USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 685 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 86 ASN : amide:sc= -1.58 K(o=-1.8,f=-3.6!) USER MOD Set 1.2: A 108 GLN :FLIP amide:sc= -0.248 F(o=-4,f=-1.8) USER MOD Set 2.1: A 18 ASN :FLIP amide:sc= 0 F(o=-3.1,f=-2.1) USER MOD Set 2.2: A 43 ASN :FLIP amide:sc= -2.14! C(o=-2.4!,f=-2.1!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -2.04 F(o=-3.9!,f=-2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.01! X(o=-1!,f=-0.9) USER MOD Single : A 45 SER OG : rot 57:sc= -0.0518 USER MOD Single : A 48 THR OG1 : rot -5:sc= -1.27 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 144:sc= -1.17 (180deg=-4.05!) USER MOD Single : A 59 HIS : no HD1:sc= -0.0712 X(o=-0.071,f=-0.071) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.842 K(o=-0.84,f=-3.2!) USER MOD Single : A 66 HIS : no HD1:sc= -0.0876 X(o=-0.088,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.88) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -6.89! C(o=-9.9!,f=-6.9!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 43:sc= 0.193 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.0215 X(o=-0.022,f=-0.0095) USER MOD Single : A 82 SER OG : rot -140:sc= -5.2! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 20:sc= -1.75 USER MOD Single : A 88 SER OG : rot 180:sc= -0.357 USER MOD Single : A 92 MET CE :methyl -140:sc= -11! (180deg=-15.4!) USER MOD Single : A 95 ASN : amide:sc= -12.8! C(o=-13!,f=-26!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 154:sc= 0.323 (180deg=-0.0855) USER MOD Single : A 100 SER OG : rot -154:sc= 1.04 USER MOD Single : A 103 SER OG : rot 99:sc= -1.57! USER MOD Single : A 106 SER OG : rot 180:sc= -0.318 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -27.584 -10.895 -7.042 1.00 0.00 N ATOM 133 CA VAL A 13 -27.393 -9.456 -6.979 1.00 0.00 C ATOM 134 C VAL A 13 -25.916 -9.152 -6.717 1.00 0.00 C ATOM 135 O VAL A 13 -25.410 -9.408 -5.626 1.00 0.00 O ATOM 136 CB VAL A 13 -28.323 -8.850 -5.925 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.094 -9.494 -4.557 1.00 0.00 C ATOM 138 CG2 VAL A 13 -28.153 -7.331 -5.852 1.00 0.00 C ATOM 0 HA VAL A 13 -27.656 -8.995 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 13 -29.350 -9.058 -6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -28.767 -9.045 -3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -28.290 -10.564 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -27.062 -9.332 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.825 -6.926 -5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -27.123 -7.092 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -28.390 -6.891 -6.821 1.00 0.00 H new ATOM 148 N TYR A 14 -25.267 -8.612 -7.738 1.00 0.00 N ATOM 149 CA TYR A 14 -23.858 -8.271 -7.632 1.00 0.00 C ATOM 150 C TYR A 14 -23.677 -6.802 -7.246 1.00 0.00 C ATOM 151 O TYR A 14 -24.653 -6.100 -6.984 1.00 0.00 O ATOM 152 CB TYR A 14 -23.264 -8.497 -9.024 1.00 0.00 C ATOM 153 CG TYR A 14 -23.537 -9.888 -9.599 1.00 0.00 C ATOM 154 CD1 TYR A 14 -24.735 -10.151 -10.231 1.00 0.00 C ATOM 155 CD2 TYR A 14 -22.585 -10.881 -9.485 1.00 0.00 C ATOM 156 CE1 TYR A 14 -24.993 -11.460 -10.772 1.00 0.00 C ATOM 157 CE2 TYR A 14 -22.842 -12.191 -10.026 1.00 0.00 C ATOM 158 CZ TYR A 14 -24.033 -12.416 -10.643 1.00 0.00 C ATOM 159 OH TYR A 14 -24.276 -13.652 -11.153 1.00 0.00 O ATOM 0 H TYR A 14 -25.690 -8.402 -8.642 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.373 -8.877 -6.867 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.667 -7.748 -9.706 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.186 -8.339 -8.978 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -25.480 -9.374 -10.320 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.647 -10.676 -8.990 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -25.927 -11.678 -11.269 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -22.106 -12.977 -9.944 1.00 0.00 H new ATOM 0 HH TYR A 14 -23.503 -14.231 -10.989 1.00 0.00 H new ATOM 169 N ASP A 15 -22.421 -6.379 -7.223 1.00 0.00 N ATOM 170 CA ASP A 15 -22.100 -5.006 -6.873 1.00 0.00 C ATOM 171 C ASP A 15 -20.599 -4.893 -6.597 1.00 0.00 C ATOM 172 O ASP A 15 -20.192 -4.364 -5.564 1.00 0.00 O ATOM 173 CB ASP A 15 -22.846 -4.570 -5.610 1.00 0.00 C ATOM 174 CG ASP A 15 -24.166 -3.837 -5.860 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.438 -3.546 -7.045 1.00 0.00 O ATOM 176 OD2 ASP A 15 -24.872 -3.584 -4.861 1.00 0.00 O ATOM 0 H ASP A 15 -21.614 -6.963 -7.441 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.396 -4.368 -7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.047 -5.452 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.193 -3.922 -5.026 1.00 0.00 H new ATOM 181 N VAL A 16 -19.817 -5.398 -7.540 1.00 0.00 N ATOM 182 CA VAL A 16 -18.370 -5.360 -7.412 1.00 0.00 C ATOM 183 C VAL A 16 -17.970 -5.898 -6.037 1.00 0.00 C ATOM 184 O VAL A 16 -18.800 -5.980 -5.133 1.00 0.00 O ATOM 185 CB VAL A 16 -17.859 -3.941 -7.671 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.165 -3.502 -9.104 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.443 -2.955 -6.658 1.00 0.00 C ATOM 0 H VAL A 16 -20.158 -5.836 -8.396 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.903 -6.001 -8.160 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.776 -3.946 -7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.792 -2.490 -9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.679 -4.182 -9.804 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.242 -3.521 -9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.064 -1.954 -6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.530 -2.954 -6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.152 -3.253 -5.651 1.00 0.00 H new ATOM 197 N PRO A 17 -16.664 -6.260 -5.919 1.00 0.00 N ATOM 198 CA PRO A 17 -16.144 -6.787 -4.669 1.00 0.00 C ATOM 199 C PRO A 17 -15.964 -5.673 -3.636 1.00 0.00 C ATOM 200 O PRO A 17 -15.246 -4.704 -3.881 1.00 0.00 O ATOM 201 CB PRO A 17 -14.837 -7.467 -5.043 1.00 0.00 C ATOM 202 CG PRO A 17 -14.443 -6.897 -6.396 1.00 0.00 C ATOM 203 CD PRO A 17 -15.653 -6.176 -6.968 1.00 0.00 C ATOM 0 HA PRO A 17 -16.825 -7.494 -4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.067 -7.270 -4.297 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.961 -8.549 -5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.604 -6.210 -6.291 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.121 -7.694 -7.067 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.419 -5.139 -7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -15.997 -6.648 -7.888 1.00 0.00 H new ATOM 211 N ASN A 18 -16.629 -5.847 -2.503 1.00 0.00 N ATOM 212 CA ASN A 18 -16.552 -4.868 -1.432 1.00 0.00 C ATOM 213 C ASN A 18 -15.089 -4.479 -1.207 1.00 0.00 C ATOM 214 O ASN A 18 -14.182 -5.160 -1.683 1.00 0.00 O ATOM 215 CB ASN A 18 -17.095 -5.441 -0.122 1.00 0.00 C ATOM 216 CG ASN A 18 -18.588 -5.141 0.031 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.311 -5.435 -1.046 1.00 0.00 O flip ATOM 218 ND2 ASN A 18 -19.052 -4.674 1.058 1.00 0.00 N flip ATOM 0 H ASN A 18 -17.224 -6.651 -2.304 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.149 -4.003 -1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.933 -6.519 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.547 -5.017 0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -18.440 -4.472 1.848 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.052 -4.486 1.126 1.00 0.00 H new ATOM 225 N PRO A 19 -14.901 -3.356 -0.463 1.00 0.00 N ATOM 226 CA PRO A 19 -13.564 -2.868 -0.169 1.00 0.00 C ATOM 227 C PRO A 19 -12.888 -3.731 0.898 1.00 0.00 C ATOM 228 O PRO A 19 -13.555 -4.268 1.781 1.00 0.00 O ATOM 229 CB PRO A 19 -13.760 -1.426 0.269 1.00 0.00 C ATOM 230 CG PRO A 19 -15.226 -1.301 0.650 1.00 0.00 C ATOM 231 CD PRO A 19 -15.952 -2.525 0.117 1.00 0.00 C ATOM 0 HA PRO A 19 -12.897 -2.922 -1.030 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.115 -1.183 1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.505 -0.736 -0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.335 -1.234 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.653 -0.391 0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.479 -3.051 0.913 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.697 -2.250 -0.630 1.00 0.00 H new ATOM 239 N PRO A 20 -11.538 -3.840 0.779 1.00 0.00 N ATOM 240 CA PRO A 20 -10.764 -4.628 1.723 1.00 0.00 C ATOM 241 C PRO A 20 -10.621 -3.897 3.060 1.00 0.00 C ATOM 242 O PRO A 20 -10.970 -2.723 3.170 1.00 0.00 O ATOM 243 CB PRO A 20 -9.431 -4.870 1.033 1.00 0.00 C ATOM 244 CG PRO A 20 -9.334 -3.825 -0.066 1.00 0.00 C ATOM 245 CD PRO A 20 -10.715 -3.217 -0.254 1.00 0.00 C ATOM 0 HA PRO A 20 -11.244 -5.573 1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.604 -4.774 1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.383 -5.877 0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.611 -3.055 0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.987 -4.278 -0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.689 -2.133 -0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.106 -3.423 -1.250 1.00 0.00 H new ATOM 253 N PHE A 21 -10.108 -4.623 4.042 1.00 0.00 N ATOM 254 CA PHE A 21 -9.915 -4.059 5.367 1.00 0.00 C ATOM 255 C PHE A 21 -8.746 -4.736 6.086 1.00 0.00 C ATOM 256 O PHE A 21 -8.176 -5.700 5.580 1.00 0.00 O ATOM 257 CB PHE A 21 -11.201 -4.318 6.155 1.00 0.00 C ATOM 258 CG PHE A 21 -11.680 -5.770 6.105 1.00 0.00 C ATOM 259 CD1 PHE A 21 -11.209 -6.673 7.006 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.578 -6.158 5.159 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.654 -8.020 6.960 1.00 0.00 C ATOM 262 CE2 PHE A 21 -13.022 -7.506 5.113 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.551 -8.408 6.015 1.00 0.00 C ATOM 0 H PHE A 21 -9.820 -5.597 3.947 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.692 -2.995 5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.041 -4.035 7.195 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.989 -3.673 5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.496 -6.365 7.757 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.953 -5.441 4.444 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.280 -8.737 7.676 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.734 -7.815 4.362 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.890 -9.433 5.981 1.00 0.00 H new ATOM 273 N ASP A 22 -8.425 -4.203 7.256 1.00 0.00 N ATOM 274 CA ASP A 22 -7.334 -4.743 8.050 1.00 0.00 C ATOM 275 C ASP A 22 -6.002 -4.385 7.389 1.00 0.00 C ATOM 276 O ASP A 22 -4.952 -4.889 7.785 1.00 0.00 O ATOM 277 CB ASP A 22 -7.422 -6.268 8.141 1.00 0.00 C ATOM 278 CG ASP A 22 -7.207 -6.845 9.541 1.00 0.00 C ATOM 279 OD1 ASP A 22 -7.305 -6.053 10.503 1.00 0.00 O ATOM 280 OD2 ASP A 22 -6.951 -8.066 9.619 1.00 0.00 O ATOM 0 H ASP A 22 -8.901 -3.403 7.673 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.402 -4.317 9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.402 -6.583 7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.681 -6.701 7.468 1.00 0.00 H new ATOM 285 N LEU A 23 -6.087 -3.516 6.392 1.00 0.00 N ATOM 286 CA LEU A 23 -4.901 -3.085 5.671 1.00 0.00 C ATOM 287 C LEU A 23 -3.758 -2.866 6.665 1.00 0.00 C ATOM 288 O LEU A 23 -3.963 -2.301 7.738 1.00 0.00 O ATOM 289 CB LEU A 23 -5.213 -1.858 4.812 1.00 0.00 C ATOM 290 CG LEU A 23 -5.229 -2.085 3.299 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.425 -2.946 2.887 1.00 0.00 C ATOM 292 CD2 LEU A 23 -5.194 -0.755 2.545 1.00 0.00 C ATOM 0 H LEU A 23 -6.959 -3.099 6.067 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.575 -3.858 4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.186 -1.468 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.477 -1.086 5.036 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.328 -2.634 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.413 -3.092 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.365 -3.914 3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.350 -2.446 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.206 -0.945 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.065 -0.159 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.286 -0.212 2.807 1.00 0.00 H new ATOM 304 N GLU A 24 -2.579 -3.324 6.272 1.00 0.00 N ATOM 305 CA GLU A 24 -1.403 -3.185 7.114 1.00 0.00 C ATOM 306 C GLU A 24 -0.145 -3.061 6.253 1.00 0.00 C ATOM 307 O GLU A 24 -0.169 -3.372 5.063 1.00 0.00 O ATOM 308 CB GLU A 24 -1.286 -4.358 8.090 1.00 0.00 C ATOM 309 CG GLU A 24 -1.595 -3.914 9.521 1.00 0.00 C ATOM 310 CD GLU A 24 -2.816 -4.651 10.072 1.00 0.00 C ATOM 311 OE1 GLU A 24 -2.693 -5.878 10.279 1.00 0.00 O ATOM 312 OE2 GLU A 24 -3.846 -3.972 10.275 1.00 0.00 O ATOM 0 H GLU A 24 -2.413 -3.792 5.381 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.508 -2.274 7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.973 -5.151 7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.280 -4.775 8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.732 -4.105 10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.775 -2.839 9.541 1.00 0.00 H new ATOM 319 N LEU A 25 0.926 -2.606 6.888 1.00 0.00 N ATOM 320 CA LEU A 25 2.191 -2.437 6.194 1.00 0.00 C ATOM 321 C LEU A 25 3.329 -2.926 7.092 1.00 0.00 C ATOM 322 O LEU A 25 3.733 -2.231 8.023 1.00 0.00 O ATOM 323 CB LEU A 25 2.357 -0.989 5.727 1.00 0.00 C ATOM 324 CG LEU A 25 1.641 -0.619 4.426 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.049 0.790 4.508 1.00 0.00 C ATOM 326 CD2 LEU A 25 2.571 -0.781 3.223 1.00 0.00 C ATOM 0 H LEU A 25 0.943 -2.349 7.875 1.00 0.00 H new ATOM 0 HA LEU A 25 2.213 -3.045 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.997 -0.330 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.421 -0.787 5.603 1.00 0.00 H new ATOM 0 HG LEU A 25 0.810 -1.310 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.546 1.028 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.331 0.836 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.848 1.511 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.037 -0.512 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.437 -0.130 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.903 -1.817 3.156 1.00 0.00 H new ATOM 445 N VAL A 33 8.329 -3.141 0.530 1.00 0.00 N ATOM 446 CA VAL A 33 7.432 -3.504 1.614 1.00 0.00 C ATOM 447 C VAL A 33 6.242 -4.280 1.048 1.00 0.00 C ATOM 448 O VAL A 33 5.824 -4.043 -0.084 1.00 0.00 O ATOM 449 CB VAL A 33 7.015 -2.253 2.390 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.221 -1.295 1.499 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.219 -2.623 3.643 1.00 0.00 C ATOM 0 HA VAL A 33 7.938 -4.158 2.325 1.00 0.00 H new ATOM 0 HB VAL A 33 7.922 -1.740 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.937 -0.414 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.836 -0.992 0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.324 -1.796 1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.936 -1.715 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.321 -3.170 3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.832 -3.248 4.292 1.00 0.00 H new ATOM 461 N GLN A 34 5.730 -5.193 1.861 1.00 0.00 N ATOM 462 CA GLN A 34 4.596 -6.005 1.454 1.00 0.00 C ATOM 463 C GLN A 34 3.301 -5.441 2.042 1.00 0.00 C ATOM 464 O GLN A 34 3.167 -5.322 3.259 1.00 0.00 O ATOM 465 CB GLN A 34 4.794 -7.466 1.865 1.00 0.00 C ATOM 466 CG GLN A 34 3.508 -8.270 1.664 1.00 0.00 C ATOM 467 CD GLN A 34 2.853 -8.601 3.007 1.00 0.00 C ATOM 468 OE1 GLN A 34 1.526 -8.511 2.999 1.00 0.00 O flip ATOM 469 NE2 GLN A 34 3.509 -8.916 3.986 1.00 0.00 N flip ATOM 0 H GLN A 34 6.080 -5.388 2.799 1.00 0.00 H new ATOM 0 HA GLN A 34 4.522 -5.973 0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.599 -7.907 1.277 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.099 -7.516 2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.812 -7.702 1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.731 -9.192 1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.526 -8.966 3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.041 -9.129 4.867 1.00 0.00 H new ATOM 478 N LEU A 35 2.380 -5.109 1.149 1.00 0.00 N ATOM 479 CA LEU A 35 1.100 -4.560 1.564 1.00 0.00 C ATOM 480 C LEU A 35 0.085 -5.696 1.706 1.00 0.00 C ATOM 481 O LEU A 35 -0.227 -6.380 0.732 1.00 0.00 O ATOM 482 CB LEU A 35 0.655 -3.454 0.605 1.00 0.00 C ATOM 483 CG LEU A 35 -0.745 -2.884 0.842 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.786 -2.042 2.118 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.231 -2.099 -0.379 1.00 0.00 C ATOM 0 H LEU A 35 2.495 -5.210 0.140 1.00 0.00 H new ATOM 0 HA LEU A 35 1.188 -4.086 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.374 -2.637 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.700 -3.843 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.433 -3.717 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.792 -1.649 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.512 -2.662 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.082 -1.214 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.228 -1.705 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.547 -1.274 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.264 -2.759 -1.246 1.00 0.00 H new ATOM 497 N SER A 36 -0.404 -5.862 2.926 1.00 0.00 N ATOM 498 CA SER A 36 -1.377 -6.903 3.208 1.00 0.00 C ATOM 499 C SER A 36 -2.783 -6.302 3.271 1.00 0.00 C ATOM 500 O SER A 36 -3.012 -5.324 3.980 1.00 0.00 O ATOM 501 CB SER A 36 -1.049 -7.624 4.517 1.00 0.00 C ATOM 502 OG SER A 36 -2.021 -7.366 5.526 1.00 0.00 O ATOM 0 H SER A 36 -0.144 -5.292 3.731 1.00 0.00 H new ATOM 0 HA SER A 36 -1.337 -7.635 2.402 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.991 -8.697 4.335 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.067 -7.307 4.869 1.00 0.00 H new ATOM 0 HG SER A 36 -1.777 -7.845 6.345 1.00 0.00 H new ATOM 508 N TRP A 37 -3.687 -6.912 2.519 1.00 0.00 N ATOM 509 CA TRP A 37 -5.064 -6.449 2.480 1.00 0.00 C ATOM 510 C TRP A 37 -5.977 -7.671 2.601 1.00 0.00 C ATOM 511 O TRP A 37 -5.548 -8.797 2.356 1.00 0.00 O ATOM 512 CB TRP A 37 -5.330 -5.626 1.219 1.00 0.00 C ATOM 513 CG TRP A 37 -5.209 -6.422 -0.082 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.147 -7.164 -0.686 1.00 0.00 C ATOM 515 CD2 TRP A 37 -4.038 -6.527 -0.920 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.669 -7.737 -1.847 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.346 -7.337 -1.993 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.762 -5.956 -0.775 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.430 -7.650 -3.005 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.858 -6.278 -1.794 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.152 -7.093 -2.882 1.00 0.00 C ATOM 0 H TRP A 37 -3.493 -7.723 1.932 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.269 -5.777 3.314 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.331 -5.200 1.280 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.630 -4.791 1.188 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.151 -7.297 -0.311 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.190 -8.342 -2.481 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.500 -5.319 0.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.696 -8.287 -3.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.862 -5.865 -1.731 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.398 -7.295 -3.628 1.00 0.00 H new ATOM 532 N THR A 38 -7.219 -7.407 2.978 1.00 0.00 N ATOM 533 CA THR A 38 -8.196 -8.471 3.134 1.00 0.00 C ATOM 534 C THR A 38 -9.459 -8.157 2.329 1.00 0.00 C ATOM 535 O THR A 38 -10.212 -7.248 2.678 1.00 0.00 O ATOM 536 CB THR A 38 -8.459 -8.656 4.630 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.190 -9.028 5.161 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.354 -9.862 4.922 1.00 0.00 C ATOM 0 H THR A 38 -7.571 -6.471 3.180 1.00 0.00 H new ATOM 0 HA THR A 38 -7.821 -9.414 2.736 1.00 0.00 H new ATOM 0 HB THR A 38 -8.922 -7.755 5.032 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.268 -9.167 6.128 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.509 -9.948 5.997 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.316 -9.730 4.426 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.876 -10.768 4.551 1.00 0.00 H new ATOM 546 N PRO A 39 -9.658 -8.947 1.240 1.00 0.00 N ATOM 547 CA PRO A 39 -10.817 -8.762 0.384 1.00 0.00 C ATOM 548 C PRO A 39 -12.084 -9.303 1.050 1.00 0.00 C ATOM 549 O PRO A 39 -12.251 -10.515 1.182 1.00 0.00 O ATOM 550 CB PRO A 39 -10.471 -9.485 -0.908 1.00 0.00 C ATOM 551 CG PRO A 39 -9.336 -10.435 -0.562 1.00 0.00 C ATOM 552 CD PRO A 39 -8.788 -10.032 0.797 1.00 0.00 C ATOM 0 HA PRO A 39 -11.034 -7.711 0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.333 -10.030 -1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.168 -8.779 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.694 -11.464 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.553 -10.386 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.810 -10.868 1.496 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.751 -9.704 0.724 1.00 0.00 H new ATOM 560 N GLY A 40 -12.943 -8.378 1.453 1.00 0.00 N ATOM 561 CA GLY A 40 -14.189 -8.747 2.103 1.00 0.00 C ATOM 562 C GLY A 40 -15.083 -9.552 1.158 1.00 0.00 C ATOM 563 O GLY A 40 -14.597 -10.400 0.410 1.00 0.00 O ATOM 0 H GLY A 40 -12.801 -7.374 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.977 -9.334 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.714 -7.849 2.428 1.00 0.00 H new ATOM 567 N ASP A 41 -16.373 -9.259 1.222 1.00 0.00 N ATOM 568 CA ASP A 41 -17.340 -9.945 0.381 1.00 0.00 C ATOM 569 C ASP A 41 -16.976 -9.726 -1.089 1.00 0.00 C ATOM 570 O ASP A 41 -16.308 -8.751 -1.428 1.00 0.00 O ATOM 571 CB ASP A 41 -18.751 -9.399 0.606 1.00 0.00 C ATOM 572 CG ASP A 41 -19.237 -9.440 2.056 1.00 0.00 C ATOM 573 OD1 ASP A 41 -18.667 -8.678 2.867 1.00 0.00 O ATOM 574 OD2 ASP A 41 -20.167 -10.231 2.321 1.00 0.00 O ATOM 0 H ASP A 41 -16.772 -8.555 1.843 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.319 -11.004 0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.785 -8.367 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.447 -9.968 -0.011 1.00 0.00 H new ATOM 579 N ASP A 42 -17.432 -10.651 -1.922 1.00 0.00 N ATOM 580 CA ASP A 42 -17.163 -10.571 -3.347 1.00 0.00 C ATOM 581 C ASP A 42 -18.443 -10.169 -4.082 1.00 0.00 C ATOM 582 O ASP A 42 -18.395 -9.751 -5.238 1.00 0.00 O ATOM 583 CB ASP A 42 -16.706 -11.923 -3.898 1.00 0.00 C ATOM 584 CG ASP A 42 -15.874 -12.768 -2.932 1.00 0.00 C ATOM 585 OD1 ASP A 42 -15.294 -12.163 -2.004 1.00 0.00 O ATOM 586 OD2 ASP A 42 -15.835 -13.999 -3.142 1.00 0.00 O ATOM 0 H ASP A 42 -17.986 -11.459 -1.637 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.375 -9.834 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.586 -12.495 -4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.122 -11.751 -4.802 1.00 0.00 H new ATOM 591 N ASN A 43 -19.559 -10.309 -3.380 1.00 0.00 N ATOM 592 CA ASN A 43 -20.850 -9.965 -3.951 1.00 0.00 C ATOM 593 C ASN A 43 -21.100 -10.828 -5.190 1.00 0.00 C ATOM 594 O ASN A 43 -21.128 -10.319 -6.309 1.00 0.00 O ATOM 595 CB ASN A 43 -20.889 -8.498 -4.381 1.00 0.00 C ATOM 596 CG ASN A 43 -20.935 -7.571 -3.164 1.00 0.00 C ATOM 597 OD1 ASN A 43 -20.060 -7.884 -2.213 1.00 0.00 O flip ATOM 598 ND2 ASN A 43 -21.713 -6.634 -3.094 1.00 0.00 N flip ATOM 0 H ASN A 43 -19.595 -10.656 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.612 -10.138 -3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.011 -8.269 -4.984 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.762 -8.323 -5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.359 -6.449 -3.861 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -21.717 -6.035 -2.268 1.00 0.00 H new ATOM 605 N ASN A 44 -21.276 -12.118 -4.947 1.00 0.00 N ATOM 606 CA ASN A 44 -21.524 -13.056 -6.029 1.00 0.00 C ATOM 607 C ASN A 44 -20.276 -13.153 -6.910 1.00 0.00 C ATOM 608 O ASN A 44 -19.678 -14.221 -7.030 1.00 0.00 O ATOM 609 CB ASN A 44 -22.687 -12.590 -6.907 1.00 0.00 C ATOM 610 CG ASN A 44 -24.031 -12.872 -6.231 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.476 -14.003 -6.123 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.650 -11.783 -5.784 1.00 0.00 N ATOM 0 H ASN A 44 -21.252 -12.536 -4.017 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.770 -14.022 -5.588 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.593 -11.522 -7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.647 -13.098 -7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.554 -11.865 -5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.221 -10.866 -5.907 1.00 0.00 H new ATOM 619 N SER A 45 -19.921 -12.023 -7.503 1.00 0.00 N ATOM 620 CA SER A 45 -18.756 -11.966 -8.370 1.00 0.00 C ATOM 621 C SER A 45 -17.478 -12.069 -7.535 1.00 0.00 C ATOM 622 O SER A 45 -17.192 -11.194 -6.719 1.00 0.00 O ATOM 623 CB SER A 45 -18.746 -10.680 -9.197 1.00 0.00 C ATOM 624 OG SER A 45 -19.550 -10.793 -10.369 1.00 0.00 O ATOM 0 H SER A 45 -20.420 -11.139 -7.400 1.00 0.00 H new ATOM 0 HA SER A 45 -18.802 -12.809 -9.060 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.109 -9.853 -8.586 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.722 -10.440 -9.482 1.00 0.00 H new ATOM 0 HG SER A 45 -20.465 -11.037 -10.116 1.00 0.00 H new ATOM 630 N PRO A 46 -16.723 -13.176 -7.773 1.00 0.00 N ATOM 631 CA PRO A 46 -15.482 -13.404 -7.053 1.00 0.00 C ATOM 632 C PRO A 46 -14.370 -12.491 -7.572 1.00 0.00 C ATOM 633 O PRO A 46 -14.282 -12.235 -8.772 1.00 0.00 O ATOM 634 CB PRO A 46 -15.180 -14.881 -7.250 1.00 0.00 C ATOM 635 CG PRO A 46 -16.004 -15.319 -8.450 1.00 0.00 C ATOM 636 CD PRO A 46 -17.030 -14.233 -8.731 1.00 0.00 C ATOM 0 HA PRO A 46 -15.561 -13.165 -5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.117 -15.042 -7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.446 -15.456 -6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.363 -15.472 -9.318 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.499 -16.269 -8.247 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.954 -13.872 -9.757 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.046 -14.604 -8.599 1.00 0.00 H new ATOM 644 N ILE A 47 -13.549 -12.025 -6.643 1.00 0.00 N ATOM 645 CA ILE A 47 -12.446 -11.146 -6.992 1.00 0.00 C ATOM 646 C ILE A 47 -11.591 -11.812 -8.072 1.00 0.00 C ATOM 647 O ILE A 47 -11.375 -13.022 -8.039 1.00 0.00 O ATOM 648 CB ILE A 47 -11.659 -10.751 -5.741 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.707 -9.238 -5.517 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.223 -11.275 -5.809 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.067 -8.490 -6.688 1.00 0.00 C ATOM 0 H ILE A 47 -13.625 -12.239 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.821 -10.213 -7.412 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.132 -11.219 -4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.742 -8.917 -5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.187 -8.987 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.685 -10.981 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.236 -12.362 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.724 -10.856 -6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.114 -7.417 -6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.026 -8.795 -6.789 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.605 -8.724 -7.607 1.00 0.00 H new ATOM 663 N THR A 48 -11.127 -10.992 -9.004 1.00 0.00 N ATOM 664 CA THR A 48 -10.300 -11.486 -10.091 1.00 0.00 C ATOM 665 C THR A 48 -8.949 -10.768 -10.104 1.00 0.00 C ATOM 666 O THR A 48 -7.931 -11.359 -10.459 1.00 0.00 O ATOM 667 CB THR A 48 -11.086 -11.324 -11.394 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.474 -9.953 -11.398 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.413 -12.087 -11.376 1.00 0.00 C ATOM 0 H THR A 48 -11.308 -9.989 -9.028 1.00 0.00 H new ATOM 0 HA THR A 48 -10.069 -12.543 -9.962 1.00 0.00 H new ATOM 0 HB THR A 48 -10.479 -11.672 -12.230 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.202 -9.534 -10.555 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.931 -11.939 -12.324 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.220 -13.150 -11.231 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.035 -11.717 -10.561 1.00 0.00 H new ATOM 677 N LYS A 49 -8.985 -9.503 -9.712 1.00 0.00 N ATOM 678 CA LYS A 49 -7.776 -8.697 -9.673 1.00 0.00 C ATOM 679 C LYS A 49 -7.861 -7.713 -8.504 1.00 0.00 C ATOM 680 O LYS A 49 -8.948 -7.432 -8.003 1.00 0.00 O ATOM 681 CB LYS A 49 -7.537 -8.025 -11.026 1.00 0.00 C ATOM 682 CG LYS A 49 -6.933 -6.630 -10.847 1.00 0.00 C ATOM 683 CD LYS A 49 -6.687 -5.961 -12.200 1.00 0.00 C ATOM 684 CE LYS A 49 -8.005 -5.707 -12.934 1.00 0.00 C ATOM 685 NZ LYS A 49 -7.952 -6.268 -14.303 1.00 0.00 N ATOM 0 H LYS A 49 -9.832 -9.016 -9.419 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.904 -9.327 -9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.868 -8.640 -11.628 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.478 -7.950 -11.570 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.604 -6.013 -10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.994 -6.704 -10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.161 -5.018 -12.053 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.043 -6.594 -12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.829 -6.158 -12.381 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.202 -4.636 -12.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.854 -6.087 -14.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.178 -5.818 -14.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.786 -7.293 -14.252 1.00 0.00 H new ATOM 699 N PHE A 50 -6.699 -7.218 -8.104 1.00 0.00 N ATOM 700 CA PHE A 50 -6.628 -6.271 -7.004 1.00 0.00 C ATOM 701 C PHE A 50 -5.689 -5.111 -7.338 1.00 0.00 C ATOM 702 O PHE A 50 -4.470 -5.271 -7.328 1.00 0.00 O ATOM 703 CB PHE A 50 -6.073 -7.030 -5.797 1.00 0.00 C ATOM 704 CG PHE A 50 -7.115 -7.869 -5.055 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.207 -7.270 -4.509 1.00 0.00 C ATOM 706 CD2 PHE A 50 -6.950 -9.214 -4.943 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.175 -8.049 -3.822 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.917 -9.993 -4.255 1.00 0.00 C ATOM 709 CZ PHE A 50 -9.009 -9.394 -3.709 1.00 0.00 C ATOM 0 H PHE A 50 -5.799 -7.455 -8.522 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.616 -5.856 -6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.267 -7.683 -6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.635 -6.314 -5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.338 -6.202 -4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.083 -9.690 -5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.043 -7.574 -3.389 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.785 -11.061 -4.165 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.745 -9.987 -3.185 1.00 0.00 H new ATOM 719 N ILE A 51 -6.293 -3.967 -7.627 1.00 0.00 N ATOM 720 CA ILE A 51 -5.526 -2.780 -7.964 1.00 0.00 C ATOM 721 C ILE A 51 -5.209 -2.003 -6.685 1.00 0.00 C ATOM 722 O ILE A 51 -5.906 -2.141 -5.681 1.00 0.00 O ATOM 723 CB ILE A 51 -6.259 -1.951 -9.021 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.435 -2.746 -10.317 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.550 -0.617 -9.260 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.916 -2.897 -10.670 1.00 0.00 C ATOM 0 H ILE A 51 -7.305 -3.837 -7.635 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.573 -3.057 -8.414 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.256 -1.723 -8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.913 -2.242 -11.131 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.981 -3.731 -10.208 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.091 -0.047 -10.015 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.520 -0.049 -8.330 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.533 -0.802 -9.605 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.013 -3.466 -11.595 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.430 -3.422 -9.865 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.361 -1.911 -10.802 1.00 0.00 H new ATOM 738 N ILE A 52 -4.155 -1.204 -6.763 1.00 0.00 N ATOM 739 CA ILE A 52 -3.736 -0.405 -5.623 1.00 0.00 C ATOM 740 C ILE A 52 -3.493 1.035 -6.078 1.00 0.00 C ATOM 741 O ILE A 52 -3.271 1.288 -7.261 1.00 0.00 O ATOM 742 CB ILE A 52 -2.529 -1.045 -4.935 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.895 -2.408 -4.342 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.934 -0.104 -3.885 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.153 -3.535 -5.063 1.00 0.00 C ATOM 0 H ILE A 52 -3.579 -1.093 -7.597 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.523 -0.373 -4.869 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.759 -1.217 -5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.648 -2.425 -3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.970 -2.566 -4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.077 -0.583 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.613 0.820 -4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.687 0.122 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.430 -4.493 -4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.421 -3.530 -6.119 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.078 -3.386 -4.961 1.00 0.00 H new ATOM 757 N GLU A 53 -3.542 1.943 -5.114 1.00 0.00 N ATOM 758 CA GLU A 53 -3.329 3.351 -5.400 1.00 0.00 C ATOM 759 C GLU A 53 -2.825 4.077 -4.151 1.00 0.00 C ATOM 760 O GLU A 53 -3.111 3.661 -3.029 1.00 0.00 O ATOM 761 CB GLU A 53 -4.607 4.002 -5.933 1.00 0.00 C ATOM 762 CG GLU A 53 -4.749 3.778 -7.440 1.00 0.00 C ATOM 763 CD GLU A 53 -5.587 4.886 -8.082 1.00 0.00 C ATOM 764 OE1 GLU A 53 -5.763 5.926 -7.411 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.032 4.668 -9.229 1.00 0.00 O ATOM 0 H GLU A 53 -3.726 1.730 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.568 3.432 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.473 3.588 -5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.591 5.071 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.762 3.750 -7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.216 2.810 -7.625 1.00 0.00 H new ATOM 772 N TYR A 54 -2.083 5.149 -4.387 1.00 0.00 N ATOM 773 CA TYR A 54 -1.536 5.936 -3.295 1.00 0.00 C ATOM 774 C TYR A 54 -1.666 7.433 -3.580 1.00 0.00 C ATOM 775 O TYR A 54 -1.856 7.837 -4.726 1.00 0.00 O ATOM 776 CB TYR A 54 -0.052 5.571 -3.214 1.00 0.00 C ATOM 777 CG TYR A 54 0.815 6.252 -4.274 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.373 7.488 -4.020 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.040 5.630 -5.486 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.189 8.129 -5.018 1.00 0.00 C ATOM 781 CE2 TYR A 54 1.856 6.271 -6.484 1.00 0.00 C ATOM 782 CZ TYR A 54 2.390 7.489 -6.201 1.00 0.00 C ATOM 783 OH TYR A 54 3.161 8.094 -7.144 1.00 0.00 O ATOM 0 H TYR A 54 -1.848 5.491 -5.319 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.069 5.728 -2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.324 5.837 -2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.052 4.491 -3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.198 7.975 -3.072 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.604 4.662 -5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.632 9.096 -4.831 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.040 5.795 -7.436 1.00 0.00 H new ATOM 0 HH TYR A 54 3.218 7.521 -7.937 1.00 0.00 H new ATOM 793 N GLU A 55 -1.557 8.217 -2.517 1.00 0.00 N ATOM 794 CA GLU A 55 -1.660 9.661 -2.638 1.00 0.00 C ATOM 795 C GLU A 55 -0.484 10.338 -1.931 1.00 0.00 C ATOM 796 O GLU A 55 -0.121 9.957 -0.819 1.00 0.00 O ATOM 797 CB GLU A 55 -2.995 10.164 -2.087 1.00 0.00 C ATOM 798 CG GLU A 55 -3.131 9.838 -0.598 1.00 0.00 C ATOM 799 CD GLU A 55 -2.782 11.053 0.264 1.00 0.00 C ATOM 800 OE1 GLU A 55 -1.903 11.825 -0.174 1.00 0.00 O ATOM 801 OE2 GLU A 55 -3.402 11.181 1.342 1.00 0.00 O ATOM 0 H GLU A 55 -1.398 7.879 -1.568 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.621 9.921 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.071 11.241 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.816 9.707 -2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.150 9.517 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.475 9.006 -0.343 1.00 0.00 H new ATOM 808 N ASP A 56 0.077 11.332 -2.604 1.00 0.00 N ATOM 809 CA ASP A 56 1.204 12.066 -2.053 1.00 0.00 C ATOM 810 C ASP A 56 0.686 13.176 -1.137 1.00 0.00 C ATOM 811 O ASP A 56 0.304 14.246 -1.608 1.00 0.00 O ATOM 812 CB ASP A 56 2.033 12.716 -3.163 1.00 0.00 C ATOM 813 CG ASP A 56 1.750 12.193 -4.572 1.00 0.00 C ATOM 814 OD1 ASP A 56 0.558 12.190 -4.948 1.00 0.00 O ATOM 815 OD2 ASP A 56 2.732 11.808 -5.243 1.00 0.00 O ATOM 0 H ASP A 56 -0.228 11.646 -3.525 1.00 0.00 H new ATOM 0 HA ASP A 56 1.828 11.362 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.853 13.791 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.090 12.566 -2.942 1.00 0.00 H new ATOM 820 N ALA A 57 0.689 12.883 0.155 1.00 0.00 N ATOM 821 CA ALA A 57 0.224 13.844 1.141 1.00 0.00 C ATOM 822 C ALA A 57 1.323 14.877 1.399 1.00 0.00 C ATOM 823 O ALA A 57 1.043 15.988 1.846 1.00 0.00 O ATOM 824 CB ALA A 57 -0.193 13.106 2.415 1.00 0.00 C ATOM 0 H ALA A 57 1.006 11.994 0.542 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.651 14.379 0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.542 13.826 3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.996 12.406 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.661 12.560 2.815 1.00 0.00 H new ATOM 830 N MET A 58 2.550 14.473 1.105 1.00 0.00 N ATOM 831 CA MET A 58 3.693 15.350 1.299 1.00 0.00 C ATOM 832 C MET A 58 3.799 16.371 0.165 1.00 0.00 C ATOM 833 O MET A 58 4.706 17.203 0.156 1.00 0.00 O ATOM 834 CB MET A 58 4.973 14.515 1.357 1.00 0.00 C ATOM 835 CG MET A 58 6.170 15.375 1.771 1.00 0.00 C ATOM 836 SD MET A 58 7.514 14.331 2.309 1.00 0.00 S ATOM 837 CE MET A 58 6.969 13.953 3.967 1.00 0.00 C ATOM 0 H MET A 58 2.778 13.551 0.734 1.00 0.00 H new ATOM 0 HA MET A 58 3.559 15.890 2.236 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.846 13.697 2.066 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.163 14.066 0.382 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.492 15.993 0.933 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.881 16.053 2.574 1.00 0.00 H new ATOM 0 HE1 MET A 58 7.244 12.928 4.216 1.00 0.00 H new ATOM 0 HE2 MET A 58 7.443 14.637 4.671 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.886 14.063 4.028 1.00 0.00 H new ATOM 847 N HIS A 59 2.861 16.274 -0.766 1.00 0.00 N ATOM 848 CA HIS A 59 2.838 17.179 -1.903 1.00 0.00 C ATOM 849 C HIS A 59 1.394 17.580 -2.211 1.00 0.00 C ATOM 850 O HIS A 59 1.009 18.731 -2.010 1.00 0.00 O ATOM 851 CB HIS A 59 3.551 16.558 -3.106 1.00 0.00 C ATOM 852 CG HIS A 59 5.040 16.390 -2.918 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.613 15.204 -2.494 1.00 0.00 N ATOM 854 CD2 HIS A 59 6.066 17.269 -3.102 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.925 15.374 -2.429 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.204 16.655 -2.806 1.00 0.00 N ATOM 0 H HIS A 59 2.111 15.582 -0.756 1.00 0.00 H new ATOM 0 HA HIS A 59 3.386 18.089 -1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.109 15.583 -3.314 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.374 17.182 -3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.969 18.292 -3.433 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.647 14.629 -2.130 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.134 17.072 -2.853 1.00 0.00 H new ATOM 864 N LYS A 60 0.634 16.608 -2.693 1.00 0.00 N ATOM 865 CA LYS A 60 -0.759 16.845 -3.031 1.00 0.00 C ATOM 866 C LYS A 60 -1.623 15.744 -2.413 1.00 0.00 C ATOM 867 O LYS A 60 -1.804 14.683 -3.010 1.00 0.00 O ATOM 868 CB LYS A 60 -0.927 16.982 -4.546 1.00 0.00 C ATOM 869 CG LYS A 60 -0.200 18.222 -5.068 1.00 0.00 C ATOM 870 CD LYS A 60 1.192 17.863 -5.590 1.00 0.00 C ATOM 871 CE LYS A 60 1.220 17.860 -7.120 1.00 0.00 C ATOM 872 NZ LYS A 60 2.186 18.863 -7.622 1.00 0.00 N ATOM 0 H LYS A 60 0.957 15.654 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.098 17.791 -2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.537 16.092 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.987 17.046 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.784 18.681 -5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.114 18.960 -4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.922 18.578 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.483 16.882 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.494 16.869 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.225 18.078 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.193 18.848 -8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.908 19.809 -7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.137 18.638 -7.266 1.00 0.00 H new ATOM 886 N PRO A 61 -2.148 16.041 -1.195 1.00 0.00 N ATOM 887 CA PRO A 61 -2.990 15.089 -0.490 1.00 0.00 C ATOM 888 C PRO A 61 -4.385 15.023 -1.113 1.00 0.00 C ATOM 889 O PRO A 61 -5.097 16.025 -1.158 1.00 0.00 O ATOM 890 CB PRO A 61 -3.005 15.570 0.952 1.00 0.00 C ATOM 891 CG PRO A 61 -2.559 17.022 0.912 1.00 0.00 C ATOM 892 CD PRO A 61 -1.956 17.287 -0.458 1.00 0.00 C ATOM 0 HA PRO A 61 -2.613 14.068 -0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.002 15.479 1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.335 14.973 1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.404 17.686 1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.827 17.218 1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.452 18.121 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.899 17.544 -0.383 1.00 0.00 H new ATOM 900 N GLY A 62 -4.735 13.833 -1.579 1.00 0.00 N ATOM 901 CA GLY A 62 -6.032 13.623 -2.199 1.00 0.00 C ATOM 902 C GLY A 62 -5.880 13.188 -3.657 1.00 0.00 C ATOM 903 O GLY A 62 -6.841 12.736 -4.278 1.00 0.00 O ATOM 0 H GLY A 62 -4.142 13.004 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.585 12.864 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.616 14.542 -2.149 1.00 0.00 H new ATOM 907 N LEU A 63 -4.664 13.338 -4.163 1.00 0.00 N ATOM 908 CA LEU A 63 -4.374 12.966 -5.537 1.00 0.00 C ATOM 909 C LEU A 63 -3.880 11.519 -5.575 1.00 0.00 C ATOM 910 O LEU A 63 -2.701 11.255 -5.342 1.00 0.00 O ATOM 911 CB LEU A 63 -3.401 13.965 -6.168 1.00 0.00 C ATOM 912 CG LEU A 63 -3.500 14.128 -7.686 1.00 0.00 C ATOM 913 CD1 LEU A 63 -4.845 14.738 -8.086 1.00 0.00 C ATOM 914 CD2 LEU A 63 -2.320 14.937 -8.228 1.00 0.00 C ATOM 0 H LEU A 63 -3.869 13.712 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.279 13.011 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.561 14.939 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.385 13.658 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.448 13.138 -8.140 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.889 14.843 -9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.653 14.088 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.952 15.718 -7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.414 15.038 -9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.316 15.926 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.388 14.424 -7.992 1.00 0.00 H new ATOM 926 N TRP A 64 -4.806 10.618 -5.870 1.00 0.00 N ATOM 927 CA TRP A 64 -4.479 9.204 -5.941 1.00 0.00 C ATOM 928 C TRP A 64 -4.026 8.895 -7.369 1.00 0.00 C ATOM 929 O TRP A 64 -4.595 9.411 -8.330 1.00 0.00 O ATOM 930 CB TRP A 64 -5.662 8.345 -5.490 1.00 0.00 C ATOM 931 CG TRP A 64 -6.148 8.650 -4.072 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.075 9.539 -3.690 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.690 8.025 -2.854 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.248 9.533 -2.321 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.379 8.584 -1.796 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.726 7.022 -2.652 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.178 8.204 -0.464 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.537 6.654 -1.314 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.222 7.206 -0.239 1.00 0.00 C ATOM 0 H TRP A 64 -5.783 10.840 -6.063 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.665 8.961 -5.257 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.489 8.490 -6.185 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.378 7.294 -5.547 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.619 10.180 -4.368 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.895 10.118 -1.792 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.175 6.571 -3.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.730 8.656 0.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.807 5.887 -1.103 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.018 6.867 0.766 1.00 0.00 H new ATOM 950 N HIS A 65 -3.005 8.056 -7.464 1.00 0.00 N ATOM 951 CA HIS A 65 -2.469 7.672 -8.758 1.00 0.00 C ATOM 952 C HIS A 65 -2.376 6.147 -8.844 1.00 0.00 C ATOM 953 O HIS A 65 -2.395 5.462 -7.823 1.00 0.00 O ATOM 954 CB HIS A 65 -1.129 8.363 -9.018 1.00 0.00 C ATOM 955 CG HIS A 65 -1.178 9.867 -8.888 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.345 10.708 -9.974 1.00 0.00 N ATOM 957 CD2 HIS A 65 -1.082 10.670 -7.790 1.00 0.00 C ATOM 958 CE1 HIS A 65 -1.346 11.959 -9.538 1.00 0.00 C ATOM 959 NE2 HIS A 65 -1.183 11.934 -8.184 1.00 0.00 N ATOM 0 H HIS A 65 -2.535 7.631 -6.665 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.143 8.005 -9.547 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.389 7.972 -8.320 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.788 8.106 -10.021 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.450 10.415 -10.945 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.947 10.335 -6.772 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.457 12.844 -10.148 1.00 0.00 H new ATOM 967 N HIS A 66 -2.278 5.661 -10.072 1.00 0.00 N ATOM 968 CA HIS A 66 -2.182 4.229 -10.305 1.00 0.00 C ATOM 969 C HIS A 66 -0.847 3.711 -9.768 1.00 0.00 C ATOM 970 O HIS A 66 0.211 4.235 -10.113 1.00 0.00 O ATOM 971 CB HIS A 66 -2.392 3.904 -11.785 1.00 0.00 C ATOM 972 CG HIS A 66 -3.135 2.613 -12.030 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.734 1.403 -11.491 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.258 2.355 -12.761 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.584 0.466 -11.887 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.527 1.059 -12.674 1.00 0.00 N ATOM 0 H HIS A 66 -2.263 6.233 -10.917 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.976 3.715 -9.764 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.941 4.722 -12.252 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.420 3.851 -12.276 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.831 3.083 -13.316 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.538 -0.582 -11.631 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.310 0.584 -13.122 1.00 0.00 H new ATOM 984 N GLN A 67 -0.939 2.687 -8.931 1.00 0.00 N ATOM 985 CA GLN A 67 0.248 2.091 -8.343 1.00 0.00 C ATOM 986 C GLN A 67 0.561 0.754 -9.017 1.00 0.00 C ATOM 987 O GLN A 67 1.484 0.663 -9.825 1.00 0.00 O ATOM 988 CB GLN A 67 0.084 1.919 -6.832 1.00 0.00 C ATOM 989 CG GLN A 67 1.301 1.218 -6.224 1.00 0.00 C ATOM 990 CD GLN A 67 2.123 2.187 -5.373 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.713 3.137 -5.862 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.130 1.895 -4.076 1.00 0.00 N ATOM 0 H GLN A 67 -1.818 2.255 -8.646 1.00 0.00 H new ATOM 0 HA GLN A 67 1.089 2.764 -8.509 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.050 2.894 -6.364 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.815 1.339 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.973 0.378 -5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.924 0.808 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.614 1.085 -3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.651 2.481 -3.424 1.00 0.00 H new ATOM 1001 N THR A 68 -0.226 -0.250 -8.660 1.00 0.00 N ATOM 1002 CA THR A 68 -0.044 -1.579 -9.220 1.00 0.00 C ATOM 1003 C THR A 68 -1.242 -2.468 -8.882 1.00 0.00 C ATOM 1004 O THR A 68 -2.047 -2.129 -8.017 1.00 0.00 O ATOM 1005 CB THR A 68 1.287 -2.131 -8.706 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.452 -3.355 -9.417 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.215 -2.559 -7.239 1.00 0.00 C ATOM 0 H THR A 68 -0.991 -0.170 -7.990 1.00 0.00 H new ATOM 0 HA THR A 68 0.000 -1.547 -10.309 1.00 0.00 H new ATOM 0 HB THR A 68 2.064 -1.376 -8.826 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.292 -3.780 -9.146 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.185 -2.943 -6.924 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.947 -1.701 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.462 -3.338 -7.124 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.323 -3.589 -9.584 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.409 -4.530 -9.369 1.00 0.00 C ATOM 1017 C GLU A 69 -1.872 -5.962 -9.337 1.00 0.00 C ATOM 1018 O GLU A 69 -0.729 -6.209 -9.717 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.490 -4.374 -10.441 1.00 0.00 C ATOM 1020 CG GLU A 69 -2.906 -4.573 -11.841 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.508 -6.034 -12.067 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.234 -6.907 -11.543 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.488 -6.244 -12.758 1.00 0.00 O ATOM 0 H GLU A 69 -0.654 -3.867 -10.302 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.866 -4.312 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.286 -5.099 -10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.940 -3.384 -10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.638 -4.272 -12.590 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.035 -3.931 -11.970 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.723 -6.869 -8.878 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.349 -8.270 -8.791 1.00 0.00 C ATOM 1032 C VAL A 70 -3.561 -9.140 -9.129 1.00 0.00 C ATOM 1033 O VAL A 70 -4.619 -8.624 -9.485 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.764 -8.570 -7.409 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.236 -8.638 -7.463 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.231 -7.539 -6.380 1.00 0.00 C ATOM 0 H VAL A 70 -3.670 -6.660 -8.563 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.570 -8.503 -9.517 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.132 -9.547 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.154 -8.852 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.069 -9.427 -8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.159 -7.683 -7.809 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.801 -7.776 -5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.907 -6.545 -6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.319 -7.561 -6.311 1.00 0.00 H new ATOM 1046 N SER A 71 -3.367 -10.445 -9.005 1.00 0.00 N ATOM 1047 CA SER A 71 -4.431 -11.391 -9.292 1.00 0.00 C ATOM 1048 C SER A 71 -5.494 -11.333 -8.193 1.00 0.00 C ATOM 1049 O SER A 71 -5.289 -10.699 -7.159 1.00 0.00 O ATOM 1050 CB SER A 71 -3.883 -12.813 -9.426 1.00 0.00 C ATOM 1051 OG SER A 71 -4.215 -13.397 -10.682 1.00 0.00 O ATOM 0 H SER A 71 -2.488 -10.869 -8.709 1.00 0.00 H new ATOM 0 HA SER A 71 -4.886 -11.115 -10.243 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.799 -12.796 -9.309 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.281 -13.432 -8.622 1.00 0.00 H new ATOM 0 HG SER A 71 -3.846 -14.304 -10.729 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.607 -12.002 -8.455 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.702 -12.035 -7.501 1.00 0.00 C ATOM 1059 C GLY A 72 -7.572 -13.232 -6.557 1.00 0.00 C ATOM 1060 O GLY A 72 -8.571 -13.735 -6.045 1.00 0.00 O ATOM 0 H GLY A 72 -6.774 -12.525 -9.314 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.713 -11.111 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.651 -12.089 -8.034 1.00 0.00 H new ATOM 1064 N THR A 73 -6.332 -13.655 -6.356 1.00 0.00 N ATOM 1065 CA THR A 73 -6.059 -14.783 -5.483 1.00 0.00 C ATOM 1066 C THR A 73 -5.097 -14.373 -4.366 1.00 0.00 C ATOM 1067 O THR A 73 -5.273 -14.768 -3.215 1.00 0.00 O ATOM 1068 CB THR A 73 -5.533 -15.932 -6.346 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.665 -16.779 -6.525 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.525 -16.810 -5.602 1.00 0.00 C ATOM 0 H THR A 73 -5.506 -13.236 -6.783 1.00 0.00 H new ATOM 0 HA THR A 73 -6.965 -15.122 -4.981 1.00 0.00 H new ATOM 0 HB THR A 73 -5.067 -15.527 -7.244 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.413 -17.550 -7.076 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.184 -17.609 -6.260 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.673 -16.204 -5.294 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.000 -17.242 -4.721 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.102 -13.585 -4.746 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.112 -13.117 -3.790 1.00 0.00 C ATOM 1080 C GLN A 74 -3.662 -11.932 -2.994 1.00 0.00 C ATOM 1081 O GLN A 74 -4.564 -11.234 -3.456 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.804 -12.746 -4.493 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.864 -11.321 -5.046 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.474 -10.836 -5.463 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -0.114 -9.683 -4.907 1.00 0.00 O flip ATOM 1086 NE2 GLN A 74 0.226 -11.468 -6.237 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.960 -13.259 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.895 -13.928 -3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.973 -12.834 -3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.612 -13.447 -5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.537 -11.288 -5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.276 -10.651 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.112 -12.347 -6.628 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.149 -11.117 -6.493 1.00 0.00 H new ATOM 1095 N THR A 75 -3.096 -11.740 -1.812 1.00 0.00 N ATOM 1096 CA THR A 75 -3.518 -10.651 -0.947 1.00 0.00 C ATOM 1097 C THR A 75 -2.301 -9.903 -0.399 1.00 0.00 C ATOM 1098 O THR A 75 -2.406 -9.181 0.591 1.00 0.00 O ATOM 1099 CB THR A 75 -4.415 -11.236 0.146 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.829 -12.502 0.436 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.814 -11.582 -0.368 1.00 0.00 C ATOM 0 H THR A 75 -2.348 -12.320 -1.432 1.00 0.00 H new ATOM 0 HA THR A 75 -4.095 -9.909 -1.498 1.00 0.00 H new ATOM 0 HB THR A 75 -4.496 -10.525 0.968 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.347 -12.950 1.137 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.410 -11.993 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.294 -10.681 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.736 -12.318 -1.168 1.00 0.00 H new ATOM 1109 N THR A 76 -1.174 -10.102 -1.067 1.00 0.00 N ATOM 1110 CA THR A 76 0.061 -9.455 -0.659 1.00 0.00 C ATOM 1111 C THR A 76 0.865 -9.019 -1.886 1.00 0.00 C ATOM 1112 O THR A 76 1.273 -9.852 -2.693 1.00 0.00 O ATOM 1113 CB THR A 76 0.821 -10.419 0.254 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.753 -11.669 -0.428 1.00 0.00 O ATOM 1115 CG2 THR A 76 0.090 -10.675 1.574 1.00 0.00 C ATOM 0 H THR A 76 -1.091 -10.702 -1.888 1.00 0.00 H new ATOM 0 HA THR A 76 -0.138 -8.542 -0.098 1.00 0.00 H new ATOM 0 HB THR A 76 1.813 -10.017 0.460 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.925 -11.530 -1.383 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.672 -11.365 2.184 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.034 -9.734 2.109 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.889 -11.108 1.370 1.00 0.00 H new ATOM 1123 N ALA A 77 1.068 -7.714 -1.987 1.00 0.00 N ATOM 1124 CA ALA A 77 1.816 -7.157 -3.101 1.00 0.00 C ATOM 1125 C ALA A 77 2.875 -6.190 -2.567 1.00 0.00 C ATOM 1126 O ALA A 77 2.598 -5.393 -1.672 1.00 0.00 O ATOM 1127 CB ALA A 77 0.850 -6.483 -4.078 1.00 0.00 C ATOM 0 H ALA A 77 0.727 -7.026 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 77 2.335 -7.945 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.411 -6.065 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.137 -7.219 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.313 -5.685 -3.566 1.00 0.00 H new ATOM 1133 N GLN A 78 4.065 -6.292 -3.139 1.00 0.00 N ATOM 1134 CA GLN A 78 5.167 -5.437 -2.732 1.00 0.00 C ATOM 1135 C GLN A 78 4.919 -3.998 -3.190 1.00 0.00 C ATOM 1136 O GLN A 78 4.452 -3.769 -4.305 1.00 0.00 O ATOM 1137 CB GLN A 78 6.498 -5.962 -3.273 1.00 0.00 C ATOM 1138 CG GLN A 78 7.115 -6.983 -2.314 1.00 0.00 C ATOM 1139 CD GLN A 78 6.777 -8.412 -2.743 1.00 0.00 C ATOM 1140 OE1 GLN A 78 5.729 -8.951 -2.429 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.722 -8.994 -3.477 1.00 0.00 N ATOM 0 H GLN A 78 4.291 -6.954 -3.881 1.00 0.00 H new ATOM 0 HA GLN A 78 5.226 -5.447 -1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.342 -6.422 -4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.188 -5.131 -3.419 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.197 -6.854 -2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.747 -6.806 -1.303 1.00 0.00 H new ATOM 0 HE21 GLN A 78 8.577 -8.486 -3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.592 -9.948 -3.813 1.00 0.00 H new ATOM 1150 N LEU A 79 5.243 -3.065 -2.306 1.00 0.00 N ATOM 1151 CA LEU A 79 5.062 -1.655 -2.606 1.00 0.00 C ATOM 1152 C LEU A 79 6.428 -0.969 -2.657 1.00 0.00 C ATOM 1153 O LEU A 79 7.176 -0.992 -1.681 1.00 0.00 O ATOM 1154 CB LEU A 79 4.090 -1.017 -1.611 1.00 0.00 C ATOM 1155 CG LEU A 79 2.660 -1.562 -1.626 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.674 -0.527 -1.081 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.272 -2.042 -3.026 1.00 0.00 C ATOM 0 H LEU A 79 5.630 -3.258 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 79 4.606 -1.530 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.495 -1.142 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.051 0.054 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 79 2.616 -2.428 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.665 -0.939 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.941 -0.275 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.712 0.371 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.251 -2.425 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.336 -1.210 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.951 -2.834 -3.340 1.00 0.00 H new ATOM 1169 N ASN A 80 6.713 -0.374 -3.806 1.00 0.00 N ATOM 1170 CA ASN A 80 7.977 0.317 -3.998 1.00 0.00 C ATOM 1171 C ASN A 80 7.871 1.731 -3.423 1.00 0.00 C ATOM 1172 O ASN A 80 7.202 2.590 -3.995 1.00 0.00 O ATOM 1173 CB ASN A 80 8.320 0.436 -5.484 1.00 0.00 C ATOM 1174 CG ASN A 80 9.691 -0.174 -5.781 1.00 0.00 C ATOM 1175 OD1 ASN A 80 10.699 0.184 -5.192 1.00 0.00 O ATOM 1176 ND2 ASN A 80 9.674 -1.112 -6.723 1.00 0.00 N ATOM 0 H ASN A 80 6.090 -0.356 -4.614 1.00 0.00 H new ATOM 0 HA ASN A 80 8.755 -0.256 -3.493 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.558 -0.068 -6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.313 1.485 -5.780 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.539 -1.580 -6.993 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.796 -1.364 -7.176 1.00 0.00 H new ATOM 1183 N LEU A 81 8.543 1.930 -2.298 1.00 0.00 N ATOM 1184 CA LEU A 81 8.534 3.225 -1.639 1.00 0.00 C ATOM 1185 C LEU A 81 9.852 3.947 -1.925 1.00 0.00 C ATOM 1186 O LEU A 81 10.876 3.307 -2.161 1.00 0.00 O ATOM 1187 CB LEU A 81 8.230 3.065 -0.148 1.00 0.00 C ATOM 1188 CG LEU A 81 7.125 2.069 0.208 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.669 2.252 1.657 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.959 2.168 -0.777 1.00 0.00 C ATOM 0 H LEU A 81 9.097 1.216 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 81 7.735 3.850 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.145 2.758 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.956 4.041 0.253 1.00 0.00 H new ATOM 0 HG LEU A 81 7.532 1.062 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.883 1.532 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.513 2.092 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.285 3.263 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.187 1.449 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.543 3.175 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.314 1.950 -1.784 1.00 0.00 H new ATOM 1202 N SER A 82 9.784 5.270 -1.894 1.00 0.00 N ATOM 1203 CA SER A 82 10.960 6.086 -2.146 1.00 0.00 C ATOM 1204 C SER A 82 11.281 6.936 -0.915 1.00 0.00 C ATOM 1205 O SER A 82 10.416 7.161 -0.069 1.00 0.00 O ATOM 1206 CB SER A 82 10.757 6.980 -3.371 1.00 0.00 C ATOM 1207 OG SER A 82 10.120 8.209 -3.035 1.00 0.00 O ATOM 0 H SER A 82 8.933 5.797 -1.698 1.00 0.00 H new ATOM 0 HA SER A 82 11.800 5.422 -2.350 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.722 7.187 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.156 6.451 -4.111 1.00 0.00 H new ATOM 0 HG SER A 82 9.471 8.442 -3.731 1.00 0.00 H new ATOM 1213 N PRO A 83 12.558 7.398 -0.853 1.00 0.00 N ATOM 1214 CA PRO A 83 13.004 8.218 0.261 1.00 0.00 C ATOM 1215 C PRO A 83 12.458 9.643 0.144 1.00 0.00 C ATOM 1216 O PRO A 83 12.440 10.218 -0.943 1.00 0.00 O ATOM 1217 CB PRO A 83 14.522 8.158 0.211 1.00 0.00 C ATOM 1218 CG PRO A 83 14.875 7.692 -1.192 1.00 0.00 C ATOM 1219 CD PRO A 83 13.609 7.151 -1.836 1.00 0.00 C ATOM 0 HA PRO A 83 12.636 7.859 1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.958 9.135 0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.910 7.469 0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.279 8.518 -1.778 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.644 6.921 -1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.397 7.657 -2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.701 6.088 -2.059 1.00 0.00 H new ATOM 1227 N TYR A 84 12.027 10.172 1.280 1.00 0.00 N ATOM 1228 CA TYR A 84 11.483 11.519 1.319 1.00 0.00 C ATOM 1229 C TYR A 84 10.196 11.614 0.496 1.00 0.00 C ATOM 1230 O TYR A 84 10.195 12.177 -0.597 1.00 0.00 O ATOM 1231 CB TYR A 84 12.545 12.422 0.689 1.00 0.00 C ATOM 1232 CG TYR A 84 13.974 12.107 1.137 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.407 12.500 2.388 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.829 11.432 0.292 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.752 12.205 2.809 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.174 11.136 0.713 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.569 11.537 1.951 1.00 0.00 C ATOM 1238 OH TYR A 84 17.839 11.258 2.350 1.00 0.00 O ATOM 0 H TYR A 84 12.043 9.692 2.180 1.00 0.00 H new ATOM 0 HA TYR A 84 11.244 11.807 2.343 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.487 12.332 -0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.318 13.459 0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.737 13.028 3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.490 11.125 -0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 84 16.104 12.507 3.784 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.853 10.608 0.061 1.00 0.00 H new ATOM 0 HH TYR A 84 18.308 10.777 1.637 1.00 0.00 H new ATOM 1248 N VAL A 85 9.132 11.055 1.053 1.00 0.00 N ATOM 1249 CA VAL A 85 7.842 11.070 0.385 1.00 0.00 C ATOM 1250 C VAL A 85 6.821 10.315 1.239 1.00 0.00 C ATOM 1251 O VAL A 85 6.931 9.103 1.416 1.00 0.00 O ATOM 1252 CB VAL A 85 7.979 10.499 -1.028 1.00 0.00 C ATOM 1253 CG1 VAL A 85 8.710 9.155 -1.008 1.00 0.00 C ATOM 1254 CG2 VAL A 85 6.611 10.369 -1.701 1.00 0.00 C ATOM 0 H VAL A 85 9.137 10.588 1.960 1.00 0.00 H new ATOM 0 HA VAL A 85 7.480 12.092 0.275 1.00 0.00 H new ATOM 0 HB VAL A 85 8.577 11.196 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.794 8.771 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.707 9.289 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.151 8.446 -0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.736 9.961 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.979 9.702 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.142 11.351 -1.765 1.00 0.00 H new ATOM 1264 N ASN A 86 5.852 11.063 1.744 1.00 0.00 N ATOM 1265 CA ASN A 86 4.813 10.480 2.575 1.00 0.00 C ATOM 1266 C ASN A 86 3.549 10.278 1.737 1.00 0.00 C ATOM 1267 O ASN A 86 3.263 11.068 0.838 1.00 0.00 O ATOM 1268 CB ASN A 86 4.461 11.401 3.745 1.00 0.00 C ATOM 1269 CG ASN A 86 3.980 10.594 4.953 1.00 0.00 C ATOM 1270 OD1 ASN A 86 4.462 9.511 5.240 1.00 0.00 O ATOM 1271 ND2 ASN A 86 3.006 11.181 5.643 1.00 0.00 N ATOM 0 H ASN A 86 5.764 12.068 1.594 1.00 0.00 H new ATOM 0 HA ASN A 86 5.184 9.531 2.962 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.334 11.992 4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.685 12.103 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.617 10.723 6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.648 12.089 5.348 1.00 0.00 H new ATOM 1278 N TYR A 87 2.826 9.216 2.060 1.00 0.00 N ATOM 1279 CA TYR A 87 1.600 8.900 1.348 1.00 0.00 C ATOM 1280 C TYR A 87 0.964 7.618 1.892 1.00 0.00 C ATOM 1281 O TYR A 87 1.610 6.859 2.613 1.00 0.00 O ATOM 1282 CB TYR A 87 2.005 8.675 -0.110 1.00 0.00 C ATOM 1283 CG TYR A 87 3.257 7.812 -0.282 1.00 0.00 C ATOM 1284 CD1 TYR A 87 4.504 8.403 -0.301 1.00 0.00 C ATOM 1285 CD2 TYR A 87 3.139 6.444 -0.418 1.00 0.00 C ATOM 1286 CE1 TYR A 87 5.683 7.591 -0.463 1.00 0.00 C ATOM 1287 CE2 TYR A 87 4.317 5.632 -0.580 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.531 6.246 -0.595 1.00 0.00 C ATOM 1289 OH TYR A 87 6.644 5.479 -0.747 1.00 0.00 O ATOM 0 H TYR A 87 3.066 8.563 2.806 1.00 0.00 H new ATOM 0 HA TYR A 87 0.873 9.704 1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.176 8.204 -0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.175 9.642 -0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.596 9.474 -0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.163 5.982 -0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.665 8.040 -0.479 1.00 0.00 H new ATOM 0 HE2 TYR A 87 4.239 4.560 -0.687 1.00 0.00 H new ATOM 0 HH TYR A 87 7.428 5.973 -0.428 1.00 0.00 H new ATOM 1299 N SER A 88 -0.293 7.417 1.525 1.00 0.00 N ATOM 1300 CA SER A 88 -1.022 6.241 1.967 1.00 0.00 C ATOM 1301 C SER A 88 -1.184 5.259 0.805 1.00 0.00 C ATOM 1302 O SER A 88 -0.687 5.503 -0.293 1.00 0.00 O ATOM 1303 CB SER A 88 -2.391 6.623 2.533 1.00 0.00 C ATOM 1304 OG SER A 88 -2.285 7.260 3.804 1.00 0.00 O ATOM 0 H SER A 88 -0.825 8.049 0.927 1.00 0.00 H new ATOM 0 HA SER A 88 -0.450 5.763 2.762 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.899 7.289 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.007 5.729 2.626 1.00 0.00 H new ATOM 0 HG SER A 88 -3.180 7.490 4.130 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.880 4.167 1.088 1.00 0.00 N ATOM 1311 CA PHE A 89 -2.113 3.147 0.080 1.00 0.00 C ATOM 1312 C PHE A 89 -3.553 2.634 0.142 1.00 0.00 C ATOM 1313 O PHE A 89 -4.079 2.377 1.224 1.00 0.00 O ATOM 1314 CB PHE A 89 -1.159 1.990 0.386 1.00 0.00 C ATOM 1315 CG PHE A 89 0.302 2.415 0.551 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.096 2.558 -0.544 1.00 0.00 C ATOM 1317 CD2 PHE A 89 0.805 2.651 1.792 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.451 2.953 -0.391 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.161 3.045 1.945 1.00 0.00 C ATOM 1320 CZ PHE A 89 2.955 3.188 0.850 1.00 0.00 C ATOM 0 H PHE A 89 -2.290 3.967 2.000 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.945 3.561 -0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.488 1.493 1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.225 1.256 -0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.696 2.371 -1.530 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.174 2.539 2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.082 3.067 -1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.562 3.231 2.931 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.986 3.488 0.966 1.00 0.00 H new ATOM 1330 N ARG A 90 -4.151 2.500 -1.033 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.520 2.022 -1.126 1.00 0.00 C ATOM 1332 C ARG A 90 -5.592 0.791 -2.031 1.00 0.00 C ATOM 1333 O ARG A 90 -5.071 0.803 -3.145 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.446 3.108 -1.679 1.00 0.00 C ATOM 1335 CG ARG A 90 -6.233 3.296 -3.182 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.635 4.706 -3.620 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.531 4.634 -4.796 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.382 5.606 -5.153 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.459 6.729 -4.426 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -9.157 5.454 -6.236 1.00 0.00 N ATOM 0 H ARG A 90 -3.712 2.714 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.848 1.758 -0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.484 2.839 -1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.259 4.049 -1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.186 3.119 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.820 2.559 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.137 5.221 -2.801 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.746 5.287 -3.865 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.499 3.792 -5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.870 6.844 -3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.107 7.469 -4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.099 4.599 -6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.805 6.194 -6.508 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.242 -0.244 -1.518 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.389 -1.481 -2.266 1.00 0.00 C ATOM 1356 C VAL A 91 -7.792 -1.540 -2.875 1.00 0.00 C ATOM 1357 O VAL A 91 -8.776 -1.226 -2.207 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.078 -2.677 -1.365 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.189 -3.991 -2.141 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.696 -2.535 -0.723 1.00 0.00 C ATOM 0 H VAL A 91 -6.673 -0.251 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.675 -1.517 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.819 -2.696 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.963 -4.826 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.202 -4.100 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.481 -3.985 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.500 -3.398 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.937 -2.478 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.666 -1.627 -0.121 1.00 0.00 H new ATOM 1370 N MET A 92 -7.839 -1.945 -4.135 1.00 0.00 N ATOM 1371 CA MET A 92 -9.104 -2.049 -4.841 1.00 0.00 C ATOM 1372 C MET A 92 -9.337 -3.476 -5.343 1.00 0.00 C ATOM 1373 O MET A 92 -8.384 -4.222 -5.564 1.00 0.00 O ATOM 1374 CB MET A 92 -9.108 -1.084 -6.028 1.00 0.00 C ATOM 1375 CG MET A 92 -9.301 0.360 -5.560 1.00 0.00 C ATOM 1376 SD MET A 92 -8.105 1.423 -6.351 1.00 0.00 S ATOM 1377 CE MET A 92 -6.600 0.780 -5.639 1.00 0.00 C ATOM 0 H MET A 92 -7.021 -2.205 -4.686 1.00 0.00 H new ATOM 0 HA MET A 92 -9.906 -1.792 -4.149 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.169 -1.170 -6.575 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.906 -1.356 -6.719 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.311 0.696 -5.796 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.191 0.418 -4.477 1.00 0.00 H new ATOM 0 HE1 MET A 92 -5.927 1.605 -5.405 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.834 0.232 -4.726 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.118 0.110 -6.351 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.608 -3.812 -5.507 1.00 0.00 N ATOM 1388 CA ALA A 93 -10.977 -5.136 -5.978 1.00 0.00 C ATOM 1389 C ALA A 93 -11.796 -5.005 -7.264 1.00 0.00 C ATOM 1390 O ALA A 93 -12.672 -4.147 -7.361 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.737 -5.877 -4.876 1.00 0.00 C ATOM 0 H ALA A 93 -11.395 -3.190 -5.322 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.088 -5.722 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.014 -6.870 -5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.102 -5.969 -3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.638 -5.320 -4.617 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.481 -5.868 -8.218 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.176 -5.860 -9.494 1.00 0.00 C ATOM 1399 C VAL A 94 -12.593 -7.288 -9.852 1.00 0.00 C ATOM 1400 O VAL A 94 -11.786 -8.212 -9.772 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.299 -5.207 -10.564 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.147 -4.690 -11.728 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.448 -4.086 -9.966 1.00 0.00 C ATOM 0 H VAL A 94 -10.753 -6.578 -8.133 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.085 -5.262 -9.430 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.624 -5.969 -10.954 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.499 -4.231 -12.474 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.689 -5.520 -12.180 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.858 -3.950 -11.360 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.834 -3.639 -10.748 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.099 -3.325 -9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.803 -4.494 -9.188 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.853 -7.423 -10.239 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.387 -8.723 -10.610 1.00 0.00 C ATOM 1415 C ASN A 95 -15.152 -8.598 -11.929 1.00 0.00 C ATOM 1416 O ASN A 95 -15.045 -7.585 -12.619 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.358 -9.242 -9.548 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.588 -8.339 -9.440 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.883 -7.542 -10.315 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.285 -8.506 -8.320 1.00 0.00 N ATOM 0 H ASN A 95 -14.520 -6.654 -10.304 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.551 -9.416 -10.705 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.668 -10.256 -9.799 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.854 -9.292 -8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.123 -7.949 -8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.982 -9.192 -7.628 1.00 0.00 H new ATOM 1427 N SER A 96 -15.905 -9.642 -12.240 1.00 0.00 N ATOM 1428 CA SER A 96 -16.688 -9.662 -13.465 1.00 0.00 C ATOM 1429 C SER A 96 -17.476 -8.358 -13.603 1.00 0.00 C ATOM 1430 O SER A 96 -17.559 -7.791 -14.691 1.00 0.00 O ATOM 1431 CB SER A 96 -17.636 -10.862 -13.493 1.00 0.00 C ATOM 1432 OG SER A 96 -17.287 -11.795 -14.511 1.00 0.00 O ATOM 0 H SER A 96 -15.990 -10.481 -11.666 1.00 0.00 H new ATOM 0 HA SER A 96 -16.003 -9.756 -14.308 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.619 -11.360 -12.524 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.656 -10.514 -13.655 1.00 0.00 H new ATOM 0 HG SER A 96 -17.915 -12.547 -14.495 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.036 -7.921 -12.485 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.815 -6.695 -12.467 1.00 0.00 C ATOM 1440 C ILE A 97 -17.925 -5.524 -12.887 1.00 0.00 C ATOM 1441 O ILE A 97 -17.934 -5.117 -14.048 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.481 -6.502 -11.103 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.304 -7.733 -10.717 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.318 -5.222 -11.078 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.696 -7.683 -11.351 1.00 0.00 C ATOM 0 H ILE A 97 -17.966 -8.395 -11.584 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.630 -6.752 -13.188 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.698 -6.389 -10.353 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.786 -8.637 -11.039 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.396 -7.788 -9.632 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.780 -5.109 -10.097 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.676 -4.364 -11.278 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.095 -5.280 -11.841 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.260 -8.569 -11.061 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.220 -6.791 -11.008 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.601 -7.653 -12.436 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.177 -5.014 -11.920 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.282 -3.897 -12.175 1.00 0.00 C ATOM 1459 C GLY A 98 -15.309 -3.698 -11.011 1.00 0.00 C ATOM 1460 O GLY A 98 -15.047 -4.627 -10.249 1.00 0.00 O ATOM 0 H GLY A 98 -17.172 -5.353 -10.958 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.724 -4.076 -13.094 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.863 -2.988 -12.327 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.800 -2.479 -10.910 1.00 0.00 N ATOM 1465 CA LYS A 99 -13.862 -2.145 -9.852 1.00 0.00 C ATOM 1466 C LYS A 99 -14.613 -1.465 -8.706 1.00 0.00 C ATOM 1467 O LYS A 99 -15.356 -0.510 -8.926 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.703 -1.314 -10.406 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.673 -1.012 -9.315 1.00 0.00 C ATOM 1470 CD LYS A 99 -10.297 -0.732 -9.921 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.127 0.756 -10.233 1.00 0.00 C ATOM 1472 NZ LYS A 99 -9.699 1.493 -9.023 1.00 0.00 N ATOM 0 H LYS A 99 -15.020 -1.710 -11.544 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.410 -3.049 -9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.224 -1.852 -11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.085 -0.380 -10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.999 -0.151 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.607 -1.856 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.519 -1.053 -9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.172 -1.315 -10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.389 0.886 -11.025 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.067 1.166 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.178 2.348 -9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.535 1.764 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.082 0.885 -8.446 1.00 0.00 H new ATOM 1486 N SER A 100 -14.393 -1.984 -7.506 1.00 0.00 N ATOM 1487 CA SER A 100 -15.041 -1.439 -6.325 1.00 0.00 C ATOM 1488 C SER A 100 -14.266 -0.220 -5.820 1.00 0.00 C ATOM 1489 O SER A 100 -13.232 0.139 -6.380 1.00 0.00 O ATOM 1490 CB SER A 100 -15.150 -2.493 -5.222 1.00 0.00 C ATOM 1491 OG SER A 100 -13.894 -2.749 -4.601 1.00 0.00 O ATOM 0 H SER A 100 -13.775 -2.776 -7.327 1.00 0.00 H new ATOM 0 HA SER A 100 -16.051 -1.132 -6.598 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.864 -2.158 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.541 -3.419 -5.643 1.00 0.00 H new ATOM 0 HG SER A 100 -13.891 -3.657 -4.232 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.797 0.383 -4.766 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.169 1.554 -4.179 1.00 0.00 C ATOM 1499 C LEU A 101 -12.864 1.139 -3.495 1.00 0.00 C ATOM 1500 O LEU A 101 -12.658 -0.039 -3.207 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.146 2.278 -3.250 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.194 3.157 -3.935 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.266 3.608 -2.940 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.537 4.342 -4.645 1.00 0.00 C ATOM 0 H LEU A 101 -15.655 0.082 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 101 -13.909 2.275 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.664 1.532 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.571 2.900 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.693 2.561 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -17.999 4.231 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -17.764 2.734 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -16.800 4.180 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.304 4.950 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -14.995 4.947 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.842 3.974 -5.400 1.00 0.00 H new ATOM 1516 N PRO A 102 -11.996 2.156 -3.249 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.717 1.908 -2.604 1.00 0.00 C ATOM 1518 C PRO A 102 -10.898 1.653 -1.106 1.00 0.00 C ATOM 1519 O PRO A 102 -11.745 2.274 -0.466 1.00 0.00 O ATOM 1520 CB PRO A 102 -9.882 3.143 -2.900 1.00 0.00 C ATOM 1521 CG PRO A 102 -10.869 4.228 -3.298 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.207 3.563 -3.576 1.00 0.00 C ATOM 0 HA PRO A 102 -10.224 1.011 -2.978 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.304 3.442 -2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.170 2.950 -3.702 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.968 4.965 -2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.516 4.759 -4.182 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -12.999 3.997 -2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.502 3.688 -4.618 1.00 0.00 H new ATOM 1530 N SER A 103 -10.089 0.739 -0.592 1.00 0.00 N ATOM 1531 CA SER A 103 -10.149 0.395 0.819 1.00 0.00 C ATOM 1532 C SER A 103 -10.105 1.666 1.670 1.00 0.00 C ATOM 1533 O SER A 103 -9.725 2.730 1.184 1.00 0.00 O ATOM 1534 CB SER A 103 -9.004 -0.543 1.206 1.00 0.00 C ATOM 1535 OG SER A 103 -7.909 0.162 1.784 1.00 0.00 O ATOM 0 H SER A 103 -9.388 0.226 -1.127 1.00 0.00 H new ATOM 0 HA SER A 103 -11.088 -0.126 1.004 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.369 -1.288 1.913 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.662 -1.082 0.322 1.00 0.00 H new ATOM 0 HG SER A 103 -7.955 0.093 2.761 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.499 1.513 2.925 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.509 2.635 3.849 1.00 0.00 C ATOM 1543 C GLU A 104 -9.314 3.552 3.583 1.00 0.00 C ATOM 1544 O GLU A 104 -9.453 4.587 2.934 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.517 2.150 5.300 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.794 1.366 5.609 1.00 0.00 C ATOM 1547 CD GLU A 104 -11.589 0.434 6.805 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -10.443 -0.038 6.966 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -12.583 0.216 7.531 1.00 0.00 O ATOM 0 H GLU A 104 -10.814 0.629 3.324 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.423 3.206 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.646 1.520 5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.438 3.004 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.609 2.059 5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.088 0.784 4.736 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.165 3.138 4.099 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.946 3.909 3.926 1.00 0.00 C ATOM 1558 C ALA A 105 -5.919 3.473 4.972 1.00 0.00 C ATOM 1559 O ALA A 105 -5.936 3.955 6.103 1.00 0.00 O ATOM 1560 CB ALA A 105 -7.270 5.402 4.014 1.00 0.00 C ATOM 0 H ALA A 105 -8.053 2.279 4.637 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.513 3.726 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.356 5.981 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.981 5.667 3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.704 5.623 4.989 1.00 0.00 H new ATOM 1566 N SER A 106 -5.048 2.565 4.556 1.00 0.00 N ATOM 1567 CA SER A 106 -4.015 2.058 5.443 1.00 0.00 C ATOM 1568 C SER A 106 -3.257 3.223 6.084 1.00 0.00 C ATOM 1569 O SER A 106 -3.397 4.368 5.658 1.00 0.00 O ATOM 1570 CB SER A 106 -3.045 1.142 4.693 1.00 0.00 C ATOM 1571 OG SER A 106 -2.506 0.129 5.538 1.00 0.00 O ATOM 0 H SER A 106 -5.037 2.168 3.617 1.00 0.00 H new ATOM 0 HA SER A 106 -4.495 1.471 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.561 0.677 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.232 1.737 4.277 1.00 0.00 H new ATOM 0 HG SER A 106 -1.893 -0.436 5.022 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.471 2.890 7.097 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.691 3.894 7.801 1.00 0.00 C ATOM 1579 C GLU A 107 -0.792 4.650 6.821 1.00 0.00 C ATOM 1580 O GLU A 107 -0.578 4.201 5.695 1.00 0.00 O ATOM 1581 CB GLU A 107 -0.868 3.261 8.924 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.090 2.045 8.415 1.00 0.00 C ATOM 1583 CD GLU A 107 1.008 1.645 9.402 1.00 0.00 C ATOM 1584 OE1 GLU A 107 2.058 2.323 9.390 1.00 0.00 O ATOM 1585 OE2 GLU A 107 0.773 0.669 10.148 1.00 0.00 O ATOM 0 H GLU A 107 -2.357 1.939 7.447 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.378 4.606 8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.174 3.997 9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.527 2.961 9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.773 1.208 8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.353 2.272 7.445 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.289 5.785 7.284 1.00 0.00 N ATOM 1593 CA GLN A 108 0.582 6.608 6.462 1.00 0.00 C ATOM 1594 C GLN A 108 2.043 6.199 6.663 1.00 0.00 C ATOM 1595 O GLN A 108 2.669 6.585 7.648 1.00 0.00 O ATOM 1596 CB GLN A 108 0.382 8.093 6.767 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.515 8.753 5.717 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.245 10.256 5.632 1.00 0.00 C ATOM 1599 OE1 GLN A 108 0.482 10.616 4.579 1.00 0.00 O flip ATOM 1600 NE2 GLN A 108 -0.669 11.038 6.468 1.00 0.00 N flip ATOM 0 H GLN A 108 -0.468 6.154 8.218 1.00 0.00 H new ATOM 0 HA GLN A 108 0.320 6.448 5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.063 8.208 7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.349 8.596 6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.341 8.293 4.744 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.562 8.582 5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.222 10.695 7.253 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -0.470 12.035 6.381 1.00 0.00 H new ATOM 1609 N TYR A 109 2.543 5.423 5.713 1.00 0.00 N ATOM 1610 CA TYR A 109 3.918 4.957 5.773 1.00 0.00 C ATOM 1611 C TYR A 109 4.888 6.052 5.323 1.00 0.00 C ATOM 1612 O TYR A 109 4.704 6.652 4.265 1.00 0.00 O ATOM 1613 CB TYR A 109 4.008 3.781 4.799 1.00 0.00 C ATOM 1614 CG TYR A 109 5.200 2.855 5.051 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.477 3.376 5.116 1.00 0.00 C ATOM 1616 CD2 TYR A 109 4.999 1.499 5.212 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.599 2.504 5.353 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.121 0.628 5.448 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.365 1.173 5.507 1.00 0.00 C ATOM 1620 OH TYR A 109 8.424 0.350 5.731 1.00 0.00 O ATOM 0 H TYR A 109 2.020 5.105 4.897 1.00 0.00 H new ATOM 0 HA TYR A 109 4.184 4.677 6.792 1.00 0.00 H new ATOM 0 HB2 TYR A 109 3.089 3.199 4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.070 4.168 3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.635 4.437 4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.000 1.091 5.161 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.603 2.898 5.407 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.977 -0.435 5.575 1.00 0.00 H new ATOM 0 HH TYR A 109 8.107 -0.573 5.822 1.00 0.00 H new ATOM 1630 N LEU A 110 5.899 6.279 6.148 1.00 0.00 N ATOM 1631 CA LEU A 110 6.897 7.291 5.848 1.00 0.00 C ATOM 1632 C LEU A 110 8.267 6.623 5.706 1.00 0.00 C ATOM 1633 O LEU A 110 8.758 6.000 6.646 1.00 0.00 O ATOM 1634 CB LEU A 110 6.862 8.405 6.896 1.00 0.00 C ATOM 1635 CG LEU A 110 8.025 9.400 6.857 1.00 0.00 C ATOM 1636 CD1 LEU A 110 8.304 9.861 5.425 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.771 10.578 7.800 1.00 0.00 C ATOM 0 H LEU A 110 6.049 5.779 7.024 1.00 0.00 H new ATOM 0 HA LEU A 110 6.676 7.774 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.931 8.960 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.835 7.946 7.884 1.00 0.00 H new ATOM 0 HG LEU A 110 8.922 8.892 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.134 10.567 5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.561 8.999 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.416 10.346 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.612 11.270 7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.859 11.095 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.660 10.210 8.820 1.00 0.00 H new