USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 845 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 19 ASN : amide:sc= -2.78! C(o=-3.3!,f=-4.4!) USER MOD Set 1.2: A 116 HIS : no HD1:sc= -0.553 K(o=-3.3,f=-5.3) USER MOD Set 2.1: A 98 GLN : amide:sc= 0.018 K(o=1.2,f=-2.2) USER MOD Set 2.2: A 106 SER OG : rot 107:sc= 1.23 USER MOD Set 3.1: A 63 GLN : amide:sc= 0.00274 X(o=0.0052,f=0) USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= 0.00244 USER MOD Single : A 10 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.4!) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00259 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -2.13 X(o=-2.1,f=-2.6) USER MOD Single : A 32 ASN : amide:sc= -0.483 K(o=-0.48,f=-1.7!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot -127:sc= 0.544 USER MOD Single : A 41 ASN : amide:sc= -0.435 X(o=-0.43,f=-0.16) USER MOD Single : A 43 TYR OH : rot 180:sc=-0.00613 USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0169) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0599 K(o=-0.06,f=-1.1) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.832 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.2 K(o=-2.2,f=-14!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 70 TYR OH : rot -11:sc= 0.0445 USER MOD Single : A 71 SER OG : rot 66:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.922 K(o=-0.92,f=-4.8!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.5!) USER MOD Single : A 81 SER OG : rot 150:sc= -0.721 USER MOD Single : A 84 MET CE :methyl 134:sc= -1.27 (180deg=-3.89!) USER MOD Single : A 86 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.7!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.539 K(o=-0.54,f=-1.9!) USER MOD Single : A 92 THR OG1 : rot 95:sc= 0.305 USER MOD Single : A 94 SER OG : rot 10:sc= 0.227 USER MOD Single : A 95 TYR OH : rot -87:sc= 0.448 USER MOD Single : A 96 THR OG1 : rot 61:sc= 0.816 USER MOD Single : A 101 LYS NZ :NH3+ 148:sc= -0.96 (180deg=-1.25) USER MOD Single : A 103 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.22) USER MOD Single : A 105 MET CE :methyl -142:sc= 0 (180deg=-0.0101) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.00312 USER MOD Single : A 112 GLN : amide:sc= -6.06! C(o=-6.1!,f=-6.3!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 10 1.530 15.920 9.277 1.00 0.00 N ATOM 91 CA GLN A 10 1.779 15.124 8.081 1.00 0.00 C ATOM 92 C GLN A 10 0.740 14.017 7.938 1.00 0.00 C ATOM 93 O GLN A 10 0.473 13.275 8.885 1.00 0.00 O ATOM 94 CB GLN A 10 3.183 14.520 8.128 1.00 0.00 C ATOM 95 CG GLN A 10 3.367 13.494 9.234 1.00 0.00 C ATOM 96 CD GLN A 10 4.792 13.436 9.746 1.00 0.00 C ATOM 97 OE1 GLN A 10 5.608 14.307 9.444 1.00 0.00 O ATOM 98 NE2 GLN A 10 5.101 12.407 10.526 1.00 0.00 N ATOM 0 HA GLN A 10 1.703 15.782 7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.400 14.050 7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.910 15.321 8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.698 13.733 10.061 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.078 12.510 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.394 11.707 10.751 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.046 12.316 10.900 1.00 0.00 H new ATOM 107 N LEU A 11 0.157 13.909 6.749 1.00 0.00 N ATOM 108 CA LEU A 11 -0.854 12.891 6.482 1.00 0.00 C ATOM 109 C LEU A 11 -0.395 11.524 6.979 1.00 0.00 C ATOM 110 O LEU A 11 0.685 11.052 6.622 1.00 0.00 O ATOM 111 CB LEU A 11 -1.157 12.827 4.984 1.00 0.00 C ATOM 112 CG LEU A 11 -2.581 12.418 4.605 1.00 0.00 C ATOM 113 CD1 LEU A 11 -2.797 12.564 3.107 1.00 0.00 C ATOM 114 CD2 LEU A 11 -2.863 10.991 5.051 1.00 0.00 C ATOM 0 H LEU A 11 0.367 14.513 5.955 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.762 13.165 7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.954 13.806 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.463 12.124 4.523 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.278 13.081 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.816 12.269 2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.638 13.602 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.092 11.926 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.881 10.717 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.160 10.313 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.751 10.919 6.133 1.00 0.00 H new ATOM 126 N THR A 12 -1.223 10.892 7.805 1.00 0.00 N ATOM 127 CA THR A 12 -0.903 9.578 8.350 1.00 0.00 C ATOM 128 C THR A 12 -2.124 8.666 8.339 1.00 0.00 C ATOM 129 O THR A 12 -3.233 9.101 8.026 1.00 0.00 O ATOM 130 CB THR A 12 -0.368 9.684 9.791 1.00 0.00 C ATOM 131 OG1 THR A 12 0.312 8.476 10.150 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.501 9.945 10.771 1.00 0.00 C ATOM 0 H THR A 12 -2.120 11.269 8.111 1.00 0.00 H new ATOM 0 HA THR A 12 -0.129 9.151 7.713 1.00 0.00 H new ATOM 0 HB THR A 12 0.329 10.521 9.836 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.651 8.551 11.066 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.099 10.016 11.782 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.998 10.880 10.512 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.219 9.127 10.723 1.00 0.00 H new ATOM 140 N ILE A 13 -1.914 7.400 8.684 1.00 0.00 N ATOM 141 CA ILE A 13 -3.000 6.428 8.716 1.00 0.00 C ATOM 142 C ILE A 13 -2.869 5.497 9.916 1.00 0.00 C ATOM 143 O ILE A 13 -1.836 4.856 10.107 1.00 0.00 O ATOM 144 CB ILE A 13 -3.037 5.584 7.428 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.460 6.448 6.238 1.00 0.00 C ATOM 146 CG2 ILE A 13 -3.982 4.403 7.595 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.132 5.831 4.896 1.00 0.00 C ATOM 0 H ILE A 13 -1.003 7.024 8.945 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.928 6.994 8.798 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.036 5.198 7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.534 6.628 6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.970 7.419 6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.997 3.816 6.676 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.640 3.777 8.420 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.986 4.768 7.809 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.460 6.498 4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.056 5.676 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.644 4.873 4.801 1.00 0.00 H new ATOM 159 N GLU A 14 -3.924 5.427 10.722 1.00 0.00 N ATOM 160 CA GLU A 14 -3.927 4.573 11.903 1.00 0.00 C ATOM 161 C GLU A 14 -4.988 3.482 11.785 1.00 0.00 C ATOM 162 O GLU A 14 -6.175 3.771 11.637 1.00 0.00 O ATOM 163 CB GLU A 14 -4.175 5.406 13.162 1.00 0.00 C ATOM 164 CG GLU A 14 -4.170 4.590 14.444 1.00 0.00 C ATOM 165 CD GLU A 14 -4.334 5.449 15.683 1.00 0.00 C ATOM 166 OE1 GLU A 14 -3.340 6.077 16.104 1.00 0.00 O ATOM 167 OE2 GLU A 14 -5.454 5.493 16.231 1.00 0.00 O ATOM 0 H GLU A 14 -4.787 5.951 10.578 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.949 4.098 11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.411 6.180 13.231 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.135 5.913 13.068 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.975 3.856 14.406 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.235 4.034 14.513 1.00 0.00 H new ATOM 174 N ALA A 15 -4.551 2.229 11.850 1.00 0.00 N ATOM 175 CA ALA A 15 -5.462 1.096 11.751 1.00 0.00 C ATOM 176 C ALA A 15 -6.325 0.975 13.002 1.00 0.00 C ATOM 177 O ALA A 15 -5.855 1.199 14.117 1.00 0.00 O ATOM 178 CB ALA A 15 -4.682 -0.190 11.520 1.00 0.00 C ATOM 0 H ALA A 15 -3.571 1.973 11.971 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.122 1.266 10.900 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.375 -1.028 11.448 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.113 -0.109 10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.998 -0.355 12.353 1.00 0.00 H new ATOM 184 N VAL A 16 -7.592 0.621 12.809 1.00 0.00 N ATOM 185 CA VAL A 16 -8.522 0.470 13.922 1.00 0.00 C ATOM 186 C VAL A 16 -9.482 -0.689 13.683 1.00 0.00 C ATOM 187 O VAL A 16 -10.391 -0.614 12.856 1.00 0.00 O ATOM 188 CB VAL A 16 -9.335 1.758 14.152 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.315 1.573 15.301 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.407 2.934 14.417 1.00 0.00 C ATOM 0 H VAL A 16 -7.998 0.433 11.892 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.923 0.264 14.809 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.907 1.972 13.249 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.880 2.493 15.449 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.001 0.759 15.067 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.767 1.334 16.212 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.999 3.835 14.577 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.807 2.731 15.304 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.750 3.079 13.560 1.00 0.00 H new ATOM 200 N PRO A 17 -9.279 -1.788 14.424 1.00 0.00 N ATOM 201 CA PRO A 17 -8.200 -1.889 15.411 1.00 0.00 C ATOM 202 C PRO A 17 -6.823 -1.954 14.760 1.00 0.00 C ATOM 203 O PRO A 17 -6.695 -1.835 13.541 1.00 0.00 O ATOM 204 CB PRO A 17 -8.508 -3.199 16.141 1.00 0.00 C ATOM 205 CG PRO A 17 -9.287 -4.005 15.160 1.00 0.00 C ATOM 206 CD PRO A 17 -10.086 -3.018 14.355 1.00 0.00 C ATOM 0 HA PRO A 17 -8.164 -1.018 16.066 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.593 -3.712 16.437 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.081 -3.020 17.051 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.624 -4.586 14.519 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.941 -4.714 15.669 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.220 -3.353 13.327 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.081 -2.870 14.774 1.00 0.00 H new ATOM 214 N SER A 18 -5.794 -2.144 15.580 1.00 0.00 N ATOM 215 CA SER A 18 -4.425 -2.222 15.083 1.00 0.00 C ATOM 216 C SER A 18 -4.073 -3.651 14.679 1.00 0.00 C ATOM 217 O SER A 18 -3.158 -3.877 13.889 1.00 0.00 O ATOM 218 CB SER A 18 -3.445 -1.725 16.148 1.00 0.00 C ATOM 219 OG SER A 18 -2.159 -1.504 15.594 1.00 0.00 O ATOM 0 H SER A 18 -5.882 -2.247 16.591 1.00 0.00 H new ATOM 0 HA SER A 18 -4.348 -1.585 14.202 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.819 -0.800 16.588 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.377 -2.456 16.954 1.00 0.00 H new ATOM 0 HG SER A 18 -1.552 -1.185 16.294 1.00 0.00 H new ATOM 225 N ASN A 19 -4.809 -4.612 15.229 1.00 0.00 N ATOM 226 CA ASN A 19 -4.575 -6.020 14.927 1.00 0.00 C ATOM 227 C ASN A 19 -5.849 -6.837 15.125 1.00 0.00 C ATOM 228 O ASN A 19 -6.253 -7.111 16.254 1.00 0.00 O ATOM 229 CB ASN A 19 -3.458 -6.574 15.813 1.00 0.00 C ATOM 230 CG ASN A 19 -3.903 -6.774 17.248 1.00 0.00 C ATOM 231 OD1 ASN A 19 -3.770 -7.865 17.804 1.00 0.00 O ATOM 232 ND2 ASN A 19 -4.435 -5.720 17.855 1.00 0.00 N ATOM 0 H ASN A 19 -5.571 -4.442 15.885 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.273 -6.097 13.883 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.114 -7.525 15.407 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.608 -5.892 15.791 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.753 -5.795 18.821 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.526 -4.835 17.355 1.00 0.00 H new ATOM 239 N ALA A 20 -6.475 -7.223 14.018 1.00 0.00 N ATOM 240 CA ALA A 20 -7.701 -8.011 14.070 1.00 0.00 C ATOM 241 C ALA A 20 -7.423 -9.478 13.763 1.00 0.00 C ATOM 242 O ALA A 20 -6.282 -9.865 13.513 1.00 0.00 O ATOM 243 CB ALA A 20 -8.729 -7.451 13.098 1.00 0.00 C ATOM 0 H ALA A 20 -6.154 -7.003 13.075 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.102 -7.949 15.082 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.639 -8.049 13.147 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.958 -6.419 13.365 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.328 -7.484 12.085 1.00 0.00 H new ATOM 249 N ALA A 21 -8.474 -10.291 13.784 1.00 0.00 N ATOM 250 CA ALA A 21 -8.343 -11.716 13.506 1.00 0.00 C ATOM 251 C ALA A 21 -9.079 -12.096 12.226 1.00 0.00 C ATOM 252 O ALA A 21 -10.062 -11.458 11.852 1.00 0.00 O ATOM 253 CB ALA A 21 -8.865 -12.533 14.679 1.00 0.00 C ATOM 0 H ALA A 21 -9.426 -9.987 13.991 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.285 -11.937 13.365 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.761 -13.595 14.458 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.292 -12.291 15.574 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.916 -12.299 14.847 1.00 0.00 H new ATOM 259 N GLU A 22 -8.595 -13.139 11.558 1.00 0.00 N ATOM 260 CA GLU A 22 -9.208 -13.602 10.318 1.00 0.00 C ATOM 261 C GLU A 22 -10.730 -13.571 10.419 1.00 0.00 C ATOM 262 O GLU A 22 -11.314 -14.133 11.344 1.00 0.00 O ATOM 263 CB GLU A 22 -8.737 -15.020 9.988 1.00 0.00 C ATOM 264 CG GLU A 22 -7.414 -15.063 9.241 1.00 0.00 C ATOM 265 CD GLU A 22 -6.832 -16.461 9.167 1.00 0.00 C ATOM 266 OE1 GLU A 22 -7.063 -17.250 10.107 1.00 0.00 O ATOM 267 OE2 GLU A 22 -6.145 -16.766 8.170 1.00 0.00 O ATOM 0 H GLU A 22 -7.782 -13.678 11.854 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.900 -12.929 9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.640 -15.587 10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.500 -15.517 9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.559 -14.680 8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.701 -14.402 9.734 1.00 0.00 H new ATOM 274 N GLY A 23 -11.368 -12.908 9.458 1.00 0.00 N ATOM 275 CA GLY A 23 -12.816 -12.814 9.457 1.00 0.00 C ATOM 276 C GLY A 23 -13.315 -11.530 10.089 1.00 0.00 C ATOM 277 O GLY A 23 -14.497 -11.201 9.995 1.00 0.00 O ATOM 0 H GLY A 23 -10.907 -12.435 8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.180 -12.876 8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.232 -13.666 9.995 1.00 0.00 H new ATOM 281 N LYS A 24 -12.412 -10.803 10.739 1.00 0.00 N ATOM 282 CA LYS A 24 -12.765 -9.548 11.391 1.00 0.00 C ATOM 283 C LYS A 24 -12.690 -8.384 10.408 1.00 0.00 C ATOM 284 O LYS A 24 -12.421 -8.578 9.223 1.00 0.00 O ATOM 285 CB LYS A 24 -11.836 -9.287 12.579 1.00 0.00 C ATOM 286 CG LYS A 24 -12.035 -10.257 13.731 1.00 0.00 C ATOM 287 CD LYS A 24 -13.328 -9.977 14.478 1.00 0.00 C ATOM 288 CE LYS A 24 -13.839 -11.220 15.192 1.00 0.00 C ATOM 289 NZ LYS A 24 -14.712 -12.046 14.313 1.00 0.00 N ATOM 0 H LYS A 24 -11.429 -11.062 10.828 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.790 -9.631 11.751 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.802 -9.345 12.240 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.997 -8.271 12.939 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.048 -11.278 13.350 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.193 -10.184 14.419 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.165 -9.180 15.204 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.084 -9.621 13.778 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.993 -11.819 15.529 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.395 -10.925 16.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.039 -12.883 14.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.533 -11.483 14.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.174 -12.350 13.476 1.00 0.00 H new ATOM 303 N GLU A 25 -12.928 -7.176 10.909 1.00 0.00 N ATOM 304 CA GLU A 25 -12.887 -5.982 10.073 1.00 0.00 C ATOM 305 C GLU A 25 -11.879 -4.972 10.616 1.00 0.00 C ATOM 306 O GLU A 25 -11.717 -4.832 11.829 1.00 0.00 O ATOM 307 CB GLU A 25 -14.273 -5.341 9.991 1.00 0.00 C ATOM 308 CG GLU A 25 -15.398 -6.345 9.803 1.00 0.00 C ATOM 309 CD GLU A 25 -15.718 -7.108 11.074 1.00 0.00 C ATOM 310 OE1 GLU A 25 -15.963 -6.457 12.111 1.00 0.00 O ATOM 311 OE2 GLU A 25 -15.723 -8.356 11.031 1.00 0.00 O ATOM 0 H GLU A 25 -13.151 -6.998 11.888 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.574 -6.281 9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.455 -4.771 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.288 -4.632 9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.292 -5.823 9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.123 -7.051 9.020 1.00 0.00 H new ATOM 318 N VAL A 26 -11.204 -4.272 9.710 1.00 0.00 N ATOM 319 CA VAL A 26 -10.213 -3.275 10.097 1.00 0.00 C ATOM 320 C VAL A 26 -10.446 -1.957 9.369 1.00 0.00 C ATOM 321 O VAL A 26 -10.432 -1.904 8.138 1.00 0.00 O ATOM 322 CB VAL A 26 -8.782 -3.764 9.805 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.768 -2.682 10.144 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.488 -5.042 10.577 1.00 0.00 C ATOM 0 H VAL A 26 -11.325 -4.377 8.703 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.324 -3.118 11.170 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.702 -3.983 8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.763 -3.046 9.931 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.968 -1.795 9.543 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.846 -2.429 11.201 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.473 -5.373 10.359 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.586 -4.852 11.646 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.194 -5.817 10.280 1.00 0.00 H new ATOM 334 N LEU A 27 -10.660 -0.893 10.136 1.00 0.00 N ATOM 335 CA LEU A 27 -10.896 0.428 9.564 1.00 0.00 C ATOM 336 C LEU A 27 -9.638 1.288 9.643 1.00 0.00 C ATOM 337 O LEU A 27 -9.231 1.713 10.725 1.00 0.00 O ATOM 338 CB LEU A 27 -12.049 1.122 10.291 1.00 0.00 C ATOM 339 CG LEU A 27 -12.166 2.631 10.076 1.00 0.00 C ATOM 340 CD1 LEU A 27 -12.889 2.930 8.772 1.00 0.00 C ATOM 341 CD2 LEU A 27 -12.885 3.282 11.249 1.00 0.00 C ATOM 0 H LEU A 27 -10.675 -0.920 11.156 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.161 0.300 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.983 0.657 9.976 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.944 0.934 11.360 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.161 3.049 10.014 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.963 4.009 8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.333 2.497 7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.890 2.499 8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.959 4.356 11.079 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.885 2.859 11.343 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.326 3.098 12.166 1.00 0.00 H new ATOM 353 N LEU A 28 -9.029 1.543 8.491 1.00 0.00 N ATOM 354 CA LEU A 28 -7.819 2.355 8.428 1.00 0.00 C ATOM 355 C LEU A 28 -8.162 3.840 8.367 1.00 0.00 C ATOM 356 O LEU A 28 -8.486 4.370 7.304 1.00 0.00 O ATOM 357 CB LEU A 28 -6.980 1.963 7.211 1.00 0.00 C ATOM 358 CG LEU A 28 -6.549 0.498 7.136 1.00 0.00 C ATOM 359 CD1 LEU A 28 -5.930 0.192 5.781 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.572 0.171 8.256 1.00 0.00 C ATOM 0 H LEU A 28 -9.353 1.199 7.587 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.241 2.172 9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.548 2.200 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.085 2.585 7.196 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.434 -0.127 7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.629 -0.855 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.660 0.386 4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.056 0.825 5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.276 -0.876 8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.689 0.804 8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.050 0.350 9.219 1.00 0.00 H new ATOM 372 N LEU A 29 -8.086 4.507 9.514 1.00 0.00 N ATOM 373 CA LEU A 29 -8.386 5.932 9.591 1.00 0.00 C ATOM 374 C LEU A 29 -7.234 6.762 9.034 1.00 0.00 C ATOM 375 O LEU A 29 -6.151 6.241 8.769 1.00 0.00 O ATOM 376 CB LEU A 29 -8.668 6.337 11.039 1.00 0.00 C ATOM 377 CG LEU A 29 -10.119 6.203 11.503 1.00 0.00 C ATOM 378 CD1 LEU A 29 -10.213 6.358 13.013 1.00 0.00 C ATOM 379 CD2 LEU A 29 -11.000 7.228 10.803 1.00 0.00 C ATOM 0 H LEU A 29 -7.819 4.084 10.403 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.273 6.124 8.987 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.041 5.731 11.693 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.359 7.374 11.172 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.475 5.207 11.238 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.253 6.260 13.325 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.615 5.585 13.496 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.839 7.340 13.302 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.029 7.118 11.145 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.646 8.232 11.036 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.957 7.069 9.725 1.00 0.00 H new ATOM 391 N VAL A 30 -7.475 8.058 8.860 1.00 0.00 N ATOM 392 CA VAL A 30 -6.457 8.962 8.338 1.00 0.00 C ATOM 393 C VAL A 30 -6.472 10.294 9.080 1.00 0.00 C ATOM 394 O VAL A 30 -7.493 10.693 9.640 1.00 0.00 O ATOM 395 CB VAL A 30 -6.656 9.222 6.833 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.357 9.692 6.196 1.00 0.00 C ATOM 397 CG2 VAL A 30 -7.177 7.972 6.141 1.00 0.00 C ATOM 0 H VAL A 30 -8.367 8.505 9.073 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.493 8.476 8.491 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.398 10.012 6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.517 9.871 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.031 10.616 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.591 8.927 6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.312 8.174 5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.461 7.160 6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.133 7.685 6.580 1.00 0.00 H new ATOM 407 N HIS A 31 -5.332 10.978 9.079 1.00 0.00 N ATOM 408 CA HIS A 31 -5.214 12.267 9.751 1.00 0.00 C ATOM 409 C HIS A 31 -4.362 13.231 8.931 1.00 0.00 C ATOM 410 O HIS A 31 -3.702 12.831 7.973 1.00 0.00 O ATOM 411 CB HIS A 31 -4.606 12.087 11.142 1.00 0.00 C ATOM 412 CG HIS A 31 -5.083 10.856 11.850 1.00 0.00 C ATOM 413 ND1 HIS A 31 -6.412 10.618 12.131 1.00 0.00 N ATOM 414 CD2 HIS A 31 -4.401 9.792 12.333 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.526 9.460 12.758 1.00 0.00 C ATOM 416 NE2 HIS A 31 -5.320 8.938 12.892 1.00 0.00 N ATOM 0 H HIS A 31 -4.478 10.661 8.621 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.214 12.689 9.852 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.520 12.047 11.053 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.844 12.960 11.749 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.186 11.238 11.892 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.332 9.642 12.287 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.448 9.016 13.102 1.00 0.00 H new ATOM 425 N ASN A 32 -4.381 14.504 9.315 1.00 0.00 N ATOM 426 CA ASN A 32 -3.611 15.525 8.614 1.00 0.00 C ATOM 427 C ASN A 32 -3.959 15.545 7.129 1.00 0.00 C ATOM 428 O ASN A 32 -3.136 15.920 6.292 1.00 0.00 O ATOM 429 CB ASN A 32 -2.112 15.277 8.795 1.00 0.00 C ATOM 430 CG ASN A 32 -1.603 15.769 10.136 1.00 0.00 C ATOM 431 OD1 ASN A 32 -2.078 16.775 10.662 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.630 15.059 10.695 1.00 0.00 N ATOM 0 H ASN A 32 -4.921 14.852 10.107 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.866 16.495 9.042 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.909 14.210 8.701 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.565 15.777 7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.246 15.341 11.597 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.266 14.231 10.223 1.00 0.00 H new ATOM 439 N LEU A 33 -5.183 15.141 6.808 1.00 0.00 N ATOM 440 CA LEU A 33 -5.641 15.113 5.424 1.00 0.00 C ATOM 441 C LEU A 33 -5.450 16.472 4.759 1.00 0.00 C ATOM 442 O LEU A 33 -5.317 17.501 5.422 1.00 0.00 O ATOM 443 CB LEU A 33 -7.114 14.705 5.361 1.00 0.00 C ATOM 444 CG LEU A 33 -7.394 13.202 5.325 1.00 0.00 C ATOM 445 CD1 LEU A 33 -8.869 12.927 5.575 1.00 0.00 C ATOM 446 CD2 LEU A 33 -6.958 12.611 3.992 1.00 0.00 C ATOM 0 H LEU A 33 -5.876 14.828 7.488 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.043 14.378 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.625 15.129 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.558 15.158 4.475 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.818 12.725 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.049 11.852 5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.151 13.315 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.466 13.416 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.164 11.541 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.507 13.093 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.889 12.775 3.853 1.00 0.00 H new ATOM 458 N PRO A 34 -5.436 16.479 3.418 1.00 0.00 N ATOM 459 CA PRO A 34 -5.264 17.705 2.634 1.00 0.00 C ATOM 460 C PRO A 34 -6.477 18.626 2.724 1.00 0.00 C ATOM 461 O PRO A 34 -7.481 18.284 3.348 1.00 0.00 O ATOM 462 CB PRO A 34 -5.089 17.191 1.203 1.00 0.00 C ATOM 463 CG PRO A 34 -5.777 15.870 1.189 1.00 0.00 C ATOM 464 CD PRO A 34 -5.588 15.289 2.563 1.00 0.00 C ATOM 0 HA PRO A 34 -4.426 18.303 2.992 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.532 17.876 0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.035 17.091 0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.836 15.984 0.956 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.352 15.217 0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.443 14.684 2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.710 14.645 2.610 1.00 0.00 H new ATOM 472 N GLN A 35 -6.376 19.793 2.097 1.00 0.00 N ATOM 473 CA GLN A 35 -7.465 20.762 2.107 1.00 0.00 C ATOM 474 C GLN A 35 -8.641 20.268 1.271 1.00 0.00 C ATOM 475 O GLN A 35 -9.771 20.191 1.754 1.00 0.00 O ATOM 476 CB GLN A 35 -6.980 22.113 1.579 1.00 0.00 C ATOM 477 CG GLN A 35 -6.505 22.067 0.136 1.00 0.00 C ATOM 478 CD GLN A 35 -5.734 23.309 -0.265 1.00 0.00 C ATOM 479 OE1 GLN A 35 -6.273 24.416 -0.263 1.00 0.00 O ATOM 480 NE2 GLN A 35 -4.464 23.131 -0.612 1.00 0.00 N ATOM 0 H GLN A 35 -5.551 20.090 1.576 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.800 20.883 3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.789 22.838 1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.165 22.469 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.873 21.190 -0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.366 21.950 -0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.058 22.195 -0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.895 23.930 -0.891 1.00 0.00 H new ATOM 489 N ASP A 36 -8.368 19.935 0.014 1.00 0.00 N ATOM 490 CA ASP A 36 -9.403 19.448 -0.890 1.00 0.00 C ATOM 491 C ASP A 36 -8.917 18.228 -1.665 1.00 0.00 C ATOM 492 O ASP A 36 -8.338 18.338 -2.747 1.00 0.00 O ATOM 493 CB ASP A 36 -9.821 20.552 -1.863 1.00 0.00 C ATOM 494 CG ASP A 36 -10.915 21.437 -1.298 1.00 0.00 C ATOM 495 OD1 ASP A 36 -11.088 21.450 -0.062 1.00 0.00 O ATOM 496 OD2 ASP A 36 -11.599 22.116 -2.093 1.00 0.00 O ATOM 0 H ASP A 36 -7.438 19.994 -0.402 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.266 19.156 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.953 21.164 -2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.166 20.101 -2.793 1.00 0.00 H new ATOM 501 N PRO A 37 -9.155 17.034 -1.101 1.00 0.00 N ATOM 502 CA PRO A 37 -8.749 15.770 -1.722 1.00 0.00 C ATOM 503 C PRO A 37 -9.562 15.451 -2.972 1.00 0.00 C ATOM 504 O PRO A 37 -10.642 14.866 -2.889 1.00 0.00 O ATOM 505 CB PRO A 37 -9.021 14.734 -0.628 1.00 0.00 C ATOM 506 CG PRO A 37 -10.087 15.345 0.215 1.00 0.00 C ATOM 507 CD PRO A 37 -9.839 16.828 0.186 1.00 0.00 C ATOM 0 HA PRO A 37 -7.712 15.795 -2.056 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.348 13.785 -1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.123 14.529 -0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.077 15.107 -0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.045 14.962 1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.770 17.392 0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.222 17.149 1.025 1.00 0.00 H new ATOM 515 N ARG A 38 -9.035 15.837 -4.129 1.00 0.00 N ATOM 516 CA ARG A 38 -9.713 15.592 -5.397 1.00 0.00 C ATOM 517 C ARG A 38 -10.254 14.167 -5.457 1.00 0.00 C ATOM 518 O ARG A 38 -11.312 13.918 -6.033 1.00 0.00 O ATOM 519 CB ARG A 38 -8.757 15.837 -6.566 1.00 0.00 C ATOM 520 CG ARG A 38 -9.457 16.259 -7.847 1.00 0.00 C ATOM 521 CD ARG A 38 -8.458 16.617 -8.936 1.00 0.00 C ATOM 522 NE ARG A 38 -9.058 16.570 -10.267 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.455 15.447 -10.854 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.316 14.284 -10.232 1.00 0.00 N ATOM 525 NH2 ARG A 38 -9.992 15.485 -12.067 1.00 0.00 N ATOM 0 H ARG A 38 -8.141 16.321 -4.215 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.552 16.284 -5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.040 16.608 -6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.188 14.927 -6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.101 15.451 -8.194 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.100 17.116 -7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.063 17.616 -8.751 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.614 15.928 -8.894 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.179 17.447 -10.773 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.903 14.250 -9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.622 13.423 -10.686 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.100 16.377 -12.549 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.297 14.622 -12.517 1.00 0.00 H new ATOM 539 N GLY A 39 -9.519 13.234 -4.859 1.00 0.00 N ATOM 540 CA GLY A 39 -9.940 11.846 -4.858 1.00 0.00 C ATOM 541 C GLY A 39 -8.948 10.939 -4.157 1.00 0.00 C ATOM 542 O GLY A 39 -7.739 11.163 -4.222 1.00 0.00 O ATOM 0 H GLY A 39 -8.639 13.415 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.911 11.764 -4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.072 11.509 -5.886 1.00 0.00 H new ATOM 546 N TYR A 40 -9.458 9.914 -3.484 1.00 0.00 N ATOM 547 CA TYR A 40 -8.608 8.973 -2.765 1.00 0.00 C ATOM 548 C TYR A 40 -8.291 7.755 -3.628 1.00 0.00 C ATOM 549 O TYR A 40 -9.091 7.353 -4.471 1.00 0.00 O ATOM 550 CB TYR A 40 -9.287 8.529 -1.468 1.00 0.00 C ATOM 551 CG TYR A 40 -9.969 9.655 -0.725 1.00 0.00 C ATOM 552 CD1 TYR A 40 -9.244 10.744 -0.257 1.00 0.00 C ATOM 553 CD2 TYR A 40 -11.338 9.631 -0.491 1.00 0.00 C ATOM 554 CE1 TYR A 40 -9.862 11.775 0.423 1.00 0.00 C ATOM 555 CE2 TYR A 40 -11.965 10.658 0.187 1.00 0.00 C ATOM 556 CZ TYR A 40 -11.223 11.728 0.643 1.00 0.00 C ATOM 557 OH TYR A 40 -11.843 12.754 1.318 1.00 0.00 O ATOM 0 H TYR A 40 -10.456 9.714 -3.421 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.673 9.479 -2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -10.023 7.759 -1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.542 8.073 -0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.178 10.785 -0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.922 8.795 -0.845 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.283 12.614 0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.031 10.624 0.359 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.368 12.387 2.060 1.00 0.00 H new ATOM 567 N ASN A 41 -7.116 7.174 -3.410 1.00 0.00 N ATOM 568 CA ASN A 41 -6.690 6.003 -4.168 1.00 0.00 C ATOM 569 C ASN A 41 -5.868 5.060 -3.295 1.00 0.00 C ATOM 570 O ASN A 41 -4.742 5.377 -2.911 1.00 0.00 O ATOM 571 CB ASN A 41 -5.873 6.428 -5.389 1.00 0.00 C ATOM 572 CG ASN A 41 -6.746 6.744 -6.588 1.00 0.00 C ATOM 573 OD1 ASN A 41 -7.105 5.854 -7.360 1.00 0.00 O ATOM 574 ND2 ASN A 41 -7.093 8.015 -6.749 1.00 0.00 N ATOM 0 H ASN A 41 -6.442 7.495 -2.715 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.582 5.474 -4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.277 7.305 -5.136 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.175 5.632 -5.651 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.680 8.287 -7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.772 8.719 -6.084 1.00 0.00 H new ATOM 581 N TRP A 42 -6.437 3.901 -2.986 1.00 0.00 N ATOM 582 CA TRP A 42 -5.757 2.911 -2.159 1.00 0.00 C ATOM 583 C TRP A 42 -5.058 1.867 -3.023 1.00 0.00 C ATOM 584 O TRP A 42 -5.487 1.585 -4.142 1.00 0.00 O ATOM 585 CB TRP A 42 -6.753 2.229 -1.220 1.00 0.00 C ATOM 586 CG TRP A 42 -7.167 3.091 -0.066 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.186 4.000 -0.047 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.571 3.126 1.235 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.259 4.598 1.188 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.280 4.079 1.993 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.509 2.444 1.835 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -6.959 4.366 3.317 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.191 2.730 3.149 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.914 3.683 3.878 1.00 0.00 C ATOM 0 H TRP A 42 -7.368 3.623 -3.296 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.003 3.428 -1.565 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.639 1.943 -1.787 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.310 1.310 -0.837 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.838 4.217 -0.880 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.933 5.313 1.461 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.947 1.706 1.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.514 5.101 3.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.371 2.210 3.622 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.641 3.883 4.904 1.00 0.00 H new ATOM 605 N TYR A 43 -3.979 1.297 -2.498 1.00 0.00 N ATOM 606 CA TYR A 43 -3.219 0.286 -3.224 1.00 0.00 C ATOM 607 C TYR A 43 -2.786 -0.842 -2.292 1.00 0.00 C ATOM 608 O TYR A 43 -2.797 -0.693 -1.070 1.00 0.00 O ATOM 609 CB TYR A 43 -1.993 0.916 -3.885 1.00 0.00 C ATOM 610 CG TYR A 43 -2.324 2.084 -4.786 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.487 3.363 -4.267 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.475 1.909 -6.156 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.791 4.433 -5.086 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.777 2.974 -6.983 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.934 4.234 -6.444 1.00 0.00 C ATOM 616 OH TYR A 43 -3.236 5.296 -7.264 1.00 0.00 O ATOM 0 H TYR A 43 -3.611 1.518 -1.573 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.864 -0.132 -3.997 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.304 1.250 -3.109 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.473 0.155 -4.467 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.374 3.523 -3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.354 0.924 -6.582 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.916 5.420 -4.666 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.890 2.821 -8.046 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.301 4.985 -8.191 1.00 0.00 H new ATOM 626 N LYS A 44 -2.402 -1.971 -2.879 1.00 0.00 N ATOM 627 CA LYS A 44 -1.962 -3.125 -2.104 1.00 0.00 C ATOM 628 C LYS A 44 -0.444 -3.263 -2.149 1.00 0.00 C ATOM 629 O LYS A 44 0.120 -3.700 -3.151 1.00 0.00 O ATOM 630 CB LYS A 44 -2.617 -4.402 -2.637 1.00 0.00 C ATOM 631 CG LYS A 44 -2.629 -5.543 -1.634 1.00 0.00 C ATOM 632 CD LYS A 44 -3.822 -6.459 -1.846 1.00 0.00 C ATOM 633 CE LYS A 44 -3.604 -7.394 -3.026 1.00 0.00 C ATOM 634 NZ LYS A 44 -2.681 -8.511 -2.685 1.00 0.00 N ATOM 0 H LYS A 44 -2.387 -2.111 -3.889 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.265 -2.973 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.642 -4.178 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.089 -4.724 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.707 -6.118 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.655 -5.139 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.997 -7.045 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.717 -5.860 -2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.562 -7.801 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.197 -6.830 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.651 -9.189 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.727 -8.134 -2.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.020 -8.992 -1.827 1.00 0.00 H new ATOM 648 N GLY A 45 0.213 -2.889 -1.055 1.00 0.00 N ATOM 649 CA GLY A 45 1.659 -2.980 -0.990 1.00 0.00 C ATOM 650 C GLY A 45 2.311 -1.649 -0.670 1.00 0.00 C ATOM 651 O GLY A 45 1.718 -0.808 0.005 1.00 0.00 O ATOM 0 H GLY A 45 -0.231 -2.524 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.940 -3.710 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.040 -3.348 -1.943 1.00 0.00 H new ATOM 655 N GLU A 46 3.534 -1.459 -1.153 1.00 0.00 N ATOM 656 CA GLU A 46 4.267 -0.222 -0.911 1.00 0.00 C ATOM 657 C GLU A 46 4.542 0.512 -2.220 1.00 0.00 C ATOM 658 O GLU A 46 5.565 1.183 -2.367 1.00 0.00 O ATOM 659 CB GLU A 46 5.585 -0.515 -0.191 1.00 0.00 C ATOM 660 CG GLU A 46 5.412 -0.860 1.279 1.00 0.00 C ATOM 661 CD GLU A 46 6.619 -0.478 2.113 1.00 0.00 C ATOM 662 OE1 GLU A 46 7.696 -1.075 1.906 1.00 0.00 O ATOM 663 OE2 GLU A 46 6.486 0.418 2.973 1.00 0.00 O ATOM 0 H GLU A 46 4.038 -2.145 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 46 3.651 0.417 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.087 -1.342 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.237 0.354 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.531 -0.350 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.230 -1.930 1.378 1.00 0.00 H new ATOM 670 N THR A 47 3.622 0.380 -3.171 1.00 0.00 N ATOM 671 CA THR A 47 3.765 1.028 -4.469 1.00 0.00 C ATOM 672 C THR A 47 2.423 1.538 -4.979 1.00 0.00 C ATOM 673 O THR A 47 1.386 0.909 -4.767 1.00 0.00 O ATOM 674 CB THR A 47 4.367 0.068 -5.512 1.00 0.00 C ATOM 675 OG1 THR A 47 3.684 -1.190 -5.473 1.00 0.00 O ATOM 676 CG2 THR A 47 5.852 -0.147 -5.258 1.00 0.00 C ATOM 0 H THR A 47 2.770 -0.170 -3.066 1.00 0.00 H new ATOM 0 HA THR A 47 4.441 1.871 -4.329 1.00 0.00 H new ATOM 0 HB THR A 47 4.245 0.517 -6.498 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.072 -1.794 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.254 -0.829 -6.007 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.374 0.808 -5.319 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.993 -0.575 -4.265 1.00 0.00 H new ATOM 684 N VAL A 48 2.449 2.683 -5.655 1.00 0.00 N ATOM 685 CA VAL A 48 1.233 3.278 -6.198 1.00 0.00 C ATOM 686 C VAL A 48 1.028 2.876 -7.654 1.00 0.00 C ATOM 687 O VAL A 48 0.861 3.729 -8.526 1.00 0.00 O ATOM 688 CB VAL A 48 1.269 4.815 -6.100 1.00 0.00 C ATOM 689 CG1 VAL A 48 -0.011 5.415 -6.663 1.00 0.00 C ATOM 690 CG2 VAL A 48 1.484 5.252 -4.660 1.00 0.00 C ATOM 0 H VAL A 48 3.298 3.217 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 48 0.402 2.903 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 48 2.106 5.181 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.032 6.501 -6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.117 5.130 -7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.866 5.044 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.507 6.341 -4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.669 4.877 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.430 4.852 -4.296 1.00 0.00 H new ATOM 700 N ASP A 49 1.041 1.573 -7.909 1.00 0.00 N ATOM 701 CA ASP A 49 0.854 1.057 -9.261 1.00 0.00 C ATOM 702 C ASP A 49 -0.548 0.480 -9.433 1.00 0.00 C ATOM 703 O ASP A 49 -1.097 -0.128 -8.515 1.00 0.00 O ATOM 704 CB ASP A 49 1.901 -0.015 -9.569 1.00 0.00 C ATOM 705 CG ASP A 49 3.154 0.564 -10.196 1.00 0.00 C ATOM 706 OD1 ASP A 49 3.067 1.080 -11.330 1.00 0.00 O ATOM 707 OD2 ASP A 49 4.222 0.503 -9.552 1.00 0.00 O ATOM 0 H ASP A 49 1.179 0.854 -7.198 1.00 0.00 H new ATOM 0 HA ASP A 49 0.975 1.885 -9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.166 -0.535 -8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.471 -0.757 -10.242 1.00 0.00 H new ATOM 712 N ALA A 50 -1.121 0.677 -10.616 1.00 0.00 N ATOM 713 CA ALA A 50 -2.458 0.176 -10.910 1.00 0.00 C ATOM 714 C ALA A 50 -2.519 -1.341 -10.768 1.00 0.00 C ATOM 715 O ALA A 50 -3.519 -1.891 -10.307 1.00 0.00 O ATOM 716 CB ALA A 50 -2.883 0.594 -12.309 1.00 0.00 C ATOM 0 H ALA A 50 -0.680 1.180 -11.386 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.149 0.611 -10.188 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.883 0.213 -12.515 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.888 1.682 -12.378 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.183 0.187 -13.039 1.00 0.00 H new ATOM 722 N ASN A 51 -1.444 -2.012 -11.168 1.00 0.00 N ATOM 723 CA ASN A 51 -1.377 -3.467 -11.086 1.00 0.00 C ATOM 724 C ASN A 51 -1.605 -3.943 -9.654 1.00 0.00 C ATOM 725 O ASN A 51 -1.832 -5.128 -9.412 1.00 0.00 O ATOM 726 CB ASN A 51 -0.021 -3.965 -11.590 1.00 0.00 C ATOM 727 CG ASN A 51 0.052 -4.010 -13.105 1.00 0.00 C ATOM 728 OD1 ASN A 51 -0.933 -4.320 -13.775 1.00 0.00 O ATOM 729 ND2 ASN A 51 1.222 -3.700 -13.650 1.00 0.00 N ATOM 0 H ASN A 51 -0.608 -1.572 -11.552 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.165 -3.878 -11.717 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.766 -3.314 -11.210 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.169 -4.961 -11.190 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.332 -3.713 -14.664 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.011 -3.449 -13.055 1.00 0.00 H new ATOM 736 N ARG A 52 -1.544 -3.010 -8.710 1.00 0.00 N ATOM 737 CA ARG A 52 -1.743 -3.333 -7.302 1.00 0.00 C ATOM 738 C ARG A 52 -2.847 -2.470 -6.697 1.00 0.00 C ATOM 739 O ARG A 52 -3.192 -2.619 -5.525 1.00 0.00 O ATOM 740 CB ARG A 52 -0.442 -3.136 -6.523 1.00 0.00 C ATOM 741 CG ARG A 52 0.789 -3.648 -7.253 1.00 0.00 C ATOM 742 CD ARG A 52 0.811 -5.167 -7.312 1.00 0.00 C ATOM 743 NE ARG A 52 2.172 -5.694 -7.347 1.00 0.00 N ATOM 744 CZ ARG A 52 2.459 -6.981 -7.509 1.00 0.00 C ATOM 745 NH1 ARG A 52 1.483 -7.868 -7.649 1.00 0.00 N ATOM 746 NH2 ARG A 52 3.723 -7.383 -7.530 1.00 0.00 N ATOM 0 H ARG A 52 -1.358 -2.024 -8.894 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.044 -4.378 -7.234 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.313 -2.075 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.523 -3.646 -5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.808 -3.243 -8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.687 -3.289 -6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.288 -5.571 -6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.269 -5.503 -8.196 1.00 0.00 H new ATOM 0 HE ARG A 52 2.946 -5.038 -7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.510 -7.562 -7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.705 -8.856 -7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.476 -6.704 -7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.942 -8.371 -7.654 1.00 0.00 H new ATOM 760 N ARG A 53 -3.396 -1.568 -7.505 1.00 0.00 N ATOM 761 CA ARG A 53 -4.458 -0.681 -7.049 1.00 0.00 C ATOM 762 C ARG A 53 -5.640 -1.480 -6.509 1.00 0.00 C ATOM 763 O ARG A 53 -6.108 -2.424 -7.147 1.00 0.00 O ATOM 764 CB ARG A 53 -4.921 0.225 -8.191 1.00 0.00 C ATOM 765 CG ARG A 53 -6.177 1.018 -7.870 1.00 0.00 C ATOM 766 CD ARG A 53 -6.317 2.232 -8.774 1.00 0.00 C ATOM 767 NE ARG A 53 -6.976 1.903 -10.035 1.00 0.00 N ATOM 768 CZ ARG A 53 -7.448 2.815 -10.877 1.00 0.00 C ATOM 769 NH1 ARG A 53 -7.334 4.106 -10.595 1.00 0.00 N ATOM 770 NH2 ARG A 53 -8.036 2.437 -12.005 1.00 0.00 N ATOM 0 H ARG A 53 -3.122 -1.433 -8.478 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.060 -0.064 -6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.118 0.918 -8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.103 -0.385 -9.076 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.052 0.377 -7.982 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.149 1.340 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.887 3.004 -8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.330 2.647 -8.978 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.079 0.919 -10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.883 4.401 -9.729 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.698 4.804 -11.244 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.126 1.445 -12.226 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.398 3.138 -12.651 1.00 0.00 H new ATOM 784 N ILE A 54 -6.118 -1.097 -5.330 1.00 0.00 N ATOM 785 CA ILE A 54 -7.246 -1.778 -4.705 1.00 0.00 C ATOM 786 C ILE A 54 -8.567 -1.127 -5.098 1.00 0.00 C ATOM 787 O ILE A 54 -9.478 -1.796 -5.589 1.00 0.00 O ATOM 788 CB ILE A 54 -7.123 -1.777 -3.170 1.00 0.00 C ATOM 789 CG1 ILE A 54 -5.775 -2.363 -2.744 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.269 -2.560 -2.546 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.392 -2.024 -1.320 1.00 0.00 C ATOM 0 H ILE A 54 -5.742 -0.319 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.231 -2.808 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.178 -0.747 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.808 -3.447 -2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.000 -1.997 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.168 -2.550 -1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.218 -2.102 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.243 -3.589 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.426 -2.472 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.327 -0.942 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.147 -2.414 -0.637 1.00 0.00 H new ATOM 803 N ILE A 55 -8.664 0.180 -4.882 1.00 0.00 N ATOM 804 CA ILE A 55 -9.874 0.922 -5.217 1.00 0.00 C ATOM 805 C ILE A 55 -9.622 2.426 -5.191 1.00 0.00 C ATOM 806 O ILE A 55 -8.892 2.928 -4.337 1.00 0.00 O ATOM 807 CB ILE A 55 -11.025 0.588 -4.250 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.361 1.049 -4.835 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.782 1.236 -2.895 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.539 0.215 -4.381 1.00 0.00 C ATOM 0 H ILE A 55 -7.920 0.748 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.159 0.622 -6.225 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.064 -0.493 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.532 2.088 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.302 1.018 -5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.604 0.991 -2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.847 0.864 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.721 2.318 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.453 0.599 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.390 -0.821 -4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.624 0.266 -3.295 1.00 0.00 H new ATOM 822 N GLY A 56 -10.233 3.140 -6.131 1.00 0.00 N ATOM 823 CA GLY A 56 -10.064 4.579 -6.197 1.00 0.00 C ATOM 824 C GLY A 56 -11.388 5.316 -6.262 1.00 0.00 C ATOM 825 O GLY A 56 -12.311 4.887 -6.954 1.00 0.00 O ATOM 0 H GLY A 56 -10.842 2.747 -6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.506 4.917 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.467 4.832 -7.074 1.00 0.00 H new ATOM 829 N TYR A 57 -11.481 6.426 -5.538 1.00 0.00 N ATOM 830 CA TYR A 57 -12.702 7.222 -5.513 1.00 0.00 C ATOM 831 C TYR A 57 -12.404 8.687 -5.816 1.00 0.00 C ATOM 832 O TYR A 57 -11.446 9.259 -5.296 1.00 0.00 O ATOM 833 CB TYR A 57 -13.388 7.100 -4.151 1.00 0.00 C ATOM 834 CG TYR A 57 -14.436 8.161 -3.904 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.645 8.144 -4.590 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.219 9.181 -2.986 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.606 9.112 -4.368 1.00 0.00 C ATOM 838 CE2 TYR A 57 -15.174 10.151 -2.756 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.366 10.113 -3.450 1.00 0.00 C ATOM 840 OH TYR A 57 -17.320 11.079 -3.225 1.00 0.00 O ATOM 0 H TYR A 57 -10.725 6.795 -4.961 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.370 6.839 -6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.853 6.117 -4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.633 7.157 -3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.837 7.361 -5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.286 9.216 -2.443 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.540 9.085 -4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -14.989 10.935 -2.037 1.00 0.00 H new ATOM 0 HH TYR A 57 -16.994 11.709 -2.549 1.00 0.00 H new ATOM 850 N VAL A 58 -13.234 9.290 -6.662 1.00 0.00 N ATOM 851 CA VAL A 58 -13.062 10.689 -7.035 1.00 0.00 C ATOM 852 C VAL A 58 -14.218 11.541 -6.522 1.00 0.00 C ATOM 853 O VAL A 58 -15.358 11.386 -6.960 1.00 0.00 O ATOM 854 CB VAL A 58 -12.955 10.855 -8.562 1.00 0.00 C ATOM 855 CG1 VAL A 58 -12.369 12.214 -8.913 1.00 0.00 C ATOM 856 CG2 VAL A 58 -12.119 9.734 -9.162 1.00 0.00 C ATOM 0 H VAL A 58 -14.032 8.831 -7.102 1.00 0.00 H new ATOM 0 HA VAL A 58 -12.133 11.026 -6.575 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.957 10.798 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.301 12.312 -9.996 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.011 13.001 -8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.374 12.305 -8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.054 9.867 -10.242 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.118 9.757 -8.732 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.586 8.774 -8.942 1.00 0.00 H new ATOM 866 N ILE A 59 -13.916 12.440 -5.591 1.00 0.00 N ATOM 867 CA ILE A 59 -14.931 13.317 -5.020 1.00 0.00 C ATOM 868 C ILE A 59 -15.474 14.284 -6.067 1.00 0.00 C ATOM 869 O ILE A 59 -16.671 14.568 -6.102 1.00 0.00 O ATOM 870 CB ILE A 59 -14.373 14.124 -3.833 1.00 0.00 C ATOM 871 CG1 ILE A 59 -14.028 13.191 -2.670 1.00 0.00 C ATOM 872 CG2 ILE A 59 -15.376 15.180 -3.392 1.00 0.00 C ATOM 873 CD1 ILE A 59 -12.922 13.715 -1.782 1.00 0.00 C ATOM 0 H ILE A 59 -12.978 12.580 -5.216 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.739 12.677 -4.666 1.00 0.00 H new ATOM 0 HB ILE A 59 -13.461 14.628 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -14.922 13.030 -2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -13.733 12.220 -3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.967 15.742 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.577 15.860 -4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.304 14.696 -3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -12.731 13.002 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.015 13.849 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.222 14.672 -1.354 1.00 0.00 H new ATOM 885 N SER A 60 -14.586 14.785 -6.920 1.00 0.00 N ATOM 886 CA SER A 60 -14.976 15.721 -7.967 1.00 0.00 C ATOM 887 C SER A 60 -16.280 15.284 -8.629 1.00 0.00 C ATOM 888 O SER A 60 -17.260 16.027 -8.645 1.00 0.00 O ATOM 889 CB SER A 60 -13.870 15.833 -9.018 1.00 0.00 C ATOM 890 OG SER A 60 -14.104 16.925 -9.890 1.00 0.00 O ATOM 0 H SER A 60 -13.592 14.558 -6.906 1.00 0.00 H new ATOM 0 HA SER A 60 -15.131 16.697 -7.508 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.906 15.958 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.816 14.909 -9.594 1.00 0.00 H new ATOM 0 HG SER A 60 -13.382 16.976 -10.551 1.00 0.00 H new ATOM 896 N ASN A 61 -16.281 14.072 -9.175 1.00 0.00 N ATOM 897 CA ASN A 61 -17.463 13.535 -9.839 1.00 0.00 C ATOM 898 C ASN A 61 -18.090 12.416 -9.013 1.00 0.00 C ATOM 899 O ASN A 61 -19.050 11.778 -9.443 1.00 0.00 O ATOM 900 CB ASN A 61 -17.099 13.014 -11.231 1.00 0.00 C ATOM 901 CG ASN A 61 -16.118 11.859 -11.177 1.00 0.00 C ATOM 902 OD1 ASN A 61 -15.935 11.234 -10.133 1.00 0.00 O ATOM 903 ND2 ASN A 61 -15.480 11.572 -12.306 1.00 0.00 N ATOM 0 H ASN A 61 -15.477 13.444 -9.171 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.191 14.340 -9.938 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -18.005 12.694 -11.745 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -16.669 13.825 -11.819 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.807 10.806 -12.331 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.663 12.117 -13.148 1.00 0.00 H new ATOM 910 N GLN A 62 -17.540 12.185 -7.825 1.00 0.00 N ATOM 911 CA GLN A 62 -18.045 11.143 -6.939 1.00 0.00 C ATOM 912 C GLN A 62 -18.127 9.804 -7.665 1.00 0.00 C ATOM 913 O GLN A 62 -19.151 9.124 -7.617 1.00 0.00 O ATOM 914 CB GLN A 62 -19.423 11.528 -6.398 1.00 0.00 C ATOM 915 CG GLN A 62 -19.376 12.606 -5.326 1.00 0.00 C ATOM 916 CD GLN A 62 -20.720 12.822 -4.658 1.00 0.00 C ATOM 917 OE1 GLN A 62 -21.683 12.105 -4.928 1.00 0.00 O ATOM 918 NE2 GLN A 62 -20.790 13.815 -3.778 1.00 0.00 N ATOM 0 H GLN A 62 -16.745 12.705 -7.454 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.350 11.042 -6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.044 11.875 -7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -19.904 10.640 -5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.639 12.331 -4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.041 13.543 -5.772 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -19.966 14.384 -3.585 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.668 14.008 -3.295 1.00 0.00 H new ATOM 927 N GLN A 63 -17.041 9.433 -8.335 1.00 0.00 N ATOM 928 CA GLN A 63 -16.992 8.175 -9.072 1.00 0.00 C ATOM 929 C GLN A 63 -16.079 7.172 -8.375 1.00 0.00 C ATOM 930 O GLN A 63 -15.139 7.554 -7.677 1.00 0.00 O ATOM 931 CB GLN A 63 -16.506 8.416 -10.502 1.00 0.00 C ATOM 932 CG GLN A 63 -16.553 7.175 -11.378 1.00 0.00 C ATOM 933 CD GLN A 63 -15.901 7.389 -12.729 1.00 0.00 C ATOM 934 OE1 GLN A 63 -16.518 7.920 -13.653 1.00 0.00 O ATOM 935 NE2 GLN A 63 -14.645 6.975 -12.853 1.00 0.00 N ATOM 0 H GLN A 63 -16.184 9.984 -8.383 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.000 7.761 -9.103 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.117 9.196 -10.958 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.483 8.790 -10.471 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.054 6.353 -10.864 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -17.591 6.877 -11.523 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.171 6.540 -12.062 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -14.155 7.092 -13.740 1.00 0.00 H new ATOM 944 N ILE A 64 -16.363 5.888 -8.567 1.00 0.00 N ATOM 945 CA ILE A 64 -15.567 4.831 -7.957 1.00 0.00 C ATOM 946 C ILE A 64 -15.037 3.864 -9.011 1.00 0.00 C ATOM 947 O ILE A 64 -15.791 3.364 -9.847 1.00 0.00 O ATOM 948 CB ILE A 64 -16.383 4.041 -6.917 1.00 0.00 C ATOM 949 CG1 ILE A 64 -16.841 4.965 -5.787 1.00 0.00 C ATOM 950 CG2 ILE A 64 -15.560 2.887 -6.364 1.00 0.00 C ATOM 951 CD1 ILE A 64 -17.922 4.365 -4.915 1.00 0.00 C ATOM 0 H ILE A 64 -17.138 5.555 -9.140 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.728 5.316 -7.457 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.267 3.630 -7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -15.982 5.218 -5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -17.208 5.897 -6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.150 2.338 -5.630 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.279 2.218 -7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.661 3.277 -5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.197 5.076 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.797 4.138 -5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.552 3.448 -4.456 1.00 0.00 H new ATOM 963 N THR A 65 -13.734 3.603 -8.965 1.00 0.00 N ATOM 964 CA THR A 65 -13.102 2.696 -9.915 1.00 0.00 C ATOM 965 C THR A 65 -12.196 1.698 -9.202 1.00 0.00 C ATOM 966 O THR A 65 -11.047 1.991 -8.873 1.00 0.00 O ATOM 967 CB THR A 65 -12.276 3.466 -10.962 1.00 0.00 C ATOM 968 OG1 THR A 65 -13.077 4.489 -11.563 1.00 0.00 O ATOM 969 CG2 THR A 65 -11.755 2.525 -12.038 1.00 0.00 C ATOM 0 H THR A 65 -13.096 4.007 -8.280 1.00 0.00 H new ATOM 0 HA THR A 65 -13.904 2.158 -10.421 1.00 0.00 H new ATOM 0 HB THR A 65 -11.425 3.922 -10.457 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.544 4.975 -12.226 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.175 3.091 -12.766 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.121 1.765 -11.581 1.00 0.00 H new ATOM 0 HG23 THR A 65 -12.595 2.044 -12.539 1.00 0.00 H new ATOM 977 N PRO A 66 -12.723 0.489 -8.958 1.00 0.00 N ATOM 978 CA PRO A 66 -11.978 -0.578 -8.283 1.00 0.00 C ATOM 979 C PRO A 66 -10.852 -1.135 -9.148 1.00 0.00 C ATOM 980 O PRO A 66 -11.036 -1.384 -10.338 1.00 0.00 O ATOM 981 CB PRO A 66 -13.041 -1.650 -8.033 1.00 0.00 C ATOM 982 CG PRO A 66 -14.071 -1.415 -9.084 1.00 0.00 C ATOM 983 CD PRO A 66 -14.087 0.070 -9.322 1.00 0.00 C ATOM 0 HA PRO A 66 -11.490 -0.223 -7.375 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.619 -2.652 -8.110 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.467 -1.559 -7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.825 -1.954 -9.999 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.049 -1.769 -8.758 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.317 0.308 -10.361 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.838 0.567 -8.708 1.00 0.00 H new ATOM 991 N GLY A 67 -9.685 -1.328 -8.540 1.00 0.00 N ATOM 992 CA GLY A 67 -8.547 -1.855 -9.270 1.00 0.00 C ATOM 993 C GLY A 67 -8.565 -3.368 -9.359 1.00 0.00 C ATOM 994 O GLY A 67 -9.558 -4.019 -9.031 1.00 0.00 O ATOM 0 H GLY A 67 -9.508 -1.129 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.539 -1.435 -10.276 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.626 -1.534 -8.783 1.00 0.00 H new ATOM 998 N PRO A 68 -7.446 -3.951 -9.812 1.00 0.00 N ATOM 999 CA PRO A 68 -7.312 -5.404 -9.954 1.00 0.00 C ATOM 1000 C PRO A 68 -7.254 -6.116 -8.607 1.00 0.00 C ATOM 1001 O PRO A 68 -7.710 -7.251 -8.474 1.00 0.00 O ATOM 1002 CB PRO A 68 -5.986 -5.567 -10.703 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.211 -4.339 -10.371 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.224 -3.238 -10.221 1.00 0.00 C ATOM 0 HA PRO A 68 -8.166 -5.843 -10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.459 -6.466 -10.384 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.146 -5.656 -11.777 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.642 -4.474 -9.451 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.494 -4.105 -11.158 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.916 -2.508 -9.473 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.369 -2.696 -11.155 1.00 0.00 H new ATOM 1012 N ALA A 69 -6.690 -5.441 -7.611 1.00 0.00 N ATOM 1013 CA ALA A 69 -6.574 -6.008 -6.273 1.00 0.00 C ATOM 1014 C ALA A 69 -7.853 -5.787 -5.471 1.00 0.00 C ATOM 1015 O ALA A 69 -7.819 -5.696 -4.244 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.382 -5.405 -5.545 1.00 0.00 C ATOM 0 H ALA A 69 -6.306 -4.501 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.419 -7.082 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.308 -5.838 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.470 -5.618 -6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.513 -4.326 -5.464 1.00 0.00 H new ATOM 1022 N TYR A 70 -8.978 -5.701 -6.172 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.267 -5.488 -5.525 1.00 0.00 C ATOM 1024 C TYR A 70 -11.024 -6.803 -5.373 1.00 0.00 C ATOM 1025 O TYR A 70 -11.079 -7.612 -6.299 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.106 -4.493 -6.329 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.300 -3.958 -5.572 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.161 -3.440 -4.290 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -13.569 -3.969 -6.139 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.249 -2.951 -3.595 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -14.663 -3.480 -5.452 1.00 0.00 C ATOM 1032 CZ TYR A 70 -14.498 -2.973 -4.180 1.00 0.00 C ATOM 1033 OH TYR A 70 -15.585 -2.485 -3.491 1.00 0.00 O ATOM 0 H TYR A 70 -9.023 -5.776 -7.188 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.083 -5.079 -4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.474 -3.658 -6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.452 -4.977 -7.242 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.184 -3.420 -3.829 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.702 -4.367 -7.134 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.123 -2.553 -2.599 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.642 -3.495 -5.908 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.336 -2.326 -2.557 1.00 0.00 H new ATOM 1043 N SER A 71 -11.608 -7.010 -4.197 1.00 0.00 N ATOM 1044 CA SER A 71 -12.361 -8.228 -3.920 1.00 0.00 C ATOM 1045 C SER A 71 -13.786 -7.899 -3.486 1.00 0.00 C ATOM 1046 O SER A 71 -14.533 -8.777 -3.056 1.00 0.00 O ATOM 1047 CB SER A 71 -11.661 -9.049 -2.835 1.00 0.00 C ATOM 1048 OG SER A 71 -11.033 -8.207 -1.884 1.00 0.00 O ATOM 0 H SER A 71 -11.574 -6.350 -3.420 1.00 0.00 H new ATOM 0 HA SER A 71 -12.406 -8.815 -4.837 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.387 -9.690 -2.335 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.919 -9.704 -3.292 1.00 0.00 H new ATOM 0 HG SER A 71 -11.715 -7.705 -1.391 1.00 0.00 H new ATOM 1054 N ASN A 72 -14.155 -6.628 -3.602 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.490 -6.181 -3.221 1.00 0.00 C ATOM 1056 C ASN A 72 -15.710 -6.342 -1.720 1.00 0.00 C ATOM 1057 O ASN A 72 -16.842 -6.484 -1.260 1.00 0.00 O ATOM 1058 CB ASN A 72 -16.552 -6.969 -3.990 1.00 0.00 C ATOM 1059 CG ASN A 72 -16.279 -7.004 -5.482 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -15.227 -6.561 -5.942 1.00 0.00 O ATOM 1061 ND2 ASN A 72 -17.229 -7.533 -6.245 1.00 0.00 N ATOM 0 H ASN A 72 -13.548 -5.889 -3.957 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.578 -5.124 -3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.592 -7.989 -3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.531 -6.523 -3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.102 -7.584 -7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -18.086 -7.888 -5.820 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.618 -6.317 -0.962 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.691 -6.460 0.487 1.00 0.00 C ATOM 1070 C ARG A 73 -14.247 -5.176 1.183 1.00 0.00 C ATOM 1071 O ARG A 73 -14.479 -4.995 2.378 1.00 0.00 O ATOM 1072 CB ARG A 73 -13.822 -7.630 0.950 1.00 0.00 C ATOM 1073 CG ARG A 73 -14.296 -8.981 0.437 1.00 0.00 C ATOM 1074 CD ARG A 73 -13.569 -10.125 1.126 1.00 0.00 C ATOM 1075 NE ARG A 73 -12.211 -10.295 0.618 1.00 0.00 N ATOM 1076 CZ ARG A 73 -11.162 -9.624 1.082 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -11.316 -8.743 2.060 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -9.957 -9.835 0.568 1.00 0.00 N ATOM 0 H ARG A 73 -13.673 -6.199 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.729 -6.659 0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.797 -7.464 0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.805 -7.650 2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.369 -9.078 0.603 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.133 -9.040 -0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.534 -9.938 2.199 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.128 -11.049 0.982 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.059 -10.966 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.241 -8.579 2.458 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.510 -8.229 2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.835 -10.513 -0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.153 -9.319 0.925 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.607 -4.290 0.427 1.00 0.00 N ATOM 1093 CA GLU A 74 -13.129 -3.025 0.972 1.00 0.00 C ATOM 1094 C GLU A 74 -14.076 -1.884 0.610 1.00 0.00 C ATOM 1095 O GLU A 74 -14.841 -1.978 -0.351 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.723 -2.719 0.454 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.660 -3.669 0.980 1.00 0.00 C ATOM 1098 CD GLU A 74 -10.514 -4.913 0.125 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -9.877 -4.825 -0.945 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -11.036 -5.974 0.526 1.00 0.00 O ATOM 0 H GLU A 74 -13.408 -4.425 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.096 -3.116 2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.729 -2.761 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.457 -1.699 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.703 -3.149 1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.912 -3.961 2.000 1.00 0.00 H new ATOM 1107 N THR A 75 -14.019 -0.806 1.386 1.00 0.00 N ATOM 1108 CA THR A 75 -14.871 0.352 1.149 1.00 0.00 C ATOM 1109 C THR A 75 -14.166 1.644 1.547 1.00 0.00 C ATOM 1110 O THR A 75 -13.681 1.777 2.671 1.00 0.00 O ATOM 1111 CB THR A 75 -16.196 0.243 1.927 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.920 -0.918 1.502 1.00 0.00 O ATOM 1113 CG2 THR A 75 -17.051 1.484 1.717 1.00 0.00 C ATOM 0 H THR A 75 -13.391 -0.711 2.184 1.00 0.00 H new ATOM 0 HA THR A 75 -15.086 0.373 0.081 1.00 0.00 H new ATOM 0 HB THR A 75 -15.962 0.157 2.988 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.760 -0.981 2.002 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.981 1.384 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.510 2.363 2.068 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.275 1.596 0.656 1.00 0.00 H new ATOM 1121 N ILE A 76 -14.114 2.593 0.619 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.469 3.876 0.874 1.00 0.00 C ATOM 1123 C ILE A 76 -14.350 4.770 1.740 1.00 0.00 C ATOM 1124 O ILE A 76 -15.534 4.494 1.934 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.142 4.613 -0.438 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -12.907 3.608 -1.568 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -11.924 5.506 -0.254 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.157 3.277 -2.352 1.00 0.00 C ATOM 0 H ILE A 76 -14.510 2.498 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.540 3.663 1.402 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.991 5.241 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.156 4.009 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.498 2.689 -1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.705 6.020 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.126 6.241 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.067 4.897 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.915 2.559 -3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -14.903 2.847 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.555 4.186 -2.803 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.764 5.844 2.258 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.494 6.780 3.105 1.00 0.00 C ATOM 1142 C TYR A 77 -14.226 8.221 2.682 1.00 0.00 C ATOM 1143 O TYR A 77 -13.247 8.522 1.998 1.00 0.00 O ATOM 1144 CB TYR A 77 -14.104 6.586 4.571 1.00 0.00 C ATOM 1145 CG TYR A 77 -14.942 5.553 5.289 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.855 4.206 4.959 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.821 5.924 6.299 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.620 3.260 5.612 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.589 4.984 6.959 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.485 3.653 6.612 1.00 0.00 C ATOM 1151 OH TYR A 77 -17.248 2.713 7.266 1.00 0.00 O ATOM 0 H TYR A 77 -12.785 6.088 2.106 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.559 6.579 2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -13.056 6.291 4.623 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.194 7.540 5.091 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.177 3.894 4.178 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.905 6.965 6.573 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.541 2.217 5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.267 5.290 7.742 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.803 3.155 7.942 1.00 0.00 H new ATOM 1161 N PRO A 78 -15.115 9.134 3.098 1.00 0.00 N ATOM 1162 CA PRO A 78 -14.997 10.559 2.776 1.00 0.00 C ATOM 1163 C PRO A 78 -13.830 11.222 3.501 1.00 0.00 C ATOM 1164 O PRO A 78 -13.612 12.426 3.374 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.327 11.144 3.259 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.786 10.211 4.325 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.305 8.846 3.917 1.00 0.00 C ATOM 0 HA PRO A 78 -14.804 10.722 1.716 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.198 12.155 3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.051 11.204 2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.377 10.495 5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.872 10.230 4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.058 8.232 4.783 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -17.063 8.306 3.349 1.00 0.00 H new ATOM 1175 N ASN A 79 -13.082 10.427 4.259 1.00 0.00 N ATOM 1176 CA ASN A 79 -11.936 10.938 5.004 1.00 0.00 C ATOM 1177 C ASN A 79 -10.644 10.278 4.533 1.00 0.00 C ATOM 1178 O ASN A 79 -9.614 10.361 5.202 1.00 0.00 O ATOM 1179 CB ASN A 79 -12.128 10.698 6.503 1.00 0.00 C ATOM 1180 CG ASN A 79 -11.417 11.735 7.350 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -11.375 12.915 7.002 1.00 0.00 O ATOM 1182 ND2 ASN A 79 -10.851 11.297 8.469 1.00 0.00 N ATOM 0 H ASN A 79 -13.248 9.427 4.374 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.863 12.010 4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.193 10.710 6.737 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.756 9.706 6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.357 11.948 9.079 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.911 10.310 8.718 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.706 9.624 3.378 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.541 8.952 2.816 1.00 0.00 C ATOM 1191 C ALA A 80 -9.235 7.662 3.569 1.00 0.00 C ATOM 1192 O ALA A 80 -8.095 7.198 3.588 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.334 9.879 2.843 1.00 0.00 C ATOM 0 H ALA A 80 -11.551 9.545 2.813 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.765 8.694 1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.471 9.365 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.548 10.772 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.118 10.165 3.872 1.00 0.00 H new ATOM 1199 N SER A 81 -10.261 7.086 4.188 1.00 0.00 N ATOM 1200 CA SER A 81 -10.101 5.851 4.945 1.00 0.00 C ATOM 1201 C SER A 81 -10.685 4.666 4.183 1.00 0.00 C ATOM 1202 O SER A 81 -11.553 4.832 3.324 1.00 0.00 O ATOM 1203 CB SER A 81 -10.776 5.975 6.313 1.00 0.00 C ATOM 1204 OG SER A 81 -10.332 7.133 6.998 1.00 0.00 O ATOM 0 H SER A 81 -11.212 7.455 4.180 1.00 0.00 H new ATOM 0 HA SER A 81 -9.034 5.678 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.858 6.016 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.559 5.090 6.911 1.00 0.00 H new ATOM 0 HG SER A 81 -11.047 7.463 7.581 1.00 0.00 H new ATOM 1210 N LEU A 82 -10.205 3.469 4.502 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.678 2.254 3.848 1.00 0.00 C ATOM 1212 C LEU A 82 -11.026 1.182 4.876 1.00 0.00 C ATOM 1213 O LEU A 82 -10.212 0.847 5.738 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.618 1.726 2.881 1.00 0.00 C ATOM 1215 CG LEU A 82 -10.057 0.585 1.962 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.636 1.135 0.668 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.888 -0.346 1.672 1.00 0.00 C ATOM 0 H LEU A 82 -9.488 3.314 5.210 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.580 2.500 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.276 2.554 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.760 1.388 3.463 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.834 0.013 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.943 0.309 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.500 1.760 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.881 1.731 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.219 -1.152 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.090 0.213 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.518 -0.767 2.607 1.00 0.00 H new ATOM 1229 N LEU A 83 -12.237 0.647 4.778 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.692 -0.390 5.698 1.00 0.00 C ATOM 1231 C LEU A 83 -12.495 -1.778 5.095 1.00 0.00 C ATOM 1232 O LEU A 83 -13.068 -2.100 4.055 1.00 0.00 O ATOM 1233 CB LEU A 83 -14.166 -0.178 6.047 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.876 -1.361 6.707 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.554 -1.417 8.192 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.380 -1.270 6.489 1.00 0.00 C ATOM 0 H LEU A 83 -12.922 0.914 4.071 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.096 -0.321 6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.241 0.682 6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.702 0.078 5.133 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.516 -2.280 6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.068 -2.265 8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.478 -1.531 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.884 -0.495 8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.869 -2.120 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.755 -0.344 6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.594 -1.281 5.420 1.00 0.00 H new ATOM 1248 N MET A 84 -11.683 -2.595 5.758 1.00 0.00 N ATOM 1249 CA MET A 84 -11.413 -3.949 5.289 1.00 0.00 C ATOM 1250 C MET A 84 -12.239 -4.968 6.068 1.00 0.00 C ATOM 1251 O MET A 84 -11.998 -5.201 7.252 1.00 0.00 O ATOM 1252 CB MET A 84 -9.924 -4.271 5.424 1.00 0.00 C ATOM 1253 CG MET A 84 -9.417 -5.251 4.377 1.00 0.00 C ATOM 1254 SD MET A 84 -7.644 -5.098 4.085 1.00 0.00 S ATOM 1255 CE MET A 84 -7.561 -3.466 3.352 1.00 0.00 C ATOM 0 H MET A 84 -11.201 -2.343 6.621 1.00 0.00 H new ATOM 0 HA MET A 84 -11.695 -4.006 4.238 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.352 -3.346 5.351 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.738 -4.683 6.416 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.642 -6.268 4.698 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.951 -5.086 3.441 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.751 -2.901 3.813 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.377 -3.557 2.282 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.505 -2.946 3.515 1.00 0.00 H new ATOM 1265 N ARG A 85 -13.212 -5.573 5.395 1.00 0.00 N ATOM 1266 CA ARG A 85 -14.074 -6.566 6.025 1.00 0.00 C ATOM 1267 C ARG A 85 -13.560 -7.978 5.761 1.00 0.00 C ATOM 1268 O ARG A 85 -12.799 -8.206 4.821 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.508 -6.429 5.509 1.00 0.00 C ATOM 1270 CG ARG A 85 -16.225 -5.193 6.026 1.00 0.00 C ATOM 1271 CD ARG A 85 -17.643 -5.103 5.482 1.00 0.00 C ATOM 1272 NE ARG A 85 -18.567 -5.962 6.218 1.00 0.00 N ATOM 1273 CZ ARG A 85 -18.771 -7.242 5.926 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -18.120 -7.808 4.919 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -19.628 -7.958 6.642 1.00 0.00 N ATOM 0 H ARG A 85 -13.423 -5.393 4.413 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.064 -6.389 7.101 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.492 -6.400 4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.075 -7.315 5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.253 -5.216 7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.667 -4.301 5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.987 -4.070 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.646 -5.385 4.429 1.00 0.00 H new ATOM 0 HE ARG A 85 -19.084 -5.557 6.999 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -17.460 -7.261 4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.279 -8.791 4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -20.131 -7.526 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.784 -8.941 6.417 1.00 0.00 H new ATOM 1289 N ASN A 86 -13.981 -8.922 6.596 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.562 -10.311 6.453 1.00 0.00 C ATOM 1291 C ASN A 86 -12.089 -10.399 6.066 1.00 0.00 C ATOM 1292 O ASN A 86 -11.730 -11.066 5.096 1.00 0.00 O ATOM 1293 CB ASN A 86 -14.420 -11.019 5.403 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.726 -11.537 5.976 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -16.000 -11.379 7.165 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -16.538 -12.159 5.129 1.00 0.00 N ATOM 0 H ASN A 86 -14.612 -8.750 7.379 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.696 -10.805 7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.633 -10.329 4.587 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.857 -11.851 4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.430 -12.529 5.456 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.269 -12.267 4.151 1.00 0.00 H new ATOM 1303 N VAL A 87 -11.240 -9.719 6.831 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.806 -9.721 6.569 1.00 0.00 C ATOM 1305 C VAL A 87 -9.248 -11.139 6.576 1.00 0.00 C ATOM 1306 O VAL A 87 -9.946 -12.093 6.922 1.00 0.00 O ATOM 1307 CB VAL A 87 -9.045 -8.876 7.608 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.497 -7.425 7.551 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.238 -9.449 9.004 1.00 0.00 C ATOM 0 H VAL A 87 -11.521 -9.160 7.637 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.664 -9.283 5.581 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.982 -8.909 7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.948 -6.844 8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.302 -7.022 6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.565 -7.368 7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.694 -8.840 9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.299 -9.447 9.255 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.860 -10.471 9.033 1.00 0.00 H new ATOM 1319 N THR A 88 -7.982 -11.273 6.191 1.00 0.00 N ATOM 1320 CA THR A 88 -7.329 -12.576 6.151 1.00 0.00 C ATOM 1321 C THR A 88 -5.835 -12.450 6.426 1.00 0.00 C ATOM 1322 O THR A 88 -5.244 -11.389 6.225 1.00 0.00 O ATOM 1323 CB THR A 88 -7.533 -13.266 4.789 1.00 0.00 C ATOM 1324 OG1 THR A 88 -7.133 -12.388 3.731 1.00 0.00 O ATOM 1325 CG2 THR A 88 -8.987 -13.669 4.599 1.00 0.00 C ATOM 0 H THR A 88 -7.389 -10.495 5.903 1.00 0.00 H new ATOM 0 HA THR A 88 -7.789 -13.184 6.930 1.00 0.00 H new ATOM 0 HB THR A 88 -6.918 -14.166 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.264 -12.834 2.868 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.106 -14.154 3.630 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.279 -14.360 5.390 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.619 -12.782 4.641 1.00 0.00 H new ATOM 1333 N ARG A 89 -5.229 -13.540 6.887 1.00 0.00 N ATOM 1334 CA ARG A 89 -3.803 -13.550 7.189 1.00 0.00 C ATOM 1335 C ARG A 89 -2.989 -13.069 5.992 1.00 0.00 C ATOM 1336 O ARG A 89 -1.887 -12.546 6.148 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.356 -14.957 7.592 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.609 -16.006 6.521 1.00 0.00 C ATOM 1339 CD ARG A 89 -3.374 -17.411 7.052 1.00 0.00 C ATOM 1340 NE ARG A 89 -3.286 -18.395 5.976 1.00 0.00 N ATOM 1341 CZ ARG A 89 -3.110 -19.696 6.182 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -3.007 -20.167 7.417 1.00 0.00 N ATOM 1343 NH2 ARG A 89 -3.040 -20.528 5.151 1.00 0.00 N ATOM 0 H ARG A 89 -5.703 -14.426 7.059 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.629 -12.868 8.021 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.292 -14.938 7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.878 -15.248 8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.634 -15.919 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.954 -15.823 5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.454 -17.429 7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.185 -17.684 7.727 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.364 -18.065 5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.063 -19.530 8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.872 -21.166 7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.121 -20.169 4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.905 -21.526 5.310 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.541 -13.251 4.796 1.00 0.00 N ATOM 1358 CA ASN A 90 -2.866 -12.837 3.572 1.00 0.00 C ATOM 1359 C ASN A 90 -2.865 -11.317 3.438 1.00 0.00 C ATOM 1360 O ASN A 90 -1.860 -10.718 3.055 1.00 0.00 O ATOM 1361 CB ASN A 90 -3.543 -13.467 2.353 1.00 0.00 C ATOM 1362 CG ASN A 90 -2.734 -13.286 1.083 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -2.240 -12.194 0.800 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -2.594 -14.358 0.313 1.00 0.00 N ATOM 0 H ASN A 90 -4.454 -13.682 4.649 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.833 -13.180 3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.695 -14.531 2.535 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.529 -13.023 2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.059 -14.297 -0.553 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.021 -15.243 0.588 1.00 0.00 H new ATOM 1371 N ASP A 91 -3.998 -10.701 3.757 1.00 0.00 N ATOM 1372 CA ASP A 91 -4.129 -9.251 3.674 1.00 0.00 C ATOM 1373 C ASP A 91 -2.946 -8.560 4.345 1.00 0.00 C ATOM 1374 O ASP A 91 -2.462 -7.532 3.870 1.00 0.00 O ATOM 1375 CB ASP A 91 -5.437 -8.797 4.325 1.00 0.00 C ATOM 1376 CG ASP A 91 -6.629 -8.962 3.404 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -6.417 -9.150 2.188 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -7.775 -8.902 3.898 1.00 0.00 O ATOM 0 H ASP A 91 -4.839 -11.183 4.075 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.141 -8.972 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.604 -9.370 5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.350 -7.751 4.618 1.00 0.00 H new ATOM 1383 N THR A 92 -2.485 -9.130 5.454 1.00 0.00 N ATOM 1384 CA THR A 92 -1.361 -8.568 6.192 1.00 0.00 C ATOM 1385 C THR A 92 -0.201 -8.238 5.260 1.00 0.00 C ATOM 1386 O THR A 92 0.202 -9.061 4.439 1.00 0.00 O ATOM 1387 CB THR A 92 -0.867 -9.534 7.286 1.00 0.00 C ATOM 1388 OG1 THR A 92 -1.985 -10.124 7.958 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.012 -8.808 8.293 1.00 0.00 C ATOM 0 H THR A 92 -2.873 -9.981 5.861 1.00 0.00 H new ATOM 0 HA THR A 92 -1.718 -7.652 6.662 1.00 0.00 H new ATOM 0 HB THR A 92 -0.275 -10.316 6.810 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.194 -10.989 7.547 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.349 -9.511 9.055 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.877 -8.385 7.782 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.559 -8.008 8.764 1.00 0.00 H new ATOM 1397 N GLY A 93 0.334 -7.028 5.392 1.00 0.00 N ATOM 1398 CA GLY A 93 1.443 -6.611 4.555 1.00 0.00 C ATOM 1399 C GLY A 93 1.605 -5.105 4.514 1.00 0.00 C ATOM 1400 O GLY A 93 2.115 -4.502 5.458 1.00 0.00 O ATOM 0 H GLY A 93 0.019 -6.329 6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.363 -7.062 4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.290 -6.984 3.542 1.00 0.00 H new ATOM 1404 N SER A 94 1.171 -4.494 3.415 1.00 0.00 N ATOM 1405 CA SER A 94 1.275 -3.049 3.252 1.00 0.00 C ATOM 1406 C SER A 94 0.126 -2.514 2.404 1.00 0.00 C ATOM 1407 O SER A 94 -0.282 -3.139 1.425 1.00 0.00 O ATOM 1408 CB SER A 94 2.613 -2.682 2.608 1.00 0.00 C ATOM 1409 OG SER A 94 3.671 -2.765 3.547 1.00 0.00 O ATOM 0 H SER A 94 0.744 -4.978 2.625 1.00 0.00 H new ATOM 0 HA SER A 94 1.218 -2.592 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.813 -3.351 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.560 -1.671 2.203 1.00 0.00 H new ATOM 0 HG SER A 94 3.346 -3.188 4.369 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.393 -1.352 2.787 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.497 -0.733 2.064 1.00 0.00 C ATOM 1417 C TYR A 95 -1.238 0.754 1.844 1.00 0.00 C ATOM 1418 O TYR A 95 -1.500 1.579 2.720 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.808 -0.926 2.829 1.00 0.00 C ATOM 1420 CG TYR A 95 -3.401 -2.308 2.676 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -4.283 -2.596 1.642 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -3.080 -3.327 3.565 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -4.828 -3.857 1.497 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -3.619 -4.591 3.427 1.00 0.00 C ATOM 1425 CZ TYR A 95 -4.492 -4.851 2.392 1.00 0.00 C ATOM 1426 OH TYR A 95 -5.033 -6.109 2.253 1.00 0.00 O ATOM 0 H TYR A 95 -0.067 -0.820 3.594 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.577 -1.217 1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.634 -0.730 3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.532 -0.189 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.547 -1.820 0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.397 -3.127 4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.513 -4.063 0.688 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.358 -5.372 4.126 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.891 -6.150 2.724 1.00 0.00 H new ATOM 1436 N THR A 96 -0.722 1.091 0.666 1.00 0.00 N ATOM 1437 CA THR A 96 -0.427 2.477 0.329 1.00 0.00 C ATOM 1438 C THR A 96 -1.699 3.241 -0.021 1.00 0.00 C ATOM 1439 O THR A 96 -2.572 2.726 -0.720 1.00 0.00 O ATOM 1440 CB THR A 96 0.556 2.571 -0.854 1.00 0.00 C ATOM 1441 OG1 THR A 96 1.794 1.935 -0.513 1.00 0.00 O ATOM 1442 CG2 THR A 96 0.812 4.022 -1.231 1.00 0.00 C ATOM 0 H THR A 96 -0.500 0.422 -0.071 1.00 0.00 H new ATOM 0 HA THR A 96 0.032 2.925 1.210 1.00 0.00 H new ATOM 0 HB THR A 96 0.111 2.064 -1.710 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.633 0.987 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.509 4.063 -2.068 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.127 4.495 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.238 4.550 -0.378 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.797 4.472 0.468 1.00 0.00 N ATOM 1451 CA LEU A 97 -2.963 5.309 0.206 1.00 0.00 C ATOM 1452 C LEU A 97 -2.543 6.692 -0.281 1.00 0.00 C ATOM 1453 O LEU A 97 -1.979 7.482 0.476 1.00 0.00 O ATOM 1454 CB LEU A 97 -3.816 5.438 1.469 1.00 0.00 C ATOM 1455 CG LEU A 97 -4.911 6.506 1.434 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -4.332 7.874 1.756 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.597 6.521 0.075 1.00 0.00 C ATOM 0 H LEU A 97 -1.083 4.913 1.048 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.553 4.833 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.283 4.474 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.155 5.651 2.309 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.655 6.262 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.125 8.621 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.888 7.856 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.567 8.127 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.373 7.286 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.863 6.741 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.047 5.547 -0.116 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.823 6.977 -1.548 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.475 8.266 -2.136 1.00 0.00 C ATOM 1471 C GLN A 98 -3.692 9.184 -2.193 1.00 0.00 C ATOM 1472 O GLN A 98 -4.802 8.743 -2.490 1.00 0.00 O ATOM 1473 CB GLN A 98 -1.901 8.072 -3.540 1.00 0.00 C ATOM 1474 CG GLN A 98 -1.897 9.341 -4.377 1.00 0.00 C ATOM 1475 CD GLN A 98 -0.855 9.312 -5.477 1.00 0.00 C ATOM 1476 OE1 GLN A 98 0.246 9.840 -5.319 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -1.196 8.692 -6.600 1.00 0.00 N ATOM 0 H GLN A 98 -3.290 6.334 -2.187 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.719 8.733 -1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.881 7.698 -3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.480 7.307 -4.058 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.883 9.483 -4.820 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.712 10.198 -3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.119 8.268 -6.688 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.535 8.640 -7.375 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.475 10.464 -1.907 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.554 11.445 -1.928 1.00 0.00 C ATOM 1488 C VAL A 99 -4.257 12.568 -2.915 1.00 0.00 C ATOM 1489 O VAL A 99 -3.297 13.319 -2.746 1.00 0.00 O ATOM 1490 CB VAL A 99 -4.786 12.053 -0.531 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -5.918 13.068 -0.572 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -5.077 10.958 0.484 1.00 0.00 C ATOM 0 H VAL A 99 -2.562 10.846 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.455 10.918 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.877 12.570 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.067 13.487 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.665 13.868 -1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.834 12.578 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.238 11.405 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.970 10.411 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.231 10.272 0.532 1.00 0.00 H new ATOM 1502 N ILE A 100 -5.088 12.675 -3.947 1.00 0.00 N ATOM 1503 CA ILE A 100 -4.915 13.707 -4.961 1.00 0.00 C ATOM 1504 C ILE A 100 -5.648 14.987 -4.573 1.00 0.00 C ATOM 1505 O ILE A 100 -6.762 14.945 -4.052 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.423 13.236 -6.337 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.702 11.954 -6.759 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.226 14.328 -7.377 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -5.107 10.739 -5.953 1.00 0.00 C ATOM 0 H ILE A 100 -5.887 12.060 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.846 13.908 -5.027 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.489 13.023 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.903 11.764 -7.813 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.627 12.103 -6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.590 13.980 -8.344 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.781 15.218 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.166 14.570 -7.454 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.556 9.867 -6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.880 10.909 -4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.177 10.565 -6.070 1.00 0.00 H new ATOM 1521 N LYS A 101 -5.015 16.127 -4.833 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.607 17.421 -4.515 1.00 0.00 C ATOM 1523 C LYS A 101 -5.987 18.173 -5.786 1.00 0.00 C ATOM 1524 O LYS A 101 -5.413 17.942 -6.852 1.00 0.00 O ATOM 1525 CB LYS A 101 -4.632 18.260 -3.685 1.00 0.00 C ATOM 1526 CG LYS A 101 -4.075 17.527 -2.477 1.00 0.00 C ATOM 1527 CD LYS A 101 -3.140 18.412 -1.670 1.00 0.00 C ATOM 1528 CE LYS A 101 -1.836 18.665 -2.411 1.00 0.00 C ATOM 1529 NZ LYS A 101 -1.883 19.925 -3.203 1.00 0.00 N ATOM 0 H LYS A 101 -4.092 16.180 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.512 17.246 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.805 18.576 -4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.139 19.164 -3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.896 17.191 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.540 16.636 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.630 19.362 -1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.929 17.941 -0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.016 18.717 -1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.627 17.826 -3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.934 20.349 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.204 19.716 -4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.544 20.592 -2.756 1.00 0.00 H new ATOM 1543 N LEU A 102 -6.955 19.074 -5.668 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.411 19.862 -6.808 1.00 0.00 C ATOM 1545 C LEU A 102 -6.245 20.595 -7.464 1.00 0.00 C ATOM 1546 O LEU A 102 -6.365 21.097 -8.581 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.475 20.868 -6.365 1.00 0.00 C ATOM 1548 CG LEU A 102 -9.874 20.300 -6.120 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.705 20.359 -7.392 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -9.786 18.871 -5.604 1.00 0.00 C ATOM 0 H LEU A 102 -7.440 19.278 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.846 19.180 -7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.133 21.348 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.548 21.647 -7.124 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.365 20.910 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.697 19.951 -7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.797 21.395 -7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.218 19.774 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.790 18.483 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.275 18.249 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.229 18.856 -4.667 1.00 0.00 H new ATOM 1562 N ASN A 103 -5.117 20.649 -6.763 1.00 0.00 N ATOM 1563 CA ASN A 103 -3.928 21.318 -7.279 1.00 0.00 C ATOM 1564 C ASN A 103 -3.151 20.401 -8.218 1.00 0.00 C ATOM 1565 O ASN A 103 -1.971 20.627 -8.489 1.00 0.00 O ATOM 1566 CB ASN A 103 -3.029 21.766 -6.125 1.00 0.00 C ATOM 1567 CG ASN A 103 -1.988 22.779 -6.562 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -2.320 23.902 -6.940 1.00 0.00 O ATOM 1569 ND2 ASN A 103 -0.721 22.384 -6.513 1.00 0.00 N ATOM 0 H ASN A 103 -5.001 20.238 -5.837 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.250 22.194 -7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.644 22.199 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.529 20.896 -5.699 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.023 23.022 -6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.492 21.443 -6.193 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.821 19.365 -8.712 1.00 0.00 N ATOM 1577 CA LEU A 104 -3.194 18.413 -9.622 1.00 0.00 C ATOM 1578 C LEU A 104 -2.009 17.722 -8.956 1.00 0.00 C ATOM 1579 O LEU A 104 -1.092 17.253 -9.630 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.735 19.122 -10.897 1.00 0.00 C ATOM 1581 CG LEU A 104 -3.838 19.739 -11.757 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -3.245 20.413 -12.985 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -4.852 18.680 -12.165 1.00 0.00 C ATOM 0 H LEU A 104 -4.798 19.163 -8.498 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.934 17.655 -9.881 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.036 19.910 -10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.183 18.407 -11.507 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.352 20.497 -11.165 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.046 20.846 -13.585 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.559 21.200 -12.672 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.705 19.676 -13.579 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.630 19.137 -12.777 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.352 17.899 -12.738 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.302 18.244 -11.273 1.00 0.00 H new ATOM 1595 N MET A 105 -2.036 17.661 -7.628 1.00 0.00 N ATOM 1596 CA MET A 105 -0.965 17.024 -6.871 1.00 0.00 C ATOM 1597 C MET A 105 -1.481 15.798 -6.125 1.00 0.00 C ATOM 1598 O MET A 105 -2.679 15.515 -6.132 1.00 0.00 O ATOM 1599 CB MET A 105 -0.350 18.016 -5.882 1.00 0.00 C ATOM 1600 CG MET A 105 0.584 19.024 -6.532 1.00 0.00 C ATOM 1601 SD MET A 105 2.284 18.432 -6.629 1.00 0.00 S ATOM 1602 CE MET A 105 2.840 18.722 -4.951 1.00 0.00 C ATOM 0 H MET A 105 -2.787 18.045 -7.055 1.00 0.00 H new ATOM 0 HA MET A 105 -0.198 16.702 -7.576 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.151 18.552 -5.372 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.199 17.463 -5.120 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.225 19.252 -7.536 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.559 19.955 -5.965 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.875 19.065 -4.965 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.212 19.482 -4.486 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.772 17.796 -4.380 1.00 0.00 H new ATOM 1612 N SER A 106 -0.570 15.074 -5.483 1.00 0.00 N ATOM 1613 CA SER A 106 -0.934 13.876 -4.736 1.00 0.00 C ATOM 1614 C SER A 106 0.104 13.571 -3.660 1.00 0.00 C ATOM 1615 O SER A 106 1.268 13.950 -3.781 1.00 0.00 O ATOM 1616 CB SER A 106 -1.071 12.681 -5.681 1.00 0.00 C ATOM 1617 OG SER A 106 0.177 12.345 -6.263 1.00 0.00 O ATOM 0 H SER A 106 0.425 15.296 -5.465 1.00 0.00 H new ATOM 0 HA SER A 106 -1.893 14.058 -4.251 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.463 11.824 -5.134 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.791 12.915 -6.466 1.00 0.00 H new ATOM 0 HG SER A 106 0.515 11.519 -5.858 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.329 12.883 -2.607 1.00 0.00 N ATOM 1624 CA GLU A 107 0.563 12.528 -1.509 1.00 0.00 C ATOM 1625 C GLU A 107 0.736 11.015 -1.417 1.00 0.00 C ATOM 1626 O GLU A 107 0.193 10.267 -2.230 1.00 0.00 O ATOM 1627 CB GLU A 107 0.020 13.071 -0.186 1.00 0.00 C ATOM 1628 CG GLU A 107 -0.326 14.550 -0.231 1.00 0.00 C ATOM 1629 CD GLU A 107 -1.754 14.802 -0.675 1.00 0.00 C ATOM 1630 OE1 GLU A 107 -2.671 14.654 0.160 1.00 0.00 O ATOM 1631 OE2 GLU A 107 -1.955 15.147 -1.859 1.00 0.00 O ATOM 0 H GLU A 107 -1.290 12.561 -2.492 1.00 0.00 H new ATOM 0 HA GLU A 107 1.537 12.977 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.870 12.506 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.760 12.903 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.175 14.985 0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.357 15.059 -0.911 1.00 0.00 H new ATOM 1638 N GLU A 108 1.498 10.571 -0.422 1.00 0.00 N ATOM 1639 CA GLU A 108 1.744 9.148 -0.225 1.00 0.00 C ATOM 1640 C GLU A 108 1.814 8.808 1.261 1.00 0.00 C ATOM 1641 O GLU A 108 2.437 9.525 2.045 1.00 0.00 O ATOM 1642 CB GLU A 108 3.045 8.732 -0.916 1.00 0.00 C ATOM 1643 CG GLU A 108 2.870 8.383 -2.384 1.00 0.00 C ATOM 1644 CD GLU A 108 4.109 8.679 -3.206 1.00 0.00 C ATOM 1645 OE1 GLU A 108 4.720 9.748 -2.993 1.00 0.00 O ATOM 1646 OE2 GLU A 108 4.467 7.844 -4.062 1.00 0.00 O ATOM 0 H GLU A 108 1.955 11.177 0.260 1.00 0.00 H new ATOM 0 HA GLU A 108 0.914 8.598 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.769 9.542 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.465 7.872 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.622 7.325 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.028 8.944 -2.789 1.00 0.00 H new ATOM 1653 N VAL A 109 1.168 7.710 1.642 1.00 0.00 N ATOM 1654 CA VAL A 109 1.157 7.274 3.033 1.00 0.00 C ATOM 1655 C VAL A 109 0.816 5.792 3.142 1.00 0.00 C ATOM 1656 O VAL A 109 -0.295 5.373 2.817 1.00 0.00 O ATOM 1657 CB VAL A 109 0.146 8.084 3.867 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.188 8.182 3.142 1.00 0.00 C ATOM 1659 CG2 VAL A 109 -0.030 7.461 5.243 1.00 0.00 C ATOM 0 H VAL A 109 0.646 7.107 1.007 1.00 0.00 H new ATOM 0 HA VAL A 109 2.160 7.443 3.425 1.00 0.00 H new ATOM 0 HB VAL A 109 0.536 9.093 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.889 8.758 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.045 8.678 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.587 7.181 2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.747 8.046 5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.397 6.440 5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.928 7.449 5.762 1.00 0.00 H new ATOM 1669 N THR A 110 1.781 5.001 3.602 1.00 0.00 N ATOM 1670 CA THR A 110 1.584 3.565 3.753 1.00 0.00 C ATOM 1671 C THR A 110 0.858 3.244 5.054 1.00 0.00 C ATOM 1672 O THR A 110 1.455 3.257 6.129 1.00 0.00 O ATOM 1673 CB THR A 110 2.926 2.809 3.727 1.00 0.00 C ATOM 1674 OG1 THR A 110 3.880 3.529 2.938 1.00 0.00 O ATOM 1675 CG2 THR A 110 2.747 1.408 3.160 1.00 0.00 C ATOM 0 H THR A 110 2.706 5.331 3.876 1.00 0.00 H new ATOM 0 HA THR A 110 0.975 3.238 2.910 1.00 0.00 H new ATOM 0 HB THR A 110 3.290 2.727 4.751 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.730 3.042 2.928 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.708 0.893 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.043 0.852 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.362 1.474 2.143 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.436 2.954 4.948 1.00 0.00 N ATOM 1684 CA GLY A 111 -1.222 2.632 6.125 1.00 0.00 C ATOM 1685 C GLY A 111 -1.826 1.243 6.057 1.00 0.00 C ATOM 1686 O GLY A 111 -2.799 1.018 5.339 1.00 0.00 O ATOM 0 H GLY A 111 -0.953 2.936 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.592 2.708 7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.019 3.366 6.238 1.00 0.00 H new ATOM 1690 N GLN A 112 -1.245 0.311 6.805 1.00 0.00 N ATOM 1691 CA GLN A 112 -1.731 -1.064 6.824 1.00 0.00 C ATOM 1692 C GLN A 112 -1.913 -1.557 8.255 1.00 0.00 C ATOM 1693 O GLN A 112 -1.753 -0.797 9.210 1.00 0.00 O ATOM 1694 CB GLN A 112 -0.761 -1.980 6.075 1.00 0.00 C ATOM 1695 CG GLN A 112 0.700 -1.718 6.403 1.00 0.00 C ATOM 1696 CD GLN A 112 0.901 -1.238 7.827 1.00 0.00 C ATOM 1697 OE1 GLN A 112 0.579 -1.944 8.783 1.00 0.00 O ATOM 1698 NE2 GLN A 112 1.438 -0.033 7.975 1.00 0.00 N ATOM 0 H GLN A 112 -0.438 0.482 7.405 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.700 -1.088 6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.998 -3.017 6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.912 -1.856 5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.273 -2.632 6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.095 -0.973 5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.690 0.518 7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.599 0.342 8.910 1.00 0.00 H new ATOM 1707 N PHE A 113 -2.248 -2.835 8.398 1.00 0.00 N ATOM 1708 CA PHE A 113 -2.453 -3.430 9.713 1.00 0.00 C ATOM 1709 C PHE A 113 -1.939 -4.867 9.746 1.00 0.00 C ATOM 1710 O PHE A 113 -1.358 -5.352 8.776 1.00 0.00 O ATOM 1711 CB PHE A 113 -3.937 -3.399 10.085 1.00 0.00 C ATOM 1712 CG PHE A 113 -4.814 -4.135 9.114 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -5.064 -3.616 7.854 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -5.390 -5.347 9.461 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -5.870 -4.292 6.957 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -6.197 -6.027 8.569 1.00 0.00 C ATOM 1717 CZ PHE A 113 -6.438 -5.498 7.316 1.00 0.00 C ATOM 0 H PHE A 113 -2.383 -3.479 7.619 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.891 -2.844 10.440 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.064 -3.832 11.077 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.266 -2.362 10.146 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.624 -2.672 7.569 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.206 -5.765 10.440 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.055 -3.877 5.977 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.639 -6.971 8.851 1.00 0.00 H new ATOM 0 HZ PHE A 113 -7.070 -6.027 6.618 1.00 0.00 H new ATOM 1727 N SER A 114 -2.157 -5.541 10.871 1.00 0.00 N ATOM 1728 CA SER A 114 -1.713 -6.920 11.034 1.00 0.00 C ATOM 1729 C SER A 114 -2.879 -7.824 11.424 1.00 0.00 C ATOM 1730 O SER A 114 -3.705 -7.464 12.263 1.00 0.00 O ATOM 1731 CB SER A 114 -0.612 -7.002 12.093 1.00 0.00 C ATOM 1732 OG SER A 114 0.434 -6.089 11.812 1.00 0.00 O ATOM 0 H SER A 114 -2.638 -5.154 11.683 1.00 0.00 H new ATOM 0 HA SER A 114 -1.314 -7.263 10.079 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.032 -6.788 13.076 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.214 -8.016 12.130 1.00 0.00 H new ATOM 0 HG SER A 114 1.124 -6.159 12.504 1.00 0.00 H new ATOM 1738 N VAL A 115 -2.939 -9.001 10.809 1.00 0.00 N ATOM 1739 CA VAL A 115 -4.002 -9.958 11.092 1.00 0.00 C ATOM 1740 C VAL A 115 -3.438 -11.251 11.670 1.00 0.00 C ATOM 1741 O VAL A 115 -2.583 -11.895 11.060 1.00 0.00 O ATOM 1742 CB VAL A 115 -4.814 -10.285 9.825 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -5.974 -11.211 10.159 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.313 -9.008 9.168 1.00 0.00 C ATOM 0 H VAL A 115 -2.264 -9.315 10.112 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.660 -9.493 11.826 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.162 -10.799 9.119 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.537 -11.431 9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.589 -12.139 10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.629 -10.727 10.884 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.885 -9.258 8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.950 -8.465 9.866 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.463 -8.384 8.892 1.00 0.00 H new ATOM 1754 N HIS A 116 -3.921 -11.627 12.849 1.00 0.00 N ATOM 1755 CA HIS A 116 -3.466 -12.845 13.509 1.00 0.00 C ATOM 1756 C HIS A 116 -4.596 -13.866 13.605 1.00 0.00 C ATOM 1757 O HIS A 116 -5.750 -13.528 13.869 1.00 0.00 O ATOM 1758 CB HIS A 116 -2.933 -12.525 14.906 1.00 0.00 C ATOM 1759 CG HIS A 116 -3.853 -11.663 15.715 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -4.686 -12.163 16.694 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -4.066 -10.327 15.688 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -5.373 -11.172 17.232 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -5.016 -10.047 16.640 1.00 0.00 N ATOM 0 H HIS A 116 -4.628 -11.106 13.367 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.662 -13.274 12.911 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.758 -13.458 15.442 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.969 -12.025 14.812 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -3.580 -9.614 15.039 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.103 -11.266 18.022 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -5.385 -9.121 16.855 1.00 0.00 H new ATOM 1772 N PRO A 117 -4.258 -15.145 13.386 1.00 0.00 N ATOM 1773 CA PRO A 117 -5.230 -16.241 13.441 1.00 0.00 C ATOM 1774 C PRO A 117 -5.718 -16.511 14.861 1.00 0.00 C ATOM 1775 O PRO A 117 -5.155 -17.342 15.572 1.00 0.00 O ATOM 1776 CB PRO A 117 -4.443 -17.441 12.909 1.00 0.00 C ATOM 1777 CG PRO A 117 -3.017 -17.115 13.193 1.00 0.00 C ATOM 1778 CD PRO A 117 -2.902 -15.621 13.067 1.00 0.00 C ATOM 0 HA PRO A 117 -6.130 -16.017 12.868 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.745 -18.364 13.405 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.612 -17.583 11.842 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -2.732 -17.446 14.192 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -2.354 -17.618 12.490 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -2.162 -15.216 13.757 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -2.598 -15.325 12.063 1.00 0.00 H new