431 1.00 0.00 N ATOM 115 CZ ARG A 8 -10.349 -8.107 -12.894 1.00 0.00 C ATOM 116 NH1 ARG A 8 -9.088 -8.187 -12.487 1.00 0.00 N ATOM 117 NH2 ARG A 8 -10.813 -8.989 -13.769 1.00 0.00 N ATOM 0 H ARG A 8 -7.315 -6.996 -7.799 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.496 -5.041 -8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.621 -6.230 -10.159 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.986 -7.769 -9.405 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.148 -7.673 -10.028 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.337 -6.044 -9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.395 -5.278 -11.522 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.728 -5.778 -11.726 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.107 -7.116 -12.770 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.725 -7.510 -11.816 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.482 -8.925 -12.846 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.780 -8.931 -14.087 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.202 -9.725 -14.124 1.00 0.00 H new ATOM 131 N PHE A 9 -10.250 -6.191 -5.919 1.00 0.00 N ATOM 132 CA PHE A 9 -11.080 -6.771 -4.871 1.00 0.00 C ATOM 133 C PHE A 9 -12.541 -6.372 -5.056 1.00 0.00 C ATOM 134 O PHE A 9 -12.899 -5.203 -4.911 1.00 0.00 O ATOM 135 CB PHE A 9 -10.575 -6.337 -3.490 1.00 0.00 C ATOM 136 CG PHE A 9 -10.791 -4.880 -3.193 1.00 0.00 C ATOM 137 CD1 PHE A 9 -9.874 -3.932 -3.616 1.00 0.00 C ATOM 138 CD2 PHE A 9 -11.907 -4.460 -2.488 1.00 0.00 C ATOM 139 CE1 PHE A 9 -10.065 -2.592 -3.343 1.00 0.00 C ATOM 140 CE2 PHE A 9 -12.104 -3.120 -2.212 1.00 0.00 C ATOM 141 CZ PHE A 9 -11.182 -2.185 -2.639 1.00 0.00 C ATOM 0 H PHE A 9 -9.827 -5.296 -5.674 1.00 0.00 H new ATOM 0 HA PHE A 9 -11.012 -7.857 -4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -11.077 -6.932 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.510 -6.559 -3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.999 -4.245 -4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -12.631 -5.187 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.342 -1.863 -3.679 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -12.979 -2.804 -1.663 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.334 -1.138 -2.423 1.00 0.00 H new ATOM 151 N GLY A 10 -13.379 -7.350 -5.383 1.00 0.00 N ATOM 152 CA GLY A 10 -14.789 -7.079 -5.589 1.00 0.00 C ATOM 153 C GLY A 10 -15.043 -6.280 -6.854 1.00 0.00 C ATOM 154 O GLY A 10 -14.298 -6.402 -7.826 1.00 0.00 O ATOM 0 H GLY A 10 -13.107 -8.325 -5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.334 -8.022 -5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.181 -6.532 -4.731 1.00 0.00 H new ATOM 158 N PRO A 11 -16.096 -5.446 -6.873 1.00 0.00 N ATOM 159 CA PRO A 11 -16.433 -4.626 -8.041 1.00 0.00 C ATOM 160 C PRO A 11 -15.432 -3.495 -8.273 1.00 0.00 C ATOM 161 O PRO A 11 -15.479 -2.816 -9.298 1.00 0.00 O ATOM 162 CB PRO A 11 -17.809 -4.058 -7.690 1.00 0.00 C ATOM 163 CG PRO A 11 -17.841 -4.042 -6.201 1.00 0.00 C ATOM 164 CD PRO A 11 -17.040 -5.235 -5.758 1.00 0.00 C ATOM 0 HA PRO A 11 -16.417 -5.208 -8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.941 -3.057 -8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.609 -4.677 -8.097 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -17.414 -3.118 -5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.865 -4.100 -5.832 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -16.518 -5.043 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.674 -6.107 -5.597 1.00 0.00 H new ATOM 172 N ASN A 12 -14.528 -3.296 -7.316 1.00 0.00 N ATOM 173 CA ASN A 12 -13.521 -2.246 -7.425 1.00 0.00 C ATOM 174 C ASN A 12 -12.178 -2.823 -7.860 1.00 0.00 C ATOM 175 O ASN A 12 -11.990 -4.039 -7.883 1.00 0.00 O ATOM 176 CB ASN A 12 -13.367 -1.518 -6.088 1.00 0.00 C ATOM 177 CG ASN A 12 -14.217 -0.265 -6.010 1.00 0.00 C ATOM 178 OD1 ASN A 12 -13.759 0.831 -6.334 1.00 0.00 O ATOM 179 ND2 ASN A 12 -15.462 -0.421 -5.575 1.00 0.00 N ATOM 0 H ASN A 12 -14.473 -3.847 -6.459 1.00 0.00 H new ATOM 0 HA ASN A 12 -13.853 -1.536 -8.182 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -13.643 -2.192 -5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.320 -1.253 -5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.080 0.386 -5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.800 -1.348 -5.317 1.00 0.00 H new ATOM 186 N VAL A 13 -11.246 -1.939 -8.199 1.00 0.00 N ATOM 187 CA VAL A 13 -9.917 -2.352 -8.631 1.00 0.00 C ATOM 188 C VAL A 13 -8.969 -1.158 -8.665 1.00 0.00 C ATOM 189 O VAL A 13 -9.290 -0.120 -9.242 1.00 0.00 O ATOM 190 CB VAL A 13 -9.955 -3.011 -10.024 1.00 0.00 C ATOM 191 CG1 VAL A 13 -10.474 -2.033 -11.067 1.00 0.00 C ATOM 192 CG2 VAL A 13 -8.579 -3.533 -10.408 1.00 0.00 C ATOM 0 H VAL A 13 -11.388 -0.929 -8.183 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.556 -3.085 -7.909 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.640 -3.858 -9.984 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.493 -2.518 -12.043 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.482 -1.717 -10.799 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.819 -1.162 -11.107 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.627 -3.994 -11.394 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.869 -2.706 -10.428 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.253 -4.273 -9.677 1.00 0.00 H new ATOM 202 N PHE A 14 -7.804 -1.307 -8.042 1.00 0.00 N ATOM 203 CA PHE A 14 -6.822 -0.230 -8.005 1.00 0.00 C ATOM 204 C PHE A 14 -5.528 -0.645 -8.694 1.00 0.00 C ATOM 205 O PHE A 14 -4.867 -1.597 -8.280 1.00 0.00 O ATOM 206 CB PHE A 14 -6.532 0.183 -6.560 1.00 0.00 C ATOM 207 CG PHE A 14 -5.967 1.569 -6.435 1.00 0.00 C ATOM 208 CD1 PHE A 14 -4.780 1.908 -7.063 1.00 0.00 C ATOM 209 CD2 PHE A 14 -6.624 2.534 -5.690 1.00 0.00 C ATOM 210 CE1 PHE A 14 -4.260 3.182 -6.951 1.00 0.00 C ATOM 211 CE2 PHE A 14 -6.109 3.811 -5.575 1.00 0.00 C ATOM 212 CZ PHE A 14 -4.925 4.135 -6.207 1.00 0.00 C ATOM 0 H PHE A 14 -7.518 -2.158 -7.558 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.242 0.621 -8.541 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.453 0.121 -5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.831 -0.527 -6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.255 1.167 -7.647 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.550 2.285 -5.193 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.333 3.433 -7.445 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.632 4.555 -4.992 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.520 5.132 -6.119 1.00 0.00 H new ATOM 222 N TYR A 15 -5.170 0.085 -9.743 1.00 0.00 N ATOM 223 CA TYR A 15 -3.951 -0.196 -10.487 1.00 0.00 C ATOM 224 C TYR A 15 -2.737 0.353 -9.749 1.00 0.00 C ATOM 225 O TYR A 15 -2.622 1.559 -9.532 1.00 0.00 O ATOM 226 CB TYR A 15 -4.033 0.415 -11.886 1.00 0.00 C ATOM 227 CG TYR A 15 -5.125 -0.180 -12.745 1.00 0.00 C ATOM 228 CD1 TYR A 15 -5.013 -1.468 -13.252 1.00 0.00 C ATOM 229 CD2 TYR A 15 -6.268 0.548 -13.048 1.00 0.00 C ATOM 230 CE1 TYR A 15 -6.011 -2.014 -14.038 1.00 0.00 C ATOM 231 CE2 TYR A 15 -7.270 0.009 -13.832 1.00 0.00 C ATOM 232 CZ TYR A 15 -7.136 -1.272 -14.324 1.00 0.00 C ATOM 233 OH TYR A 15 -8.132 -1.812 -15.106 1.00 0.00 O ATOM 0 H TYR A 15 -5.708 0.876 -10.097 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.844 -1.277 -10.578 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.199 1.488 -11.795 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.075 0.282 -12.388 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.133 -2.052 -13.029 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.376 1.552 -12.665 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.909 -3.017 -14.426 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.153 0.588 -14.058 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.911 -1.217 -15.100 1.00 0.00 H new ATOM 243 N VAL A 16 -1.835 -0.540 -9.362 1.00 0.00 N ATOM 244 CA VAL A 16 -0.630 -0.147 -8.642 1.00 0.00 C ATOM 245 C VAL A 16 0.314 0.670 -9.524 1.00 0.00 C ATOM 246 O VAL A 16 1.287 1.244 -9.034 1.00 0.00 O ATOM 247 CB VAL A 16 0.126 -1.375 -8.095 1.00 0.00 C ATOM 248 CG1 VAL A 16 -0.534 -1.886 -6.823 1.00 0.00 C ATOM 249 CG2 VAL A 16 0.199 -2.475 -9.143 1.00 0.00 C ATOM 0 H VAL A 16 -1.915 -1.542 -9.535 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.958 0.472 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 16 1.144 -1.070 -7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.013 -2.753 -6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.525 -1.100 -6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.564 -2.172 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.736 -3.331 -8.735 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.810 -2.779 -9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.723 -2.104 -10.024 1.00 0.00 H new ATOM 259 N LEU A 17 0.030 0.720 -10.824 1.00 0.00 N ATOM 260 CA LEU A 17 0.867 1.467 -11.758 1.00 0.00 C ATOM 261 C LEU A 17 0.100 2.620 -12.407 1.00 0.00 C ATOM 262 O LEU A 17 0.705 3.543 -12.953 1.00 0.00 O ATOM 263 CB LEU A 17 1.411 0.532 -12.840 1.00 0.00 C ATOM 264 CG LEU A 17 2.759 -0.116 -12.519 1.00 0.00 C ATOM 265 CD1 LEU A 17 3.846 0.942 -12.400 1.00 0.00 C ATOM 266 CD2 LEU A 17 2.664 -0.933 -11.240 1.00 0.00 C ATOM 0 H LEU A 17 -0.770 0.254 -11.252 1.00 0.00 H new ATOM 0 HA LEU A 17 1.696 1.892 -11.192 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.680 -0.256 -13.019 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.507 1.094 -13.769 1.00 0.00 H new ATOM 0 HG LEU A 17 3.023 -0.786 -13.337 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.798 0.462 -12.171 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.930 1.485 -13.342 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.590 1.638 -11.602 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.631 -1.387 -11.026 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.377 -0.283 -10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.915 -1.715 -11.363 1.00 0.00 H new ATOM 278 N LYS A 18 -1.229 2.564 -12.355 1.00 0.00 N ATOM 279 CA LYS A 18 -2.057 3.610 -12.951 1.00 0.00 C ATOM 280 C LYS A 18 -2.383 4.706 -11.940 1.00 0.00 C ATOM 281 O LYS A 18 -2.536 5.871 -12.306 1.00 0.00 O ATOM 282 CB LYS A 18 -3.350 3.013 -13.509 1.00 0.00 C ATOM 283 CG LYS A 18 -3.780 3.624 -14.833 1.00 0.00 C ATOM 284 CD LYS A 18 -4.575 2.635 -15.670 1.00 0.00 C ATOM 285 CE LYS A 18 -4.994 3.238 -17.002 1.00 0.00 C ATOM 286 NZ LYS A 18 -6.465 3.145 -17.216 1.00 0.00 N ATOM 0 H LYS A 18 -1.753 1.811 -11.909 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.488 4.058 -13.766 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.218 1.939 -13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.148 3.149 -12.779 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.384 4.512 -14.646 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.900 3.948 -15.389 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.975 1.742 -15.847 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.461 2.320 -15.118 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.687 4.283 -17.040 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.476 2.724 -17.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.710 3.567 -18.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.755 2.146 -17.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.959 3.657 -16.457 1.00 0.00 H new ATOM 300 N LEU A 19 -2.490 4.329 -10.668 1.00 0.00 N ATOM 301 CA LEU A 19 -2.799 5.286 -9.610 1.00 0.00 C ATOM 302 C LEU A 19 -4.233 5.794 -9.737 1.00 0.00 C ATOM 303 O LEU A 19 -4.490 6.994 -9.639 1.00 0.00 O ATOM 304 CB LEU A 19 -1.820 6.463 -9.651 1.00 0.00 C ATOM 305 CG LEU A 19 -0.363 6.084 -9.921 1.00 0.00 C ATOM 306 CD1 LEU A 19 0.467 7.326 -10.199 1.00 0.00 C ATOM 307 CD2 LEU A 19 0.211 5.306 -8.746 1.00 0.00 C ATOM 0 H LEU A 19 -2.367 3.369 -10.346 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.698 4.775 -8.653 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.147 7.161 -10.422 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.872 6.992 -8.699 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.329 5.445 -10.804 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.501 7.038 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.068 7.842 -11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.428 7.990 -9.336 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.248 5.044 -8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.166 5.920 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.369 4.396 -8.594 1.00 0.00 H new ATOM 319 N THR A 20 -5.164 4.870 -9.957 1.00 0.00 N ATOM 320 CA THR A 20 -6.572 5.221 -10.099 1.00 0.00 C ATOM 321 C THR A 20 -7.457 3.986 -9.952 1.00 0.00 C ATOM 322 O THR A 20 -7.314 3.018 -10.699 1.00 0.00 O ATOM 323 CB THR A 20 -6.817 5.878 -11.458 1.00 0.00 C ATOM 324 OG1 THR A 20 -6.013 7.035 -11.607 1.00 0.00 O ATOM 325 CG2 THR A 20 -8.257 6.289 -11.677 1.00 0.00 C ATOM 0 H THR A 20 -4.968 3.873 -10.041 1.00 0.00 H new ATOM 0 HA THR A 20 -6.829 5.926 -9.309 1.00 0.00 H new ATOM 0 HB THR A 20 -6.559 5.118 -12.195 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.708 7.337 -10.726 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.359 6.748 -12.660 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.899 5.410 -11.618 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.552 7.005 -10.910 1.00 0.00 H new ATOM 333 N VAL A 21 -8.371 4.024 -8.987 1.00 0.00 N ATOM 334 CA VAL A 21 -9.274 2.903 -8.753 1.00 0.00 C ATOM 335 C VAL A 21 -10.511 2.999 -9.641 1.00 0.00 C ATOM 336 O VAL A 21 -11.233 3.995 -9.612 1.00 0.00 O ATOM 337 CB VAL A 21 -9.711 2.822 -7.276 1.00 0.00 C ATOM 338 CG1 VAL A 21 -10.449 4.084 -6.858 1.00 0.00 C ATOM 339 CG2 VAL A 21 -10.568 1.586 -7.036 1.00 0.00 C ATOM 0 H VAL A 21 -8.505 4.815 -8.357 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.722 1.997 -9.003 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.815 2.739 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.747 4.002 -5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.794 4.946 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.336 4.209 -7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.866 1.548 -5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.457 1.632 -7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.995 0.692 -7.283 1.00 0.00 H new ATOM 349 N GLU A 22 -10.746 1.958 -10.433 1.00 0.00 N ATOM 350 CA GLU A 22 -11.894 1.926 -11.332 1.00 0.00 C ATOM 351 C GLU A 22 -13.179 1.633 -10.566 1.00 0.00 C ATOM 352 O GLU A 22 -13.574 0.477 -10.414 1.00 0.00 O ATOM 353 CB GLU A 22 -11.685 0.874 -12.423 1.00 0.00 C ATOM 354 CG GLU A 22 -12.260 1.274 -13.772 1.00 0.00 C ATOM 355 CD GLU A 22 -11.845 0.333 -14.885 1.00 0.00 C ATOM 356 OE1 GLU A 22 -10.626 0.176 -15.107 1.00 0.00 O ATOM 357 OE2 GLU A 22 -12.739 -0.248 -15.536 1.00 0.00 O ATOM 0 H GLU A 22 -10.157 1.126 -10.471 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.986 2.908 -11.796 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.617 0.685 -12.534 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.143 -0.063 -12.105 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.348 1.296 -13.707 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.935 2.285 -14.016 1.00 0.00 H new ATOM 364 N THR A 23 -13.828 2.688 -10.086 1.00 0.00 N ATOM 365 CA THR A 23 -15.071 2.545 -9.336 1.00 0.00 C ATOM 366 C THR A 23 -16.278 2.670 -10.264 1.00 0.00 C ATOM 367 O THR A 23 -16.246 3.425 -11.236 1.00 0.00 O ATOM 368 CB THR A 23 -15.150 3.599 -8.228 1.00 0.00 C ATOM 369 OG1 THR A 23 -13.893 4.223 -8.036 1.00 0.00 O ATOM 370 CG2 THR A 23 -15.588 3.034 -6.894 1.00 0.00 C ATOM 0 H THR A 23 -13.514 3.652 -10.203 1.00 0.00 H new ATOM 0 HA THR A 23 -15.083 1.554 -8.882 1.00 0.00 H new ATOM 0 HB THR A 23 -15.899 4.315 -8.566 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.933 5.147 -8.360 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.623 3.834 -6.154 1.00 0.00 H new ATOM 0 HG22 THR A 23 -16.578 2.589 -6.995 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.879 2.272 -6.571 1.00 0.00 H new ATOM 378 N PRO A 24 -17.363 1.930 -9.977 1.00 0.00 N ATOM 379 CA PRO A 24 -18.579 1.966 -10.792 1.00 0.00 C ATOM 380 C PRO A 24 -19.364 3.263 -10.616 1.00 0.00 C ATOM 381 O PRO A 24 -20.320 3.522 -11.347 1.00 0.00 O ATOM 382 CB PRO A 24 -19.384 0.777 -10.268 1.00 0.00 C ATOM 383 CG PRO A 24 -18.940 0.610 -8.860 1.00 0.00 C ATOM 384 CD PRO A 24 -17.490 1.002 -8.837 1.00 0.00 C ATOM 0 HA PRO A 24 -18.358 1.916 -11.858 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.456 0.969 -10.325 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.189 -0.122 -10.854 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.525 1.238 -8.189 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.072 -0.420 -8.528 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.220 1.483 -7.897 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.839 0.136 -8.951 1.00 0.00 H new ATOM 392 N GLU A 25 -18.958 4.077 -9.644 1.00 0.00 N ATOM 393 CA GLU A 25 -19.629 5.344 -9.380 1.00 0.00 C ATOM 394 C GLU A 25 -18.649 6.510 -9.473 1.00 0.00 C ATOM 395 O GLU A 25 -18.814 7.528 -8.799 1.00 0.00 O ATOM 396 CB GLU A 25 -20.283 5.320 -7.997 1.00 0.00 C ATOM 397 CG GLU A 25 -21.647 5.989 -7.958 1.00 0.00 C ATOM 398 CD GLU A 25 -22.609 5.298 -7.011 1.00 0.00 C ATOM 399 OE1 GLU A 25 -22.767 4.064 -7.121 1.00 0.00 O ATOM 400 OE2 GLU A 25 -23.204 5.991 -6.159 1.00 0.00 O ATOM 0 H GLU A 25 -18.169 3.881 -9.028 1.00 0.00 H new ATOM 0 HA GLU A 25 -20.401 5.482 -10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -20.386 4.285 -7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -19.624 5.815 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -21.529 7.029 -7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -22.073 5.996 -8.961 1.00 0.00 H new ATOM 407 N GLY A 26 -17.628 6.356 -10.311 1.00 0.00 N ATOM 408 CA GLY A 26 -16.638 7.405 -10.477 1.00 0.00 C ATOM 409 C GLY A 26 -15.242 6.955 -10.090 1.00 0.00 C ATOM 410 O GLY A 26 -15.043 6.374 -9.023 1.00 0.00 O ATOM 0 H GLY A 26 -17.469 5.523 -10.878 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.635 7.735 -11.516 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.920 8.265 -9.870 1.00 0.00 H new ATOM 414 N SER A 27 -14.273 7.226 -10.959 1.00 0.00 N ATOM 415 CA SER A 27 -12.888 6.846 -10.705 1.00 0.00 C ATOM 416 C SER A 27 -12.272 7.727 -9.622 1.00 0.00 C ATOM 417 O SER A 27 -12.863 8.725 -9.209 1.00 0.00 O ATOM 418 CB SER A 27 -12.065 6.946 -11.990 1.00 0.00 C ATOM 419 OG SER A 27 -12.356 8.142 -12.692 1.00 0.00 O ATOM 0 H SER A 27 -14.422 7.708 -11.846 1.00 0.00 H new ATOM 0 HA SER A 27 -12.879 5.813 -10.357 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.003 6.912 -11.748 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.275 6.087 -12.627 1.00 0.00 H new ATOM 0 HG SER A 27 -11.815 8.182 -13.508 1.00 0.00 H new ATOM 425 N VAL A 28 -11.082 7.350 -9.162 1.00 0.00 N ATOM 426 CA VAL A 28 -10.390 8.105 -8.123 1.00 0.00 C ATOM 427 C VAL A 28 -8.994 8.523 -8.577 1.00 0.00 C ATOM 428 O VAL A 28 -8.418 7.922 -9.484 1.00 0.00 O ATOM 429 CB VAL A 28 -10.273 7.285 -6.824 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.620 8.106 -5.722 1.00 0.00 C ATOM 431 CG2 VAL A 28 -11.641 6.784 -6.385 1.00 0.00 C ATOM 0 H VAL A 28 -10.578 6.527 -9.492 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.984 8.998 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.638 6.421 -7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.548 7.506 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.621 8.408 -6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.222 8.993 -5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.539 6.207 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.300 7.634 -6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.065 6.152 -7.165 1.00 0.00 H new ATOM 441 N HIS A 29 -8.456 9.556 -7.935 1.00 0.00 N ATOM 442 CA HIS A 29 -7.126 10.057 -8.264 1.00 0.00 C ATOM 443 C HIS A 29 -6.340 10.370 -6.994 1.00 0.00 C ATOM 444 O HIS A 29 -6.923 10.610 -5.937 1.00 0.00 O ATOM 445 CB HIS A 29 -7.229 11.308 -9.138 1.00 0.00 C ATOM 446 CG HIS A 29 -5.907 11.797 -9.641 1.00 0.00 C ATOM 447 ND1 HIS A 29 -5.153 11.109 -10.569 1.00 0.00 N ATOM 448 CD2 HIS A 29 -5.204 12.915 -9.343 1.00 0.00 C ATOM 449 CE1 HIS A 29 -4.043 11.782 -10.818 1.00 0.00 C ATOM 450 NE2 HIS A 29 -4.051 12.881 -10.088 1.00 0.00 N ATOM 0 H HIS A 29 -8.922 10.063 -7.183 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.597 9.282 -8.819 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.876 11.094 -9.989 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.707 12.103 -8.566 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.496 13.689 -8.649 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.263 11.483 -11.502 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.319 13.591 -10.079 1.00 0.00 H new ATOM 459 N LEU A 30 -5.015 10.360 -7.100 1.00 0.00 N ATOM 460 CA LEU A 30 -4.157 10.637 -5.952 1.00 0.00 C ATOM 461 C LEU A 30 -2.701 10.805 -6.378 1.00 0.00 C ATOM 462 O LEU A 30 -2.322 10.428 -7.487 1.00 0.00 O ATOM 463 CB LEU A 30 -4.270 9.503 -4.930 1.00 0.00 C ATOM 464 CG LEU A 30 -4.477 8.109 -5.530 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.396 7.803 -6.556 1.00 0.00 C ATOM 466 CD2 LEU A 30 -4.494 7.052 -4.435 1.00 0.00 C ATOM 0 H LEU A 30 -4.513 10.164 -7.966 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.490 11.571 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.365 9.490 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.101 9.720 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.443 8.092 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.560 6.809 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.435 8.542 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.418 7.839 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.642 6.068 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.545 7.068 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.307 7.261 -3.740 1.00 0.00 H new ATOM 478 N THR A 31 -1.887 11.364 -5.486 1.00 0.00 N ATOM 479 CA THR A 31 -0.471 11.569 -5.769 1.00 0.00 C ATOM 480 C THR A 31 0.271 10.233 -5.743 1.00 0.00 C ATOM 481 O THR A 31 -0.009 9.379 -4.904 1.00 0.00 O ATOM 482 CB THR A 31 0.144 12.534 -4.754 1.00 0.00 C ATOM 483 OG1 THR A 31 0.154 11.961 -3.460 1.00 0.00 O ATOM 484 CG2 THR A 31 -0.588 13.856 -4.664 1.00 0.00 C ATOM 0 H THR A 31 -2.184 11.682 -4.563 1.00 0.00 H new ATOM 0 HA THR A 31 -0.376 12.005 -6.763 1.00 0.00 H new ATOM 0 HB THR A 31 1.157 12.721 -5.112 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.553 12.593 -2.826 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.100 14.493 -3.926 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.571 14.348 -5.636 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.621 13.680 -4.365 1.00 0.00 H new ATOM 492 N PRO A 32 1.220 10.027 -6.673 1.00 0.00 N ATOM 493 CA PRO A 32 1.981 8.775 -6.755 1.00 0.00 C ATOM 494 C PRO A 32 2.949 8.575 -5.597 1.00 0.00 C ATOM 495 O PRO A 32 3.412 7.460 -5.354 1.00 0.00 O ATOM 496 CB PRO A 32 2.748 8.910 -8.072 1.00 0.00 C ATOM 497 CG PRO A 32 2.865 10.378 -8.295 1.00 0.00 C ATOM 498 CD PRO A 32 1.613 10.984 -7.724 1.00 0.00 C ATOM 0 HA PRO A 32 1.320 7.909 -6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.729 8.440 -8.008 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.216 8.427 -8.891 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.752 10.778 -7.803 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.960 10.605 -9.357 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.798 11.977 -7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.836 11.091 -8.481 1.00 0.00 H new ATOM 506 N SER A 33 3.257 9.647 -4.884 1.00 0.00 N ATOM 507 CA SER A 33 4.175 9.557 -3.756 1.00 0.00 C ATOM 508 C SER A 33 3.458 9.055 -2.520 1.00 0.00 C ATOM 509 O SER A 33 4.013 8.286 -1.737 1.00 0.00 O ATOM 510 CB SER A 33 4.834 10.909 -3.481 1.00 0.00 C ATOM 511 OG SER A 33 5.750 10.821 -2.404 1.00 0.00 O ATOM 0 H SER A 33 2.890 10.582 -5.063 1.00 0.00 H new ATOM 0 HA SER A 33 4.957 8.843 -4.014 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.352 11.253 -4.376 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.068 11.650 -3.251 1.00 0.00 H new ATOM 0 HG SER A 33 6.159 11.698 -2.250 1.00 0.00 H new ATOM 517 N GLU A 34 2.215 9.467 -2.365 1.00 0.00 N ATOM 518 CA GLU A 34 1.416 9.025 -1.239 1.00 0.00 C ATOM 519 C GLU A 34 0.677 7.761 -1.624 1.00 0.00 C ATOM 520 O GLU A 34 0.505 6.851 -0.815 1.00 0.00 O ATOM 521 CB GLU A 34 0.445 10.121 -0.791 1.00 0.00 C ATOM 522 CG GLU A 34 0.921 10.901 0.427 1.00 0.00 C ATOM 523 CD GLU A 34 1.482 10.007 1.518 1.00 0.00 C ATOM 524 OE1 GLU A 34 0.689 9.488 2.330 1.00 0.00 O ATOM 525 OE2 GLU A 34 2.717 9.823 1.556 1.00 0.00 O ATOM 0 H GLU A 34 1.738 10.105 -3.002 1.00 0.00 H new ATOM 0 HA GLU A 34 2.070 8.812 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.288 10.815 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.521 9.669 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.686 11.614 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.089 11.479 0.830 1.00 0.00 H new ATOM 532 N SER A 35 0.295 7.685 -2.888 1.00 0.00 N ATOM 533 CA SER A 35 -0.363 6.501 -3.395 1.00 0.00 C ATOM 534 C SER A 35 0.689 5.421 -3.612 1.00 0.00 C ATOM 535 O SER A 35 0.375 4.233 -3.689 1.00 0.00 O ATOM 536 CB SER A 35 -1.112 6.803 -4.695 1.00 0.00 C ATOM 537 OG SER A 35 -0.263 6.670 -5.822 1.00 0.00 O ATOM 0 H SER A 35 0.430 8.426 -3.575 1.00 0.00 H new ATOM 0 HA SER A 35 -1.102 6.155 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.960 6.126 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.515 7.815 -4.658 1.00 0.00 H new ATOM 0 HG SER A 35 -0.498 7.348 -6.490 1.00 0.00 H new ATOM 543 N GLY A 36 1.955 5.850 -3.682 1.00 0.00 N ATOM 544 CA GLY A 36 3.046 4.919 -3.856 1.00 0.00 C ATOM 545 C GLY A 36 3.231 4.050 -2.634 1.00 0.00 C ATOM 546 O GLY A 36 3.686 2.911 -2.732 1.00 0.00 O ATOM 0 H GLY A 36 2.235 6.829 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.854 4.290 -4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.966 5.468 -4.056 1.00 0.00 H new ATOM 550 N ILE A 37 2.863 4.591 -1.476 1.00 0.00 N ATOM 551 CA ILE A 37 2.977 3.852 -0.223 1.00 0.00 C ATOM 552 C ILE A 37 1.996 2.695 -0.210 1.00 0.00 C ATOM 553 O ILE A 37 2.328 1.582 0.201 1.00 0.00 O ATOM 554 CB ILE A 37 2.719 4.744 1.014 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.166 6.189 0.763 1.00 0.00 C ATOM 556 CG2 ILE A 37 3.432 4.173 2.230 1.00 0.00 C ATOM 557 CD1 ILE A 37 4.514 6.305 0.087 1.00 0.00 C ATOM 0 H ILE A 37 2.485 5.534 -1.379 1.00 0.00 H new ATOM 0 HA ILE A 37 4.001 3.484 -0.165 1.00 0.00 H new ATOM 0 HB ILE A 37 1.646 4.755 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.418 6.689 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.201 6.719 1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.243 4.809 3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.061 3.168 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.504 4.132 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.760 7.357 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.275 5.836 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.480 5.806 -0.881 1.00 0.00 H new ATOM 569 N LEU A 38 0.794 2.965 -0.688 1.00 0.00 N ATOM 570 CA LEU A 38 -0.246 1.949 -0.764 1.00 0.00 C ATOM 571 C LEU A 38 0.164 0.862 -1.752 1.00 0.00 C ATOM 572 O LEU A 38 -0.363 -0.250 -1.726 1.00 0.00 O ATOM 573 CB LEU A 38 -1.579 2.581 -1.184 1.00 0.00 C ATOM 574 CG LEU A 38 -2.662 1.593 -1.635 1.00 0.00 C ATOM 575 CD1 LEU A 38 -4.004 1.946 -1.013 1.00 0.00 C ATOM 576 CD2 LEU A 38 -2.768 1.575 -3.154 1.00 0.00 C ATOM 0 H LEU A 38 0.511 3.883 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.375 1.499 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.966 3.161 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.389 3.282 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.378 0.597 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.758 1.233 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.923 1.908 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.294 2.951 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.541 0.869 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.026 2.571 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.812 1.272 -3.582 1.00 0.00 H new ATOM 588 N LYS A 39 1.117 1.195 -2.619 1.00 0.00 N ATOM 589 CA LYS A 39 1.612 0.255 -3.612 1.00 0.00 C ATOM 590 C LYS A 39 2.503 -0.787 -2.963 1.00 0.00 C ATOM 591 O LYS A 39 2.310 -1.987 -3.147 1.00 0.00 O ATOM 592 CB LYS A 39 2.379 0.998 -4.711 1.00 0.00 C ATOM 593 CG LYS A 39 1.697 0.952 -6.067 1.00 0.00 C ATOM 594 CD LYS A 39 0.629 2.025 -6.187 1.00 0.00 C ATOM 595 CE LYS A 39 -0.551 1.739 -5.273 1.00 0.00 C ATOM 596 NZ LYS A 39 -1.830 2.250 -5.839 1.00 0.00 N ATOM 0 H LYS A 39 1.561 2.113 -2.651 1.00 0.00 H new ATOM 0 HA LYS A 39 0.758 -0.252 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.507 2.039 -4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.376 0.568 -4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.439 1.086 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.247 -0.030 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.057 2.996 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.285 2.084 -7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.631 0.664 -5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.376 2.198 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.124 3.102 -5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.696 2.486 -6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.565 1.520 -5.750 1.00 0.00 H new ATOM 610 N ARG A 40 3.473 -0.317 -2.198 1.00 0.00 N ATOM 611 CA ARG A 40 4.399 -1.207 -1.510 1.00 0.00 C ATOM 612 C ARG A 40 3.683 -2.014 -0.434 1.00 0.00 C ATOM 613 O ARG A 40 4.158 -3.071 -0.019 1.00 0.00 O ATOM 614 CB ARG A 40 5.549 -0.407 -0.894 1.00 0.00 C ATOM 615 CG ARG A 40 6.882 -0.621 -1.591 1.00 0.00 C ATOM 616 CD ARG A 40 8.004 0.132 -0.893 1.00 0.00 C ATOM 617 NE ARG A 40 8.487 1.257 -1.690 1.00 0.00 N ATOM 618 CZ ARG A 40 9.332 1.134 -2.711 1.00 0.00 C ATOM 619 NH1 ARG A 40 9.788 -0.062 -3.064 1.00 0.00 N ATOM 620 NH2 ARG A 40 9.722 2.209 -3.382 1.00 0.00 N ATOM 0 H ARG A 40 3.642 0.676 -2.036 1.00 0.00 H new ATOM 0 HA ARG A 40 4.807 -1.903 -2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.299 0.654 -0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.650 -0.681 0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.115 -1.685 -1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.809 -0.289 -2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.651 0.496 0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.829 -0.551 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 40 8.157 2.192 -1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.491 -0.893 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.435 -0.150 -3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.374 3.130 -3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.370 2.115 -4.164 1.00 0.00 H new ATOM 634 N LEU A 41 2.537 -1.515 0.011 1.00 0.00 N ATOM 635 CA LEU A 41 1.758 -2.198 1.033 1.00 0.00 C ATOM 636 C LEU A 41 0.878 -3.275 0.414 1.00 0.00 C ATOM 637 O LEU A 41 0.474 -4.223 1.088 1.00 0.00 O ATOM 638 CB LEU A 41 0.902 -1.196 1.813 1.00 0.00 C ATOM 639 CG LEU A 41 1.402 -0.878 3.223 1.00 0.00 C ATOM 640 CD1 LEU A 41 2.447 0.226 3.185 1.00 0.00 C ATOM 641 CD2 LEU A 41 0.242 -0.484 4.123 1.00 0.00 C ATOM 0 H LEU A 41 2.128 -0.641 -0.320 1.00 0.00 H new ATOM 0 HA LEU A 41 2.451 -2.678 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.848 -0.267 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.113 -1.586 1.883 1.00 0.00 H new ATOM 0 HG LEU A 41 1.867 -1.775 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.790 0.437 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.292 -0.094 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.009 1.127 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.616 -0.261 5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.252 0.398 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.472 -1.306 4.178 1.00 0.00 H new ATOM 653 N LEU A 42 0.589 -3.132 -0.874 1.00 0.00 N ATOM 654 CA LEU A 42 -0.236 -4.104 -1.574 1.00 0.00 C ATOM 655 C LEU A 42 0.590 -5.322 -1.969 1.00 0.00 C ATOM 656 O LEU A 42 0.065 -6.428 -2.087 1.00 0.00 O ATOM 657 CB LEU A 42 -0.890 -3.473 -2.806 1.00 0.00 C ATOM 658 CG LEU A 42 -2.405 -3.677 -2.910 1.00 0.00 C ATOM 659 CD1 LEU A 42 -2.750 -5.159 -2.893 1.00 0.00 C ATOM 660 CD2 LEU A 42 -3.124 -2.954 -1.781 1.00 0.00 C ATOM 0 H LEU A 42 0.913 -2.356 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.027 -4.430 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.682 -2.403 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.421 -3.885 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.739 -3.255 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.830 -5.282 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.269 -5.654 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.398 -5.604 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.198 -3.112 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.781 -3.344 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.908 -1.887 -1.836 1.00 0.00 H new ATOM 672 N ILE A 43 1.890 -5.119 -2.158 1.00 0.00 N ATOM 673 CA ILE A 43 2.777 -6.217 -2.523 1.00 0.00 C ATOM 674 C ILE A 43 3.049 -7.117 -1.320 1.00 0.00 C ATOM 675 O ILE A 43 3.398 -8.287 -1.477 1.00 0.00 O ATOM 676 CB ILE A 43 4.120 -5.721 -3.099 1.00 0.00 C ATOM 677 CG1 ILE A 43 3.893 -4.571 -4.082 1.00 0.00 C ATOM 678 CG2 ILE A 43 4.849 -6.866 -3.787 1.00 0.00 C ATOM 679 CD1 ILE A 43 3.099 -4.970 -5.308 1.00 0.00 C ATOM 0 H ILE A 43 2.349 -4.213 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 43 2.263 -6.783 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 43 4.735 -5.354 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.372 -3.763 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.859 -4.177 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.795 -6.505 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.041 -7.661 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.233 -7.254 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.977 -4.105 -5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.629 -5.757 -5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.118 -5.336 -5.003 1.00 0.00 H new ATOM 691 N ASN A 44 2.879 -6.568 -0.118 1.00 0.00 N ATOM 692 CA ASN A 44 3.100 -7.331 1.105 1.00 0.00 C ATOM 693 C ASN A 44 1.779 -7.830 1.682 1.00 0.00 C ATOM 694 O ASN A 44 1.736 -8.856 2.360 1.00 0.00 O ATOM 695 CB ASN A 44 3.834 -6.476 2.140 1.00 0.00 C ATOM 696 CG ASN A 44 5.285 -6.241 1.771 1.00 0.00 C ATOM 697 OD1 ASN A 44 5.664 -6.333 0.604 1.00 0.00 O ATOM 698 ND2 ASN A 44 6.107 -5.935 2.769 1.00 0.00 N ATOM 0 H ASN A 44 2.590 -5.601 0.033 1.00 0.00 H new ATOM 0 HA ASN A 44 3.716 -8.196 0.858 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.327 -5.516 2.240 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.784 -6.965 3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.095 -5.766 2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.750 -5.869 3.722 1.00 0.00 H new ATOM 705 N LYS A 45 0.709 -7.090 1.401 1.00 0.00 N ATOM 706 CA LYS A 45 -0.639 -7.425 1.874 1.00 0.00 C ATOM 707 C LYS A 45 -0.620 -8.070 3.261 1.00 0.00 C ATOM 708 O LYS A 45 -0.900 -9.259 3.411 1.00 0.00 O ATOM 709 CB LYS A 45 -1.344 -8.346 0.874 1.00 0.00 C ATOM 710 CG LYS A 45 -0.647 -9.679 0.662 1.00 0.00 C ATOM 711 CD LYS A 45 0.131 -9.702 -0.644 1.00 0.00 C ATOM 712 CE LYS A 45 -0.799 -9.692 -1.847 1.00 0.00 C ATOM 713 NZ LYS A 45 -0.381 -10.681 -2.879 1.00 0.00 N ATOM 0 H LYS A 45 0.748 -6.240 0.839 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.193 -6.490 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.361 -8.531 1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.422 -7.832 -0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.031 -9.872 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.386 -10.480 0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.795 -8.838 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.761 -10.591 -0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.816 -9.914 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.815 -8.694 -2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.040 -10.644 -3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.579 -10.455 -3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.390 -11.636 -2.468 1.00 0.00 H new ATOM 727 N GLY A 46 -0.291 -7.269 4.269 1.00 0.00 N ATOM 728 CA GLY A 46 -0.244 -7.763 5.633 1.00 0.00 C ATOM 729 C GLY A 46 1.139 -8.241 6.030 1.00 0.00 C ATOM 730 O GLY A 46 1.504 -9.389 5.776 1.00 0.00 O ATOM 0 H GLY A 46 -0.055 -6.282 4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.561 -6.973 6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.954 -8.583 5.744 1.00 0.00 H new ATOM 734 N GLN A 47 1.910 -7.357 6.656 1.00 0.00 N ATOM 735 CA GLN A 47 3.261 -7.692 7.091 1.00 0.00 C ATOM 736 C GLN A 47 3.665 -6.858 8.304 1.00 0.00 C ATOM 737 O GLN A 47 2.972 -5.912 8.678 1.00 0.00 O ATOM 738 CB GLN A 47 4.255 -7.474 5.948 1.00 0.00 C ATOM 739 CG GLN A 47 4.878 -8.760 5.431 1.00 0.00 C ATOM 740 CD GLN A 47 6.083 -9.191 6.243 1.00 0.00 C ATOM 741 OE1 GLN A 47 6.012 -9.308 7.466 1.00 0.00 O ATOM 742 NE2 GLN A 47 7.199 -9.429 5.564 1.00 0.00 N ATOM 0 H GLN A 47 1.622 -6.403 6.873 1.00 0.00 H new ATOM 0 HA GLN A 47 3.275 -8.743 7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.746 -6.970 5.126 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.047 -6.807 6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.131 -9.553 5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.175 -8.623 4.391 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.212 -9.319 4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.043 -9.722 6.056 1.00 0.00 H new ATOM 751 N LEU A 48 4.790 -7.217 8.914 1.00 0.00 N ATOM 752 CA LEU A 48 5.288 -6.503 10.084 1.00 0.00 C ATOM 753 C LEU A 48 6.370 -5.501 9.691 1.00 0.00 C ATOM 754 O LEU A 48 7.527 -5.871 9.492 1.00 0.00 O ATOM 755 CB LEU A 48 5.839 -7.493 11.114 1.00 0.00 C ATOM 756 CG LEU A 48 4.994 -7.649 12.379 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.980 -8.770 12.207 1.00 0.00 C ATOM 758 CD2 LEU A 48 5.883 -7.908 13.589 1.00 0.00 C ATOM 0 H LEU A 48 5.374 -7.999 8.617 1.00 0.00 H new ATOM 0 HA LEU A 48 4.456 -5.955 10.527 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.939 -8.469 10.640 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.841 -7.174 11.402 1.00 0.00 H new ATOM 0 HG LEU A 48 4.451 -6.719 12.548 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.387 -8.867 13.117 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.323 -8.541 11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.503 -9.707 12.013 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.263 -8.016 14.479 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.455 -8.823 13.431 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.568 -7.071 13.723 1.00 0.00 H new ATOM 770 N CYS A 49 5.987 -4.233 9.583 1.00 0.00 N ATOM 771 CA CYS A 49 6.928 -3.182 9.214 1.00 0.00 C ATOM 772 C CYS A 49 6.502 -1.836 9.793 1.00 0.00 C ATOM 773 O CYS A 49 6.007 -0.971 9.069 1.00 0.00 O ATOM 774 CB CYS A 49 7.041 -3.082 7.691 1.00 0.00 C ATOM 775 SG CYS A 49 7.760 -4.544 6.905 1.00 0.00 S ATOM 0 H CYS A 49 5.034 -3.909 9.745 1.00 0.00 H new ATOM 0 HA CYS A 49 7.902 -3.441 9.629 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.048 -2.910 7.274 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.648 -2.212 7.439 1.00 0.00 H new ATOM 0 HG CYS A 49 7.977 -5.457 7.804 1.00 0.00 H new ATOM 781 N LEU A 50 6.698 -1.671 11.103 1.00 0.00 N ATOM 782 CA LEU A 50 6.338 -0.433 11.801 1.00 0.00 C ATOM 783 C LEU A 50 6.695 0.802 10.975 1.00 0.00 C ATOM 784 O LEU A 50 7.431 0.715 9.993 1.00 0.00 O ATOM 785 CB LEU A 50 7.014 -0.352 13.181 1.00 0.00 C ATOM 786 CG LEU A 50 8.372 -1.056 13.329 1.00 0.00 C ATOM 787 CD1 LEU A 50 8.184 -2.521 13.697 1.00 0.00 C ATOM 788 CD2 LEU A 50 9.206 -0.920 12.062 1.00 0.00 C ATOM 0 H LEU A 50 7.107 -2.385 11.706 1.00 0.00 H new ATOM 0 HA LEU A 50 5.257 -0.452 11.942 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.147 0.700 13.433 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.331 -0.772 13.919 1.00 0.00 H new ATOM 0 HG LEU A 50 8.914 -0.567 14.138 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.158 -2.999 13.796 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.647 -2.593 14.643 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.612 -3.022 12.916 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.161 -1.428 12.198 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.672 -1.369 11.225 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.383 0.135 11.855 1.00 0.00 H new ATOM 800 N ARG A 51 6.155 1.949 11.378 1.00 0.00 N ATOM 801 CA ARG A 51 6.395 3.210 10.676 1.00 0.00 C ATOM 802 C ARG A 51 7.855 3.373 10.272 1.00 0.00 C ATOM 803 O ARG A 51 8.158 3.721 9.132 1.00 0.00 O ATOM 804 CB ARG A 51 5.959 4.396 11.542 1.00 0.00 C ATOM 805 CG ARG A 51 6.223 4.201 13.028 1.00 0.00 C ATOM 806 CD ARG A 51 6.934 5.402 13.632 1.00 0.00 C ATOM 807 NE ARG A 51 6.666 5.534 15.062 1.00 0.00 N ATOM 808 CZ ARG A 51 5.503 5.945 15.564 1.00 0.00 C ATOM 809 NH1 ARG A 51 4.498 6.261 14.756 1.00 0.00 N ATOM 810 NH2 ARG A 51 5.344 6.039 16.877 1.00 0.00 N ATOM 0 H ARG A 51 5.545 2.033 12.191 1.00 0.00 H new ATOM 0 HA ARG A 51 5.799 3.187 9.764 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.480 5.292 11.204 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.894 4.572 11.392 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.279 4.037 13.548 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.828 3.307 13.176 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.008 5.306 13.472 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.615 6.309 13.118 1.00 0.00 H new ATOM 0 HE ARG A 51 7.414 5.297 15.714 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.614 6.190 13.745 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.609 6.575 15.146 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.112 5.797 17.502 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.453 6.354 17.262 1.00 0.00 H new ATOM 824 N LYS A 52 8.748 3.128 11.215 1.00 0.00 N ATOM 825 CA LYS A 52 10.184 3.254 10.967 1.00 0.00 C ATOM 826 C LYS A 52 10.628 2.394 9.797 1.00 0.00 C ATOM 827 O LYS A 52 11.658 2.655 9.175 1.00 0.00 O ATOM 828 CB LYS A 52 10.980 2.890 12.222 1.00 0.00 C ATOM 829 CG LYS A 52 12.383 3.474 12.242 1.00 0.00 C ATOM 830 CD LYS A 52 12.839 3.782 13.659 1.00 0.00 C ATOM 831 CE LYS A 52 14.355 3.792 13.768 1.00 0.00 C ATOM 832 NZ LYS A 52 14.829 3.077 14.985 1.00 0.00 N ATOM 0 H LYS A 52 8.509 2.840 12.164 1.00 0.00 H new ATOM 0 HA LYS A 52 10.382 4.295 10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.437 3.239 13.100 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.046 1.805 12.299 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.077 2.772 11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.407 4.386 11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.445 4.751 13.966 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.429 3.039 14.344 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.786 3.325 12.882 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.711 4.822 13.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.868 3.106 15.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.439 3.537 15.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.512 2.087 14.952 1.00 0.00 H new ATOM 846 N HIS A 53 9.844 1.381 9.494 1.00 0.00 N ATOM 847 CA HIS A 53 10.146 0.494 8.391 1.00 0.00 C ATOM 848 C HIS A 53 9.516 1.018 7.114 1.00 0.00 C ATOM 849 O HIS A 53 10.060 0.859 6.021 1.00 0.00 O ATOM 850 CB HIS A 53 9.620 -0.892 8.704 1.00 0.00 C ATOM 851 CG HIS A 53 10.162 -1.964 7.810 1.00 0.00 C ATOM 852 ND1 HIS A 53 9.973 -2.195 6.489 1.00 0.00 N flip ATOM 853 CD2 HIS A 53 11.009 -2.958 8.253 1.00 0.00 C flip ATOM 854 CE1 HIS A 53 10.703 -3.311 6.163 1.00 0.00 C flip ATOM 855 NE2 HIS A 53 11.319 -3.752 7.244 1.00 0.00 N flip ATOM 0 H HIS A 53 8.988 1.151 9.999 1.00 0.00 H new ATOM 0 HA HIS A 53 11.226 0.446 8.250 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.864 -1.137 9.738 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.533 -0.883 8.626 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.364 -3.070 9.267 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.764 -3.756 5.181 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.930 -4.567 7.292 1.00 0.00 H new ATOM 864 N LEU A 54 8.366 1.655 7.270 1.00 0.00 N ATOM 865 CA LEU A 54 7.650 2.223 6.142 1.00 0.00 C ATOM 866 C LEU A 54 8.394 3.433 5.608 1.00 0.00 C ATOM 867 O LEU A 54 8.425 3.675 4.403 1.00 0.00 O ATOM 868 CB LEU A 54 6.225 2.608 6.549 1.00 0.00 C ATOM 869 CG LEU A 54 5.117 1.812 5.853 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.156 1.225 6.876 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.371 2.691 4.859 1.00 0.00 C ATOM 0 H LEU A 54 7.908 1.791 8.171 1.00 0.00 H new ATOM 0 HA LEU A 54 7.590 1.473 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.123 2.478 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.077 3.667 6.340 1.00 0.00 H new ATOM 0 HG LEU A 54 5.577 0.990 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.376 0.663 6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.700 0.560 7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.702 2.031 7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.588 2.108 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.923 3.535 5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.067 3.060 4.106 1.00 0.00 H new ATOM 883 N LEU A 55 9.005 4.182 6.516 1.00 0.00 N ATOM 884 CA LEU A 55 9.766 5.367 6.130 1.00 0.00 C ATOM 885 C LEU A 55 11.075 4.977 5.451 1.00 0.00 C ATOM 886 O LEU A 55 11.708 5.798 4.788 1.00 0.00 O ATOM 887 CB LEU A 55 10.053 6.260 7.342 1.00 0.00 C ATOM 888 CG LEU A 55 10.450 5.529 8.627 1.00 0.00 C ATOM 889 CD1 LEU A 55 11.958 5.523 8.804 1.00 0.00 C ATOM 890 CD2 LEU A 55 9.763 6.164 9.827 1.00 0.00 C ATOM 0 H LEU A 55 8.990 3.994 7.518 1.00 0.00 H new ATOM 0 HA LEU A 55 9.157 5.929 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.852 6.953 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.166 6.860 7.546 1.00 0.00 H new ATOM 0 HG LEU A 55 10.122 4.492 8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.214 4.998 9.724 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.422 5.018 7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.322 6.549 8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.054 5.635 10.735 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.061 7.210 9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.682 6.103 9.702 1.00 0.00 H new ATOM 902 N GLU A 56 11.477 3.720 5.616 1.00 0.00 N ATOM 903 CA GLU A 56 12.708 3.229 5.013 1.00 0.00 C ATOM 904 C GLU A 56 12.464 2.738 3.588 1.00 0.00 C ATOM 905 O GLU A 56 13.399 2.616 2.797 1.00 0.00 O ATOM 906 CB GLU A 56 13.304 2.102 5.860 1.00 0.00 C ATOM 907 CG GLU A 56 14.351 2.579 6.855 1.00 0.00 C ATOM 908 CD GLU A 56 15.753 2.136 6.484 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.966 0.917 6.315 1.00 0.00 O ATOM 910 OE2 GLU A 56 16.639 3.008 6.364 1.00 0.00 O ATOM 0 H GLU A 56 10.968 3.025 6.162 1.00 0.00 H new ATOM 0 HA GLU A 56 13.416 4.057 4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.501 1.602 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.753 1.360 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.322 3.667 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.104 2.199 7.846 1.00 0.00 H new ATOM 917 N GLU A 57 11.204 2.460 3.262 1.00 0.00 N ATOM 918 CA GLU A 57 10.853 1.985 1.927 1.00 0.00 C ATOM 919 C GLU A 57 10.530 3.146 1.000 1.00 0.00 C ATOM 920 O GLU A 57 10.654 3.033 -0.219 1.00 0.00 O ATOM 921 CB GLU A 57 9.675 1.012 1.990 1.00 0.00 C ATOM 922 CG GLU A 57 9.862 -0.106 3.002 1.00 0.00 C ATOM 923 CD GLU A 57 10.708 -1.244 2.464 1.00 0.00 C ATOM 924 OE1 GLU A 57 11.950 -1.112 2.465 1.00 0.00 O ATOM 925 OE2 GLU A 57 10.129 -2.266 2.041 1.00 0.00 O ATOM 0 H GLU A 57 10.414 2.555 3.900 1.00 0.00 H new ATOM 0 HA GLU A 57 11.718 1.458 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.770 1.566 2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.522 0.575 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.330 0.297 3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.886 -0.492 3.297 1.00 0.00 H new ATOM 932 N ILE A 58 10.148 4.271 1.583 1.00 0.00 N ATOM 933 CA ILE A 58 9.850 5.455 0.795 1.00 0.00 C ATOM 934 C ILE A 58 11.091 6.335 0.719 1.00 0.00 C ATOM 935 O ILE A 58 11.210 7.190 -0.158 1.00 0.00 O ATOM 936 CB ILE A 58 8.654 6.269 1.348 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.917 5.487 2.449 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.707 6.623 0.208 1.00 0.00 C ATOM 939 CD1 ILE A 58 6.479 5.922 2.671 1.00 0.00 C ATOM 0 H ILE A 58 10.038 4.389 2.590 1.00 0.00 H new ATOM 0 HA ILE A 58 9.560 5.117 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 58 9.031 7.189 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.928 4.427 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.466 5.596 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.866 7.196 0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.238 7.219 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.339 5.708 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.035 5.320 3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.457 6.973 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.911 5.786 1.750 1.00 0.00 H new ATOM 951 N LYS A 59 12.030 6.090 1.632 1.00 0.00 N ATOM 952 CA LYS A 59 13.283 6.824 1.659 1.00 0.00 C ATOM 953 C LYS A 59 14.221 6.272 0.592 1.00 0.00 C ATOM 954 O LYS A 59 15.056 6.997 0.050 1.00 0.00 O ATOM 955 CB LYS A 59 13.934 6.722 3.040 1.00 0.00 C ATOM 956 CG LYS A 59 13.667 7.925 3.930 1.00 0.00 C ATOM 957 CD LYS A 59 14.669 8.010 5.071 1.00 0.00 C ATOM 958 CE LYS A 59 13.974 8.091 6.422 1.00 0.00 C ATOM 959 NZ LYS A 59 13.475 9.464 6.708 1.00 0.00 N ATOM 0 H LYS A 59 11.941 5.385 2.363 1.00 0.00 H new ATOM 0 HA LYS A 59 13.083 7.875 1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.569 5.824 3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.011 6.604 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.715 8.837 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.657 7.861 4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.322 7.137 5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.303 8.886 4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.140 7.390 6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.667 7.786 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.008 9.477 7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.274 10.130 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.794 9.746 5.974 1.00 0.00 H new ATOM 973 N ASN A 60 14.066 4.982 0.283 1.00 0.00 N ATOM 974 CA ASN A 60 14.885 4.338 -0.729 1.00 0.00 C ATOM 975 C ASN A 60 14.195 4.404 -2.090 1.00 0.00 C ATOM 976 O ASN A 60 14.296 3.480 -2.898 1.00 0.00 O ATOM 977 CB ASN A 60 15.164 2.882 -0.344 1.00 0.00 C ATOM 978 CG ASN A 60 16.567 2.686 0.196 1.00 0.00 C ATOM 979 OD1 ASN A 60 17.502 2.412 -0.557 1.00 0.00 O ATOM 980 ND2 ASN A 60 16.722 2.826 1.507 1.00 0.00 N ATOM 0 H ASN A 60 13.379 4.369 0.723 1.00 0.00 H new ATOM 0 HA ASN A 60 15.836 4.867 -0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.441 2.562 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.021 2.244 -1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.644 2.706 1.927 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.919 3.054 2.094 1.00 0.00 H new ATOM 987 N HIS A 61 13.488 5.505 -2.331 1.00 0.00 N ATOM 988 CA HIS A 61 12.772 5.706 -3.581 1.00 0.00 C ATOM 989 C HIS A 61 12.406 7.178 -3.757 1.00 0.00 C ATOM 990 O HIS A 61 12.582 7.749 -4.834 1.00 0.00 O ATOM 991 CB HIS A 61 11.508 4.845 -3.609 1.00 0.00 C ATOM 992 CG HIS A 61 10.939 4.661 -4.982 1.00 0.00 C ATOM 993 ND1 HIS A 61 11.563 3.920 -5.963 1.00 0.00 N ATOM 994 CD2 HIS A 61 9.793 5.126 -5.535 1.00 0.00 C ATOM 995 CE1 HIS A 61 10.827 3.938 -7.061 1.00 0.00 C ATOM 996 NE2 HIS A 61 9.748 4.662 -6.827 1.00 0.00 N ATOM 0 H HIS A 61 13.397 6.276 -1.669 1.00 0.00 H new ATOM 0 HA HIS A 61 13.422 5.408 -4.404 1.00 0.00 H new ATOM 0 HB2 HIS A 61 11.735 3.867 -3.185 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.753 5.302 -2.970 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.053 5.746 -5.050 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.067 3.444 -7.991 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.002 4.847 -7.497 1.00 0.00 H new ATOM 1005 N ALA A 62 11.899 7.783 -2.687 1.00 0.00 N ATOM 1006 CA ALA A 62 11.509 9.189 -2.708 1.00 0.00 C ATOM 1007 C ALA A 62 11.033 9.638 -1.332 1.00 0.00 C ATOM 1008 O ALA A 62 9.942 9.274 -0.894 1.00 0.00 O ATOM 1009 CB ALA A 62 10.420 9.427 -3.744 1.00 0.00 C ATOM 0 H ALA A 62 11.748 7.319 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 62 12.384 9.779 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 62 10.143 10.481 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.790 9.148 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.547 8.822 -3.500 1.00 0.00 H new ATOM 1015 N LYS A 63 11.856 10.430 -0.652 1.00 0.00 N ATOM 1016 CA LYS A 63 11.513 10.925 0.677 1.00 0.00 C ATOM 1017 C LYS A 63 10.447 12.015 0.594 1.00 0.00 C ATOM 1018 O LYS A 63 10.664 13.145 1.033 1.00 0.00 O ATOM 1019 CB LYS A 63 12.761 11.465 1.379 1.00 0.00 C ATOM 1020 CG LYS A 63 13.399 12.645 0.664 1.00 0.00 C ATOM 1021 CD LYS A 63 14.576 12.209 -0.195 1.00 0.00 C ATOM 1022 CE LYS A 63 14.502 12.809 -1.591 1.00 0.00 C ATOM 1023 NZ LYS A 63 15.837 13.258 -2.075 1.00 0.00 N ATOM 0 H LYS A 63 12.763 10.742 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 63 11.110 10.094 1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.496 11.765 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.495 10.663 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.655 13.138 0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.735 13.378 1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.508 12.511 0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.592 11.121 -0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.095 12.071 -2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.814 13.655 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.743 13.660 -3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.215 13.981 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.487 12.446 -2.104 1.00 0.00 H new ATOM 1092 N ARG A 68 6.174 17.308 4.255 1.00 0.00 N ATOM 1093 CA ARG A 68 7.151 17.570 5.308 1.00 0.00 C ATOM 1094 C ARG A 68 7.543 16.283 6.028 1.00 0.00 C ATOM 1095 O ARG A 68 8.633 16.181 6.592 1.00 0.00 O ATOM 1096 CB ARG A 68 6.591 18.579 6.312 1.00 0.00 C ATOM 1097 CG ARG A 68 7.649 19.480 6.926 1.00 0.00 C ATOM 1098 CD ARG A 68 7.202 20.026 8.273 1.00 0.00 C ATOM 1099 NE ARG A 68 7.736 21.361 8.528 1.00 0.00 N ATOM 1100 CZ ARG A 68 7.478 22.065 9.628 1.00 0.00 C ATOM 1101 NH1 ARG A 68 6.695 21.566 10.575 1.00 0.00 N ATOM 1102 NH2 ARG A 68 8.005 23.272 9.781 1.00 0.00 N ATOM 0 HA ARG A 68 8.044 17.987 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.844 19.197 5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.079 18.040 7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.577 18.922 7.048 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.861 20.307 6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.113 20.059 8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.526 19.349 9.064 1.00 0.00 H new ATOM 0 HE ARG A 68 8.342 21.779 7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.287 20.638 10.463 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.501 22.110 11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.608 23.661 9.056 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.807 23.812 10.624 1.00 0.00 H new ATOM 1116 N ASN A 69 6.647 15.305 6.003 1.00 0.00 N ATOM 1117 CA ASN A 69 6.890 14.020 6.651 1.00 0.00 C ATOM 1118 C ASN A 69 6.141 12.908 5.924 1.00 0.00 C ATOM 1119 O ASN A 69 5.278 13.178 5.090 1.00 0.00 O ATOM 1120 CB ASN A 69 6.453 14.075 8.117 1.00 0.00 C ATOM 1121 CG ASN A 69 7.003 12.920 8.930 1.00 0.00 C ATOM 1122 OD1 ASN A 69 7.988 12.289 8.548 1.00 0.00 O ATOM 1123 ND2 ASN A 69 6.365 12.636 10.060 1.00 0.00 N ATOM 0 H ASN A 69 5.741 15.376 5.539 1.00 0.00 H new ATOM 0 HA ASN A 69 7.958 13.808 6.609 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.785 15.015 8.557 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.364 14.066 8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.688 11.868 10.649 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.552 13.185 10.339 1.00 0.00 H new ATOM 1130 N VAL A 70 6.472 11.659 6.238 1.00 0.00 N ATOM 1131 CA VAL A 70 5.818 10.523 5.600 1.00 0.00 C ATOM 1132 C VAL A 70 4.585 10.086 6.376 1.00 0.00 C ATOM 1133 O VAL A 70 3.536 9.814 5.796 1.00 0.00 O ATOM 1134 CB VAL A 70 6.777 9.322 5.436 1.00 0.00 C ATOM 1135 CG1 VAL A 70 7.032 8.627 6.766 1.00 0.00 C ATOM 1136 CG2 VAL A 70 6.223 8.339 4.417 1.00 0.00 C ATOM 0 H VAL A 70 7.184 11.410 6.925 1.00 0.00 H new ATOM 0 HA VAL A 70 5.514 10.859 4.609 1.00 0.00 H new ATOM 0 HB VAL A 70 7.732 9.703 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.710 7.787 6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.480 9.333 7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.089 8.262 7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.909 7.498 4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.252 7.975 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.110 8.838 3.454 1.00 0.00 H new ATOM 1146 N ASP A 71 4.725 10.022 7.689 1.00 0.00 N ATOM 1147 CA ASP A 71 3.628 9.617 8.559 1.00 0.00 C ATOM 1148 C ASP A 71 2.436 10.544 8.396 1.00 0.00 C ATOM 1149 O ASP A 71 1.312 10.100 8.162 1.00 0.00 O ATOM 1150 CB ASP A 71 4.084 9.592 10.020 1.00 0.00 C ATOM 1151 CG ASP A 71 3.907 8.227 10.657 1.00 0.00 C ATOM 1152 OD1 ASP A 71 2.755 7.866 10.977 1.00 0.00 O ATOM 1153 OD2 ASP A 71 4.920 7.518 10.834 1.00 0.00 O ATOM 0 H ASP A 71 5.591 10.246 8.180 1.00 0.00 H new ATOM 0 HA ASP A 71 3.322 8.612 8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.133 9.883 10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.518 10.331 10.587 1.00 0.00 H new ATOM 1158 N VAL A 72 2.695 11.832 8.512 1.00 0.00 N ATOM 1159 CA VAL A 72 1.650 12.837 8.369 1.00 0.00 C ATOM 1160 C VAL A 72 1.066 12.811 6.965 1.00 0.00 C ATOM 1161 O VAL A 72 -0.077 13.213 6.748 1.00 0.00 O ATOM 1162 CB VAL A 72 2.175 14.253 8.673 1.00 0.00 C ATOM 1163 CG1 VAL A 72 1.023 15.240 8.772 1.00 0.00 C ATOM 1164 CG2 VAL A 72 3.002 14.256 9.952 1.00 0.00 C ATOM 0 H VAL A 72 3.622 12.212 8.705 1.00 0.00 H new ATOM 0 HA VAL A 72 0.873 12.592 9.093 1.00 0.00 H new ATOM 0 HB VAL A 72 2.820 14.564 7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.414 16.235 8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.479 15.260 7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.349 14.934 9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.364 15.265 10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.384 13.923 10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.851 13.582 9.838 1.00 0.00 H new ATOM 1174 N HIS A 73 1.854 12.322 6.016 1.00 0.00 N ATOM 1175 CA HIS A 73 1.410 12.228 4.635 1.00 0.00 C ATOM 1176 C HIS A 73 0.386 11.116 4.487 1.00 0.00 C ATOM 1177 O HIS A 73 -0.522 11.196 3.660 1.00 0.00 O ATOM 1178 CB HIS A 73 2.599 11.979 3.705 1.00 0.00 C ATOM 1179 CG HIS A 73 2.525 12.742 2.419 1.00 0.00 C ATOM 1180 ND1 HIS A 73 1.534 13.501 1.894 1.00 0.00 N flip ATOM 1181 CD2 HIS A 73 3.559 12.781 1.507 1.00 0.00 C flip ATOM 1182 CE1 HIS A 73 1.983 13.979 0.687 1.00 0.00 C flip ATOM 1183 NE2 HIS A 73 3.207 13.531 0.478 1.00 0.00 N flip ATOM 0 H HIS A 73 2.803 11.985 6.179 1.00 0.00 H new ATOM 0 HA HIS A 73 0.945 13.174 4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.519 12.248 4.225 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.659 10.914 3.483 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.508 12.277 1.617 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.425 14.617 0.018 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.783 13.730 -0.340 1.00 0.00 H new ATOM 1192 N ILE A 74 0.531 10.085 5.307 1.00 0.00 N ATOM 1193 CA ILE A 74 -0.391 8.961 5.278 1.00 0.00 C ATOM 1194 C ILE A 74 -1.793 9.416 5.662 1.00 0.00 C ATOM 1195 O ILE A 74 -2.788 8.821 5.248 1.00 0.00 O ATOM 1196 CB ILE A 74 0.050 7.829 6.231 1.00 0.00 C ATOM 1197 CG1 ILE A 74 1.511 7.447 5.977 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -0.853 6.613 6.070 1.00 0.00 C ATOM 1199 CD1 ILE A 74 1.823 7.159 4.524 1.00 0.00 C ATOM 0 H ILE A 74 1.276 10.004 5.998 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.390 8.573 4.259 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.037 8.192 7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.154 8.256 6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.756 6.568 6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.527 5.825 6.749 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.881 6.890 6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.798 6.252 5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.876 6.896 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.207 6.330 4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.611 8.044 3.924 1.00 0.00 H new ATOM 1211 N ALA A 75 -1.860 10.479 6.457 1.00 0.00 N ATOM 1212 CA ALA A 75 -3.136 11.022 6.900 1.00 0.00 C ATOM 1213 C ALA A 75 -3.922 11.593 5.735 1.00 0.00 C ATOM 1214 O ALA A 75 -5.081 11.239 5.518 1.00 0.00 O ATOM 1215 CB ALA A 75 -2.921 12.080 7.972 1.00 0.00 C ATOM 0 H ALA A 75 -1.044 10.981 6.807 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.719 10.207 7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.885 12.475 8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.410 11.634 8.826 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.313 12.889 7.568 1.00 0.00 H new ATOM 1221 N SER A 76 -3.283 12.469 4.981 1.00 0.00 N ATOM 1222 CA SER A 76 -3.923 13.081 3.824 1.00 0.00 C ATOM 1223 C SER A 76 -4.122 12.044 2.737 1.00 0.00 C ATOM 1224 O SER A 76 -5.115 12.067 2.010 1.00 0.00 O ATOM 1225 CB SER A 76 -3.094 14.254 3.300 1.00 0.00 C ATOM 1226 OG SER A 76 -2.374 14.879 4.348 1.00 0.00 O ATOM 0 H SER A 76 -2.324 12.774 5.146 1.00 0.00 H new ATOM 0 HA SER A 76 -4.896 13.467 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.399 13.901 2.538 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.750 14.981 2.821 1.00 0.00 H new ATOM 0 HG SER A 76 -1.851 15.625 3.986 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.185 11.117 2.655 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.269 10.047 1.683 1.00 0.00 C ATOM 1234 C LEU A 77 -4.398 9.103 2.066 1.00 0.00 C ATOM 1235 O LEU A 77 -4.960 8.410 1.219 1.00 0.00 O ATOM 1236 CB LEU A 77 -1.943 9.290 1.602 1.00 0.00 C ATOM 1237 CG LEU A 77 -1.918 8.102 0.636 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -2.514 6.867 1.288 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -2.655 8.435 -0.655 1.00 0.00 C ATOM 0 H LEU A 77 -2.358 11.085 3.251 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.475 10.472 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.162 9.991 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.689 8.930 2.599 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.878 7.891 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.486 6.035 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.937 6.610 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.547 7.068 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.623 7.575 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.693 8.680 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.177 9.288 -1.137 1.00 0.00 H new ATOM 1251 N ARG A 78 -4.734 9.098 3.354 1.00 0.00 N ATOM 1252 CA ARG A 78 -5.806 8.259 3.861 1.00 0.00 C ATOM 1253 C ARG A 78 -7.132 8.647 3.224 1.00 0.00 C ATOM 1254 O ARG A 78 -8.024 7.815 3.061 1.00 0.00 O ATOM 1255 CB ARG A 78 -5.898 8.375 5.385 1.00 0.00 C ATOM 1256 CG ARG A 78 -5.793 7.040 6.106 1.00 0.00 C ATOM 1257 CD ARG A 78 -5.582 7.229 7.599 1.00 0.00 C ATOM 1258 NE ARG A 78 -6.210 6.165 8.380 1.00 0.00 N ATOM 1259 CZ ARG A 78 -7.509 6.124 8.668 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -8.321 7.084 8.244 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -7.997 5.119 9.382 1.00 0.00 N ATOM 0 H ARG A 78 -4.275 9.669 4.064 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.585 7.224 3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.104 9.033 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.845 8.847 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.701 6.461 5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.966 6.465 5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.514 7.254 7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.991 8.192 7.904 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.618 5.409 8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.951 7.859 7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.315 7.047 8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.377 4.378 9.710 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.992 5.087 9.603 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.255 9.921 2.869 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.479 10.421 2.252 1.00 0.00 C ATOM 1277 C LYS A 79 -8.431 10.311 0.729 1.00 0.00 C ATOM 1278 O LYS A 79 -9.461 10.405 0.062 1.00 0.00 O ATOM 1279 CB LYS A 79 -8.726 11.873 2.664 1.00 0.00 C ATOM 1280 CG LYS A 79 -10.145 12.349 2.393 1.00 0.00 C ATOM 1281 CD LYS A 79 -10.161 13.693 1.680 1.00 0.00 C ATOM 1282 CE LYS A 79 -10.507 14.826 2.634 1.00 0.00 C ATOM 1283 NZ LYS A 79 -10.473 16.152 1.956 1.00 0.00 N ATOM 0 H LYS A 79 -6.527 10.624 2.997 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.302 9.800 2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.512 11.982 3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.027 12.517 2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.668 11.609 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.688 12.430 3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.186 13.879 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.887 13.666 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.499 14.658 3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.805 14.826 3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.714 16.898 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.520 16.324 1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.161 16.161 1.176 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.236 10.118 0.180 1.00 0.00 N ATOM 1298 CA LYS A 80 -7.072 10.004 -1.260 1.00 0.00 C ATOM 1299 C LYS A 80 -7.275 8.571 -1.732 1.00 0.00 C ATOM 1300 O LYS A 80 -8.134 8.291 -2.569 1.00 0.00 O ATOM 1301 CB LYS A 80 -5.686 10.505 -1.677 1.00 0.00 C ATOM 1302 CG LYS A 80 -5.723 11.803 -2.469 1.00 0.00 C ATOM 1303 CD LYS A 80 -4.769 12.839 -1.894 1.00 0.00 C ATOM 1304 CE LYS A 80 -5.379 14.232 -1.919 1.00 0.00 C ATOM 1305 NZ LYS A 80 -5.110 14.978 -0.659 1.00 0.00 N ATOM 0 H LYS A 80 -6.369 10.038 0.712 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.834 10.624 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.077 10.650 -0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.196 9.737 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.461 11.603 -3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.737 12.202 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.514 12.571 -0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.840 12.837 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.976 14.790 -2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.455 14.154 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.542 15.922 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.517 14.459 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.083 15.075 -0.525 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.467 7.677 -1.194 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.523 6.265 -1.548 1.00 0.00 C ATOM 1321 C LEU A 81 -7.863 5.632 -1.164 1.00 0.00 C ATOM 1322 O LEU A 81 -8.244 4.596 -1.710 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.354 5.524 -0.885 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.656 4.855 0.461 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -4.374 4.331 1.094 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -6.353 5.828 1.402 1.00 0.00 C ATOM 0 H LEU A 81 -5.754 7.905 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.435 6.180 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.996 4.760 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.537 6.231 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.325 4.013 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.606 3.859 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.913 3.600 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.684 5.159 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.558 5.333 2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.710 6.691 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.291 6.158 0.955 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.574 6.255 -0.227 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.858 5.727 0.200 1.00 0.00 C ATOM 1340 C GLY A 82 -9.818 5.140 1.599 1.00 0.00 C ATOM 1341 O GLY A 82 -9.364 5.792 2.540 1.00 0.00 O ATOM 0 H GLY A 82 -8.285 7.113 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.602 6.523 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.181 4.958 -0.502 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.300 3.908 1.737 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.324 3.233 3.032 1.00 0.00 C ATOM 1347 C ALA A 83 -9.027 2.472 3.293 1.00 0.00 C ATOM 1348 O ALA A 83 -8.718 2.127 4.434 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.516 2.291 3.112 1.00 0.00 C ATOM 0 H ALA A 83 -10.680 3.356 0.968 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.420 3.996 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.523 1.794 4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.438 2.859 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.443 1.544 2.322 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.267 2.218 2.233 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.002 1.504 2.352 1.00 0.00 C ATOM 1357 C TYR A 84 -6.049 2.264 3.267 1.00 0.00 C ATOM 1358 O TYR A 84 -5.148 1.678 3.866 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.357 1.303 0.975 1.00 0.00 C ATOM 1360 CG TYR A 84 -7.348 1.080 -0.146 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -8.385 0.164 -0.015 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -7.245 1.788 -1.337 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -9.290 -0.039 -1.039 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -8.147 1.591 -2.364 1.00 0.00 C ATOM 1365 CZ TYR A 84 -9.167 0.677 -2.211 1.00 0.00 C ATOM 1366 OH TYR A 84 -10.066 0.479 -3.233 1.00 0.00 O ATOM 0 H TYR A 84 -8.506 2.496 1.281 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.205 0.525 2.785 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.749 2.177 0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.682 0.449 1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.485 -0.398 0.902 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.446 2.504 -1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.090 -0.755 -0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.053 2.151 -3.283 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.199 -0.482 -3.370 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.264 3.573 3.383 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.425 4.387 4.241 1.00 0.00 C ATOM 1378 C GLY A 85 -5.431 3.880 5.665 1.00 0.00 C ATOM 1379 O GLY A 85 -4.419 3.939 6.362 1.00 0.00 O ATOM 0 H GLY A 85 -7.003 4.082 2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.404 4.388 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.774 5.419 4.220 1.00 0.00 H new ATOM 1383 N SER A 86 -6.578 3.361 6.089 1.00 0.00 N ATOM 1384 CA SER A 86 -6.716 2.818 7.430 1.00 0.00 C ATOM 1385 C SER A 86 -5.951 1.507 7.550 1.00 0.00 C ATOM 1386 O SER A 86 -5.617 1.069 8.651 1.00 0.00 O ATOM 1387 CB SER A 86 -8.192 2.598 7.770 1.00 0.00 C ATOM 1388 OG SER A 86 -8.359 2.299 9.145 1.00 0.00 O ATOM 0 H SER A 86 -7.424 3.306 5.522 1.00 0.00 H new ATOM 0 HA SER A 86 -6.299 3.535 8.137 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.764 3.491 7.517 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.590 1.782 7.166 1.00 0.00 H new ATOM 0 HG SER A 86 -9.310 2.164 9.337 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.671 0.882 6.406 1.00 0.00 N ATOM 1395 CA ARG A 87 -4.938 -0.381 6.385 1.00 0.00 C ATOM 1396 C ARG A 87 -3.671 -0.296 7.235 1.00 0.00 C ATOM 1397 O ARG A 87 -3.215 -1.298 7.786 1.00 0.00 O ATOM 1398 CB ARG A 87 -4.578 -0.767 4.951 1.00 0.00 C ATOM 1399 CG ARG A 87 -4.050 -2.187 4.822 1.00 0.00 C ATOM 1400 CD ARG A 87 -4.237 -2.726 3.414 1.00 0.00 C ATOM 1401 NE ARG A 87 -3.689 -1.821 2.405 1.00 0.00 N ATOM 1402 CZ ARG A 87 -2.755 -2.163 1.518 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -2.253 -3.393 1.502 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -2.321 -1.269 0.640 1.00 0.00 N ATOM 0 H ARG A 87 -5.940 1.229 5.486 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.585 -1.149 6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.460 -0.657 4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.828 -0.073 4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.992 -2.208 5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.566 -2.834 5.532 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.752 -3.699 3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.299 -2.882 3.223 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.045 -0.865 2.378 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.582 -4.087 2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.539 -3.643 0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.702 -0.323 0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.606 -1.528 -0.040 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.114 0.907 7.346 1.00 0.00 N ATOM 1419 CA ILE A 88 -1.908 1.121 8.141 1.00 0.00 C ATOM 1420 C ILE A 88 -2.206 0.894 9.620 1.00 0.00 C ATOM 1421 O ILE A 88 -2.363 1.844 10.387 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.340 2.546 7.946 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.380 2.947 6.469 1.00 0.00 C ATOM 1424 CG2 ILE A 88 0.084 2.634 8.478 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -0.681 1.965 5.554 1.00 0.00 C ATOM 0 H ILE A 88 -3.478 1.747 6.896 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.160 0.405 7.799 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.964 3.239 8.510 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.420 3.045 6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.919 3.928 6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.465 3.645 8.331 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.091 2.394 9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.717 1.926 7.943 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.750 2.315 4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.368 1.884 5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.156 0.988 5.638 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.302 -0.376 10.008 1.00 0.00 N ATOM 1438 CA VAL A 89 -2.605 -0.739 11.388 1.00 0.00 C ATOM 1439 C VAL A 89 -1.391 -0.576 12.296 1.00 0.00 C ATOM 1440 O VAL A 89 -0.379 -1.253 12.124 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.108 -2.192 11.480 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -3.564 -2.517 12.895 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.231 -2.432 10.483 1.00 0.00 C ATOM 0 H VAL A 89 -2.174 -1.172 9.383 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.388 -0.060 11.724 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.281 -2.857 11.231 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.915 -3.548 12.936 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.729 -2.390 13.584 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.375 -1.846 13.179 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.574 -3.464 10.562 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.059 -1.757 10.698 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.866 -2.248 9.473 1.00 0.00 H new ATOM 1453 N THR A 90 -1.510 0.317 13.274 1.00 0.00 N ATOM 1454 CA THR A 90 -0.432 0.562 14.224 1.00 0.00 C ATOM 1455 C THR A 90 -0.645 -0.261 15.489 1.00 0.00 C ATOM 1456 O THR A 90 -1.152 0.241 16.492 1.00 0.00 O ATOM 1457 CB THR A 90 -0.357 2.050 14.574 1.00 0.00 C ATOM 1458 OG1 THR A 90 -0.170 2.831 13.407 1.00 0.00 O ATOM 1459 CG2 THR A 90 0.765 2.383 15.534 1.00 0.00 C ATOM 0 H THR A 90 -2.344 0.883 13.429 1.00 0.00 H new ATOM 0 HA THR A 90 0.509 0.263 13.763 1.00 0.00 H new ATOM 0 HB THR A 90 -1.307 2.282 15.056 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.772 2.796 13.138 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.762 3.453 15.740 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.623 1.834 16.465 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.720 2.102 15.089 1.00 0.00 H new ATOM 1467 N LEU A 91 -0.262 -1.532 15.430 1.00 0.00 N ATOM 1468 CA LEU A 91 -0.419 -2.434 16.566 1.00 0.00 C ATOM 1469 C LEU A 91 0.537 -2.068 17.698 1.00 0.00 C ATOM 1470 O LEU A 91 1.689 -1.706 17.460 1.00 0.00 O ATOM 1471 CB LEU A 91 -0.182 -3.881 16.127 1.00 0.00 C ATOM 1472 CG LEU A 91 -1.453 -4.684 15.835 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -1.294 -5.491 14.555 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -1.788 -5.597 17.005 1.00 0.00 C ATOM 0 H LEU A 91 0.160 -1.962 14.607 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.439 -2.334 16.937 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.441 -3.876 15.232 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.383 -4.393 16.906 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.277 -3.984 15.698 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.207 -6.055 14.364 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.103 -4.816 13.721 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.457 -6.181 14.662 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.694 -6.160 16.780 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.963 -6.289 17.174 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.947 -4.997 17.901 1.00 0.00 H new ATOM 1486 N ARG A 92 0.049 -2.171 18.930 1.00 0.00 N ATOM 1487 CA ARG A 92 0.856 -1.858 20.103 1.00 0.00 C ATOM 1488 C ARG A 92 1.768 -3.028 20.457 1.00 0.00 C ATOM 1489 O ARG A 92 1.457 -3.827 21.340 1.00 0.00 O ATOM 1490 CB ARG A 92 -0.045 -1.520 21.292 1.00 0.00 C ATOM 1491 CG ARG A 92 0.584 -0.545 22.275 1.00 0.00 C ATOM 1492 CD ARG A 92 0.862 -1.204 23.617 1.00 0.00 C ATOM 1493 NE ARG A 92 1.039 -0.221 24.683 1.00 0.00 N ATOM 1494 CZ ARG A 92 0.035 0.438 25.258 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -1.216 0.221 24.874 1.00 0.00 N ATOM 1496 NH2 ARG A 92 0.284 1.316 26.220 1.00 0.00 N ATOM 0 H ARG A 92 -0.903 -2.469 19.142 1.00 0.00 H new ATOM 0 HA ARG A 92 1.476 -0.992 19.870 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.979 -1.097 20.921 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -0.299 -2.440 21.818 1.00 0.00 H new ATOM 0 HG2 ARG A 92 1.514 -0.158 21.859 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.080 0.307 22.418 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.038 -1.870 23.871 1.00 0.00 H new ATOM 0 HD3 ARG A 92 1.758 -1.820 23.540 1.00 0.00 H new ATOM 0 HE ARG A 92 1.987 -0.028 25.006 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.413 -0.454 24.135 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.981 0.729 25.318 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.244 1.486 26.519 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.485 1.821 26.661 1.00 0.00 H new ATOM 1510 N GLY A 93 2.893 -3.124 19.757 1.00 0.00 N ATOM 1511 CA GLY A 93 3.833 -4.202 20.004 1.00 0.00 C ATOM 1512 C GLY A 93 4.248 -4.903 18.727 1.00 0.00 C ATOM 1513 O GLY A 93 5.339 -5.468 18.647 1.00 0.00 O ATOM 0 H GLY A 93 3.171 -2.474 19.022 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.717 -3.804 20.502 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.383 -4.925 20.684 1.00 0.00 H new ATOM 1517 N VAL A 94 3.377 -4.863 17.724 1.00 0.00 N ATOM 1518 CA VAL A 94 3.657 -5.494 16.442 1.00 0.00 C ATOM 1519 C VAL A 94 4.312 -4.507 15.484 1.00 0.00 C ATOM 1520 O VAL A 94 5.289 -4.833 14.809 1.00 0.00 O ATOM 1521 CB VAL A 94 2.376 -6.046 15.784 1.00 0.00 C ATOM 1522 CG1 VAL A 94 2.726 -7.071 14.718 1.00 0.00 C ATOM 1523 CG2 VAL A 94 1.446 -6.651 16.825 1.00 0.00 C ATOM 0 H VAL A 94 2.470 -4.399 17.776 1.00 0.00 H new ATOM 0 HA VAL A 94 4.336 -6.323 16.642 1.00 0.00 H new ATOM 0 HB VAL A 94 1.854 -5.216 15.308 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.811 -7.450 14.264 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.344 -6.603 13.952 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.274 -7.896 15.173 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.550 -7.033 16.335 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.955 -7.467 17.337 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.165 -5.887 17.550 1.00 0.00 H new ATOM 1533 N GLY A 95 3.765 -3.297 15.430 1.00 0.00 N ATOM 1534 CA GLY A 95 4.302 -2.275 14.553 1.00 0.00 C ATOM 1535 C GLY A 95 3.272 -1.764 13.567 1.00 0.00 C ATOM 1536 O GLY A 95 2.266 -1.175 13.961 1.00 0.00 O ATOM 0 H GLY A 95 2.957 -3.006 15.980 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.672 -1.443 15.152 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.155 -2.679 14.007 1.00 0.00 H new ATOM 1540 N TYR A 96 3.523 -1.989 12.283 1.00 0.00 N ATOM 1541 CA TYR A 96 2.610 -1.548 11.237 1.00 0.00 C ATOM 1542 C TYR A 96 2.131 -2.731 10.403 1.00 0.00 C ATOM 1543 O TYR A 96 2.899 -3.312 9.636 1.00 0.00 O ATOM 1544 CB TYR A 96 3.294 -0.518 10.337 1.00 0.00 C ATOM 1545 CG TYR A 96 3.041 0.916 10.749 1.00 0.00 C ATOM 1546 CD1 TYR A 96 3.171 1.311 12.075 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.675 1.874 9.813 1.00 0.00 C ATOM 1548 CE1 TYR A 96 2.943 2.620 12.455 1.00 0.00 C ATOM 1549 CE2 TYR A 96 2.447 3.186 10.186 1.00 0.00 C ATOM 1550 CZ TYR A 96 2.582 3.553 11.508 1.00 0.00 C ATOM 1551 OH TYR A 96 2.354 4.857 11.883 1.00 0.00 O ATOM 0 H TYR A 96 4.352 -2.475 11.941 1.00 0.00 H new ATOM 0 HA TYR A 96 1.745 -1.087 11.713 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.368 -0.703 10.340 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.949 -0.658 9.313 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.455 0.583 12.821 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.567 1.590 8.777 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.047 2.910 13.490 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.165 3.919 9.445 1.00 0.00 H new ATOM 0 HH TYR A 96 2.110 5.386 11.095 1.00 0.00 H new ATOM 1561 N LEU A 97 0.859 -3.085 10.556 1.00 0.00 N ATOM 1562 CA LEU A 97 0.287 -4.201 9.814 1.00 0.00 C ATOM 1563 C LEU A 97 -0.743 -3.716 8.801 1.00 0.00 C ATOM 1564 O LEU A 97 -1.563 -2.847 9.099 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.358 -5.203 10.773 1.00 0.00 C ATOM 1566 CG LEU A 97 -1.029 -6.402 10.100 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -0.844 -7.658 10.936 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -2.506 -6.124 9.869 1.00 0.00 C ATOM 0 H LEU A 97 0.207 -2.616 11.185 1.00 0.00 H new ATOM 0 HA LEU A 97 1.096 -4.693 9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.406 -5.571 11.458 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.101 -4.680 11.375 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.554 -6.564 9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.328 -8.499 10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.220 -7.867 11.049 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.291 -7.510 11.919 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.968 -6.987 9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.995 -5.935 10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.616 -5.250 9.227 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.698 -4.290 7.604 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.630 -3.924 6.544 1.00 0.00 C ATOM 1582 C PHE A 98 -2.823 -4.875 6.539 1.00 0.00 C ATOM 1583 O PHE A 98 -2.811 -5.907 5.867 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.929 -3.937 5.180 1.00 0.00 C ATOM 1585 CG PHE A 98 0.533 -3.573 5.242 1.00 0.00 C ATOM 1586 CD1 PHE A 98 0.981 -2.591 6.113 1.00 0.00 C ATOM 1587 CD2 PHE A 98 1.458 -4.214 4.432 1.00 0.00 C ATOM 1588 CE1 PHE A 98 2.320 -2.258 6.176 1.00 0.00 C ATOM 1589 CE2 PHE A 98 2.799 -3.884 4.490 1.00 0.00 C ATOM 1590 CZ PHE A 98 3.230 -2.905 5.363 1.00 0.00 C ATOM 0 H PHE A 98 -0.025 -5.011 7.343 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.990 -2.913 6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.028 -4.930 4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.439 -3.241 4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.274 -2.080 6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.127 -4.981 3.747 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.655 -1.493 6.860 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.509 -4.391 3.853 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.277 -2.645 5.410 1.00 0.00 H new ATOM 1600 N SER A 99 -3.843 -4.521 7.314 1.00 0.00 N ATOM 1601 CA SER A 99 -5.055 -5.330 7.439 1.00 0.00 C ATOM 1602 C SER A 99 -5.555 -5.843 6.090 1.00 0.00 C ATOM 1603 O SER A 99 -5.079 -5.431 5.032 1.00 0.00 O ATOM 1604 CB SER A 99 -6.158 -4.519 8.120 1.00 0.00 C ATOM 1605 OG SER A 99 -6.749 -3.602 7.216 1.00 0.00 O ATOM 0 H SER A 99 -3.855 -3.668 7.873 1.00 0.00 H new ATOM 0 HA SER A 99 -4.800 -6.198 8.047 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.921 -5.193 8.510 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.744 -3.979 8.972 1.00 0.00 H new ATOM 0 HG SER A 99 -7.452 -3.097 7.675 1.00 0.00 H new