USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 812 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 59 HIS : no HD1:sc= -0.442 K(o=-0.21,f=-1.1) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -166:sc= 0.23 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0779 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0227 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= -0.924 (180deg=-1.03) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 176:sc= -6.51! (180deg=-6.77!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.38! X(o=-1.4!,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= 1.05 (180deg=-0.0664) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.069 USER MOD Single : A 69 HIS : no HD1:sc= -0.0552 K(o=-0.055,f=-0.72) USER MOD Single : A 70 SER OG : rot -44:sc= 0.0523 USER MOD Single : A 73 TYR OH : rot 40:sc= 0.221 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.785 USER MOD Single : A 77 MET CE :methyl -168:sc= -1.84 (180deg=-2.07) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0409 K(o=-0.041,f=-2.9!) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.264 F(o=-0.93,f=-0.26) USER MOD Single : A 90 TYR OH : rot -26:sc= 0.0129 USER MOD Single : A 92 CYS SG : rot 180:sc= -0.422 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot -150:sc= -0.305 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-2.1!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 10.285 4.032 -0.806 1.00 0.00 N ATOM 125 CA ILE A 11 10.627 5.294 -1.450 1.00 0.00 C ATOM 126 C ILE A 11 9.375 6.037 -1.902 1.00 0.00 C ATOM 127 O ILE A 11 9.235 7.237 -1.668 1.00 0.00 O ATOM 128 CB ILE A 11 11.548 5.076 -2.664 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.078 6.416 -3.178 1.00 0.00 C ATOM 130 CG2 ILE A 11 10.805 4.336 -3.767 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.387 6.832 -2.545 1.00 0.00 C ATOM 0 HA ILE A 11 11.155 5.894 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 11 12.396 4.467 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.210 6.355 -4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.332 7.188 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.470 4.190 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.473 3.367 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.940 4.921 -4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.702 7.791 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.256 6.926 -1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.148 6.080 -2.754 1.00 0.00 H new ATOM 143 N GLU A 12 8.467 5.315 -2.551 1.00 0.00 N ATOM 144 CA GLU A 12 7.225 5.906 -3.035 1.00 0.00 C ATOM 145 C GLU A 12 6.090 5.681 -2.040 1.00 0.00 C ATOM 146 O GLU A 12 6.034 4.652 -1.367 1.00 0.00 O ATOM 147 CB GLU A 12 6.849 5.315 -4.396 1.00 0.00 C ATOM 148 CG GLU A 12 6.110 6.288 -5.299 1.00 0.00 C ATOM 149 CD GLU A 12 4.607 6.235 -5.106 1.00 0.00 C ATOM 150 OE1 GLU A 12 4.162 5.780 -4.031 1.00 0.00 O ATOM 151 OE2 GLU A 12 3.875 6.648 -6.030 1.00 0.00 O ATOM 0 H GLU A 12 8.568 4.320 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 12 7.382 6.979 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.756 4.981 -4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.228 4.433 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.463 7.300 -5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.347 6.065 -6.339 1.00 0.00 H new ATOM 158 N LYS A 13 5.188 6.652 -1.952 1.00 0.00 N ATOM 159 CA LYS A 13 4.053 6.562 -1.040 1.00 0.00 C ATOM 160 C LYS A 13 2.735 6.639 -1.803 1.00 0.00 C ATOM 161 O LYS A 13 2.343 7.691 -2.309 1.00 0.00 O ATOM 162 CB LYS A 13 4.118 7.682 0.001 1.00 0.00 C ATOM 163 CG LYS A 13 5.319 7.583 0.926 1.00 0.00 C ATOM 164 CD LYS A 13 5.019 8.176 2.293 1.00 0.00 C ATOM 165 CE LYS A 13 6.279 8.708 2.958 1.00 0.00 C ATOM 166 NZ LYS A 13 5.991 9.315 4.287 1.00 0.00 N ATOM 0 H LYS A 13 5.220 7.511 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 13 4.103 5.599 -0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.144 8.643 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.207 7.664 0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.609 6.538 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.167 8.103 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.293 8.982 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.564 7.416 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.997 7.897 3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.744 9.453 2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.875 9.666 4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.326 10.106 4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.571 8.598 4.912 1.00 0.00 H new ATOM 180 N PRO A 14 2.032 5.499 -1.888 1.00 0.00 N ATOM 181 CA PRO A 14 0.746 5.413 -2.586 1.00 0.00 C ATOM 182 C PRO A 14 -0.364 6.157 -1.851 1.00 0.00 C ATOM 183 O PRO A 14 -1.103 5.567 -1.063 1.00 0.00 O ATOM 184 CB PRO A 14 0.456 3.910 -2.611 1.00 0.00 C ATOM 185 CG PRO A 14 1.204 3.361 -1.445 1.00 0.00 C ATOM 186 CD PRO A 14 2.439 4.208 -1.309 1.00 0.00 C ATOM 0 HA PRO A 14 0.788 5.870 -3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.612 3.711 -2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.790 3.458 -3.545 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.600 3.404 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.464 2.315 -1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.742 4.312 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.284 3.776 -1.845 1.00 0.00 H new ATOM 194 N GLN A 15 -0.474 7.455 -2.114 1.00 0.00 N ATOM 195 CA GLN A 15 -1.494 8.280 -1.477 1.00 0.00 C ATOM 196 C GLN A 15 -2.887 7.899 -1.968 1.00 0.00 C ATOM 197 O GLN A 15 -3.268 8.219 -3.093 1.00 0.00 O ATOM 198 CB GLN A 15 -1.230 9.760 -1.753 1.00 0.00 C ATOM 199 CG GLN A 15 -0.301 10.412 -0.741 1.00 0.00 C ATOM 200 CD GLN A 15 0.532 11.525 -1.346 1.00 0.00 C ATOM 201 OE1 GLN A 15 0.036 12.626 -1.588 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.806 11.244 -1.593 1.00 0.00 N ATOM 0 H GLN A 15 0.130 7.958 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.447 8.105 -0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.799 9.864 -2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.180 10.295 -1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.891 10.812 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.361 9.655 -0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.175 10.318 -1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.415 11.954 -1.999 1.00 0.00 H new ATOM 211 N GLY A 16 -3.643 7.213 -1.117 1.00 0.00 N ATOM 212 CA GLY A 16 -4.986 6.800 -1.483 1.00 0.00 C ATOM 213 C GLY A 16 -5.725 7.864 -2.270 1.00 0.00 C ATOM 214 O GLY A 16 -5.405 9.048 -2.179 1.00 0.00 O ATOM 0 H GLY A 16 -3.350 6.936 -0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.933 5.886 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.549 6.564 -0.580 1.00 0.00 H new ATOM 218 N GLY A 17 -6.718 7.440 -3.046 1.00 0.00 N ATOM 219 CA GLY A 17 -7.488 8.378 -3.843 1.00 0.00 C ATOM 220 C GLY A 17 -8.981 8.130 -3.747 1.00 0.00 C ATOM 221 O GLY A 17 -9.498 7.812 -2.675 1.00 0.00 O ATOM 0 H GLY A 17 -7.003 6.465 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.270 9.394 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.177 8.306 -4.885 1.00 0.00 H new ATOM 225 N THR A 18 -9.677 8.278 -4.870 1.00 0.00 N ATOM 226 CA THR A 18 -11.119 8.072 -4.907 1.00 0.00 C ATOM 227 C THR A 18 -11.537 7.341 -6.178 1.00 0.00 C ATOM 228 O THR A 18 -11.383 7.859 -7.284 1.00 0.00 O ATOM 229 CB THR A 18 -11.881 9.408 -4.824 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.335 10.218 -3.776 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.362 9.172 -4.570 1.00 0.00 C ATOM 0 H THR A 18 -9.265 8.540 -5.766 1.00 0.00 H new ATOM 0 HA THR A 18 -11.373 7.463 -4.039 1.00 0.00 H new ATOM 0 HB THR A 18 -11.771 9.924 -5.778 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.823 11.066 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.879 10.130 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.781 8.580 -5.383 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.489 8.637 -3.629 1.00 0.00 H new ATOM 239 N VAL A 19 -12.067 6.133 -6.013 1.00 0.00 N ATOM 240 CA VAL A 19 -12.509 5.330 -7.148 1.00 0.00 C ATOM 241 C VAL A 19 -14.013 5.086 -7.096 1.00 0.00 C ATOM 242 O VAL A 19 -14.584 4.888 -6.023 1.00 0.00 O ATOM 243 CB VAL A 19 -11.781 3.974 -7.193 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.063 3.173 -5.931 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.189 3.192 -8.433 1.00 0.00 C ATOM 0 H VAL A 19 -12.201 5.689 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.267 5.894 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.708 4.159 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.540 2.218 -5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.717 3.731 -5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.135 2.995 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.665 2.236 -8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.265 3.016 -8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.930 3.763 -9.325 1.00 0.00 H new ATOM 255 N LYS A 20 -14.650 5.102 -8.261 1.00 0.00 N ATOM 256 CA LYS A 20 -16.088 4.881 -8.351 1.00 0.00 C ATOM 257 C LYS A 20 -16.426 3.408 -8.140 1.00 0.00 C ATOM 258 O LYS A 20 -15.606 2.529 -8.403 1.00 0.00 O ATOM 259 CB LYS A 20 -16.613 5.346 -9.711 1.00 0.00 C ATOM 260 CG LYS A 20 -18.109 5.606 -9.730 1.00 0.00 C ATOM 261 CD LYS A 20 -18.474 6.824 -8.898 1.00 0.00 C ATOM 262 CE LYS A 20 -18.046 8.114 -9.581 1.00 0.00 C ATOM 263 NZ LYS A 20 -19.097 8.628 -10.502 1.00 0.00 N ATOM 0 H LYS A 20 -14.192 5.266 -9.158 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.569 5.463 -7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.091 6.258 -10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.375 4.591 -10.460 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.440 5.754 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.636 4.732 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.551 6.841 -8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.998 6.754 -7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.824 8.868 -8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.126 7.941 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.768 9.508 -10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.291 7.919 -11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.967 8.817 -9.965 1.00 0.00 H new ATOM 277 N VAL A 21 -17.640 3.147 -7.666 1.00 0.00 N ATOM 278 CA VAL A 21 -18.087 1.780 -7.422 1.00 0.00 C ATOM 279 C VAL A 21 -18.118 0.974 -8.715 1.00 0.00 C ATOM 280 O VAL A 21 -18.829 1.318 -9.658 1.00 0.00 O ATOM 281 CB VAL A 21 -19.487 1.754 -6.781 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.050 0.341 -6.783 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.436 2.314 -5.367 1.00 0.00 C ATOM 0 H VAL A 21 -18.331 3.863 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.371 1.331 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.150 2.384 -7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.040 0.343 -6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.125 -0.019 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.390 -0.315 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.434 2.288 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.758 1.712 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.079 3.344 -5.396 1.00 0.00 H new ATOM 293 N GLY A 22 -17.340 -0.104 -8.752 1.00 0.00 N ATOM 294 CA GLY A 22 -17.293 -0.945 -9.935 1.00 0.00 C ATOM 295 C GLY A 22 -16.099 -0.637 -10.817 1.00 0.00 C ATOM 296 O GLY A 22 -15.769 -1.410 -11.716 1.00 0.00 O ATOM 0 H GLY A 22 -16.742 -0.410 -7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.257 -1.991 -9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.210 -0.811 -10.509 1.00 0.00 H new ATOM 300 N GLU A 23 -15.453 0.496 -10.561 1.00 0.00 N ATOM 301 CA GLU A 23 -14.291 0.904 -11.342 1.00 0.00 C ATOM 302 C GLU A 23 -13.051 0.118 -10.924 1.00 0.00 C ATOM 303 O GLU A 23 -13.122 -0.765 -10.070 1.00 0.00 O ATOM 304 CB GLU A 23 -14.037 2.404 -11.175 1.00 0.00 C ATOM 305 CG GLU A 23 -14.759 3.261 -12.201 1.00 0.00 C ATOM 306 CD GLU A 23 -14.214 4.675 -12.268 1.00 0.00 C ATOM 307 OE1 GLU A 23 -14.455 5.449 -11.318 1.00 0.00 O ATOM 308 OE2 GLU A 23 -13.545 5.006 -13.269 1.00 0.00 O ATOM 0 H GLU A 23 -15.714 1.147 -9.820 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.498 0.692 -12.391 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.349 2.708 -10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.966 2.593 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.673 2.796 -13.183 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.821 3.296 -11.957 1.00 0.00 H new ATOM 315 N ASP A 24 -11.917 0.446 -11.533 1.00 0.00 N ATOM 316 CA ASP A 24 -10.661 -0.227 -11.225 1.00 0.00 C ATOM 317 C ASP A 24 -9.559 0.785 -10.931 1.00 0.00 C ATOM 318 O ASP A 24 -9.191 1.584 -11.793 1.00 0.00 O ATOM 319 CB ASP A 24 -10.244 -1.131 -12.387 1.00 0.00 C ATOM 320 CG ASP A 24 -9.867 -0.343 -13.626 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.775 -0.005 -14.413 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.662 -0.066 -13.810 1.00 0.00 O ATOM 0 H ASP A 24 -11.842 1.174 -12.243 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.814 -0.838 -10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.398 -1.746 -12.080 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.062 -1.810 -12.627 1.00 0.00 H new ATOM 327 N ILE A 25 -9.037 0.747 -9.710 1.00 0.00 N ATOM 328 CA ILE A 25 -7.978 1.661 -9.303 1.00 0.00 C ATOM 329 C ILE A 25 -6.706 0.902 -8.940 1.00 0.00 C ATOM 330 O ILE A 25 -6.755 -0.267 -8.556 1.00 0.00 O ATOM 331 CB ILE A 25 -8.408 2.523 -8.101 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.323 3.547 -7.764 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.704 1.641 -6.896 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.852 4.783 -7.072 1.00 0.00 C ATOM 0 H ILE A 25 -9.331 0.092 -8.985 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.780 2.312 -10.154 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.318 3.061 -8.366 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.575 3.075 -7.126 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.817 3.844 -8.683 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.007 2.264 -6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.508 0.947 -7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.809 1.079 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.027 5.464 -6.864 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.578 5.278 -7.717 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.333 4.498 -6.136 1.00 0.00 H new ATOM 346 N THR A 26 -5.566 1.575 -9.062 1.00 0.00 N ATOM 347 CA THR A 26 -4.281 0.965 -8.747 1.00 0.00 C ATOM 348 C THR A 26 -3.374 1.944 -8.010 1.00 0.00 C ATOM 349 O THR A 26 -3.375 3.142 -8.294 1.00 0.00 O ATOM 350 CB THR A 26 -3.563 0.477 -10.019 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.498 -0.169 -10.891 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.439 -0.486 -9.671 1.00 0.00 C ATOM 0 H THR A 26 -5.507 2.543 -9.377 1.00 0.00 H new ATOM 0 HA THR A 26 -4.487 0.109 -8.104 1.00 0.00 H new ATOM 0 HB THR A 26 -3.134 1.343 -10.523 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.035 -0.475 -11.698 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.947 -0.817 -10.586 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.714 0.017 -9.031 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.849 -1.349 -9.147 1.00 0.00 H new ATOM 360 N PHE A 27 -2.598 1.427 -7.063 1.00 0.00 N ATOM 361 CA PHE A 27 -1.686 2.256 -6.284 1.00 0.00 C ATOM 362 C PHE A 27 -0.235 1.874 -6.560 1.00 0.00 C ATOM 363 O PHE A 27 0.078 0.706 -6.791 1.00 0.00 O ATOM 364 CB PHE A 27 -1.986 2.119 -4.790 1.00 0.00 C ATOM 365 CG PHE A 27 -3.420 2.398 -4.439 1.00 0.00 C ATOM 366 CD1 PHE A 27 -3.856 3.697 -4.234 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.331 1.362 -4.314 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.174 3.957 -3.910 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.650 1.616 -3.990 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.073 2.915 -3.789 1.00 0.00 C ATOM 0 H PHE A 27 -2.583 0.437 -6.817 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.834 3.294 -6.582 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.731 1.110 -4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.344 2.803 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.158 4.516 -4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.007 0.344 -4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.501 4.974 -3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.350 0.799 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.104 3.116 -3.538 1.00 0.00 H new ATOM 380 N ILE A 28 0.648 2.868 -6.535 1.00 0.00 N ATOM 381 CA ILE A 28 2.065 2.636 -6.781 1.00 0.00 C ATOM 382 C ILE A 28 2.873 2.752 -5.493 1.00 0.00 C ATOM 383 O ILE A 28 2.716 3.707 -4.734 1.00 0.00 O ATOM 384 CB ILE A 28 2.626 3.629 -7.817 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.992 3.383 -9.187 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.141 3.509 -7.899 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.267 2.003 -9.741 1.00 0.00 C ATOM 0 H ILE A 28 0.406 3.841 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 28 2.156 1.623 -7.174 1.00 0.00 H new ATOM 0 HB ILE A 28 2.378 4.642 -7.499 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.914 3.527 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.364 4.129 -9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.523 4.217 -8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.577 3.729 -6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.410 2.496 -8.197 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.787 1.899 -10.714 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.342 1.862 -9.850 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.870 1.251 -9.059 1.00 0.00 H new ATOM 399 N ALA A 29 3.740 1.772 -5.254 1.00 0.00 N ATOM 400 CA ALA A 29 4.576 1.766 -4.060 1.00 0.00 C ATOM 401 C ALA A 29 5.879 1.014 -4.307 1.00 0.00 C ATOM 402 O ALA A 29 5.878 -0.201 -4.511 1.00 0.00 O ATOM 403 CB ALA A 29 3.821 1.151 -2.891 1.00 0.00 C ATOM 0 H ALA A 29 3.881 0.973 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 29 4.825 2.798 -3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.457 1.153 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.921 1.733 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.543 0.126 -3.136 1.00 0.00 H new ATOM 409 N LYS A 30 6.990 1.742 -4.287 1.00 0.00 N ATOM 410 CA LYS A 30 8.301 1.144 -4.507 1.00 0.00 C ATOM 411 C LYS A 30 9.147 1.206 -3.240 1.00 0.00 C ATOM 412 O LYS A 30 8.947 2.073 -2.389 1.00 0.00 O ATOM 413 CB LYS A 30 9.024 1.858 -5.652 1.00 0.00 C ATOM 414 CG LYS A 30 8.508 1.478 -7.029 1.00 0.00 C ATOM 415 CD LYS A 30 8.727 2.596 -8.034 1.00 0.00 C ATOM 416 CE LYS A 30 7.566 3.579 -8.037 1.00 0.00 C ATOM 417 NZ LYS A 30 7.685 4.574 -9.138 1.00 0.00 N ATOM 0 H LYS A 30 7.008 2.748 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 30 8.155 0.097 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.921 2.935 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.088 1.630 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.014 0.575 -7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.445 1.245 -6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.651 3.124 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.849 2.172 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.628 3.033 -8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.528 4.099 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.875 5.226 -9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.568 5.113 -9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.696 4.080 -10.053 1.00 0.00 H new ATOM 431 N VAL A 31 10.096 0.282 -3.121 1.00 0.00 N ATOM 432 CA VAL A 31 10.974 0.233 -1.958 1.00 0.00 C ATOM 433 C VAL A 31 12.440 0.296 -2.374 1.00 0.00 C ATOM 434 O VAL A 31 12.837 -0.292 -3.380 1.00 0.00 O ATOM 435 CB VAL A 31 10.741 -1.045 -1.131 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.719 -1.115 0.032 1.00 0.00 C ATOM 437 CG2 VAL A 31 9.304 -1.102 -0.635 1.00 0.00 C ATOM 0 H VAL A 31 10.276 -0.443 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 31 10.735 1.102 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 31 10.915 -1.909 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.539 -2.025 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.740 -1.123 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.580 -0.247 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.156 -2.011 -0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.100 -0.233 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.625 -1.103 -1.487 1.00 0.00 H new ATOM 447 N LYS A 32 13.241 1.013 -1.593 1.00 0.00 N ATOM 448 CA LYS A 32 14.664 1.152 -1.878 1.00 0.00 C ATOM 449 C LYS A 32 15.420 -0.119 -1.504 1.00 0.00 C ATOM 450 O LYS A 32 15.454 -0.513 -0.339 1.00 0.00 O ATOM 451 CB LYS A 32 15.243 2.345 -1.115 1.00 0.00 C ATOM 452 CG LYS A 32 16.558 2.850 -1.683 1.00 0.00 C ATOM 453 CD LYS A 32 16.337 3.757 -2.882 1.00 0.00 C ATOM 454 CE LYS A 32 17.493 3.673 -3.866 1.00 0.00 C ATOM 455 NZ LYS A 32 17.690 4.952 -4.602 1.00 0.00 N ATOM 0 H LYS A 32 12.928 1.507 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 32 14.780 1.322 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.517 3.158 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.392 2.062 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.104 3.393 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.178 2.003 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.410 3.479 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.220 4.787 -2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.408 3.418 -3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.306 2.869 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.487 4.853 -5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.827 5.183 -5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.894 5.714 -3.925 1.00 0.00 H new ATOM 469 N ALA A 33 16.027 -0.756 -2.501 1.00 0.00 N ATOM 470 CA ALA A 33 16.786 -1.980 -2.276 1.00 0.00 C ATOM 471 C ALA A 33 18.241 -1.809 -2.697 1.00 0.00 C ATOM 472 O ALA A 33 18.550 -1.012 -3.582 1.00 0.00 O ATOM 473 CB ALA A 33 16.150 -3.140 -3.027 1.00 0.00 C ATOM 0 H ALA A 33 16.008 -0.444 -3.472 1.00 0.00 H new ATOM 0 HA ALA A 33 16.768 -2.199 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.727 -4.048 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.129 -3.285 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.138 -2.920 -4.094 1.00 0.00 H new ATOM 479 N GLU A 34 19.130 -2.561 -2.057 1.00 0.00 N ATOM 480 CA GLU A 34 20.554 -2.490 -2.365 1.00 0.00 C ATOM 481 C GLU A 34 21.079 -3.848 -2.824 1.00 0.00 C ATOM 482 O GLU A 34 21.766 -3.948 -3.841 1.00 0.00 O ATOM 483 CB GLU A 34 21.340 -2.014 -1.142 1.00 0.00 C ATOM 484 CG GLU A 34 20.874 -0.671 -0.605 1.00 0.00 C ATOM 485 CD GLU A 34 21.561 -0.292 0.693 1.00 0.00 C ATOM 486 OE1 GLU A 34 21.815 -1.196 1.516 1.00 0.00 O ATOM 487 OE2 GLU A 34 21.844 0.909 0.885 1.00 0.00 O ATOM 0 H GLU A 34 18.890 -3.226 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 34 20.689 -1.774 -3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.255 -2.761 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.396 -1.945 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.064 0.100 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.796 -0.702 -0.446 1.00 0.00 H new ATOM 494 N ASP A 35 20.752 -4.889 -2.067 1.00 0.00 N ATOM 495 CA ASP A 35 21.189 -6.241 -2.395 1.00 0.00 C ATOM 496 C ASP A 35 20.154 -6.952 -3.261 1.00 0.00 C ATOM 497 O ASP A 35 19.028 -6.479 -3.415 1.00 0.00 O ATOM 498 CB ASP A 35 21.441 -7.042 -1.117 1.00 0.00 C ATOM 499 CG ASP A 35 22.863 -6.897 -0.612 1.00 0.00 C ATOM 500 OD1 ASP A 35 23.340 -5.748 -0.507 1.00 0.00 O ATOM 501 OD2 ASP A 35 23.499 -7.932 -0.322 1.00 0.00 O ATOM 0 H ASP A 35 20.185 -4.823 -1.221 1.00 0.00 H new ATOM 0 HA ASP A 35 22.119 -6.169 -2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 35 20.748 -6.712 -0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 35 21.231 -8.095 -1.305 1.00 0.00 H new ATOM 506 N LEU A 36 20.544 -8.090 -3.825 1.00 0.00 N ATOM 507 CA LEU A 36 19.651 -8.866 -4.677 1.00 0.00 C ATOM 508 C LEU A 36 19.268 -10.183 -4.009 1.00 0.00 C ATOM 509 O LEU A 36 18.179 -10.712 -4.233 1.00 0.00 O ATOM 510 CB LEU A 36 20.313 -9.141 -6.028 1.00 0.00 C ATOM 511 CG LEU A 36 20.877 -7.922 -6.760 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.397 -8.317 -8.133 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.818 -6.836 -6.881 1.00 0.00 C ATOM 0 H LEU A 36 21.473 -8.495 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 36 18.744 -8.283 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 36 21.123 -9.854 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.582 -9.623 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 36 21.710 -7.527 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 36 21.794 -7.437 -8.639 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.187 -9.060 -8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.583 -8.738 -8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.237 -5.976 -7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 36 18.965 -7.221 -7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.493 -6.532 -5.886 1.00 0.00 H new ATOM 525 N LEU A 37 20.170 -10.706 -3.185 1.00 0.00 N ATOM 526 CA LEU A 37 19.927 -11.960 -2.481 1.00 0.00 C ATOM 527 C LEU A 37 18.677 -11.863 -1.611 1.00 0.00 C ATOM 528 O LEU A 37 17.911 -12.820 -1.498 1.00 0.00 O ATOM 529 CB LEU A 37 21.135 -12.326 -1.617 1.00 0.00 C ATOM 530 CG LEU A 37 22.331 -12.926 -2.357 1.00 0.00 C ATOM 531 CD1 LEU A 37 21.898 -14.122 -3.190 1.00 0.00 C ATOM 532 CD2 LEU A 37 22.998 -11.877 -3.234 1.00 0.00 C ATOM 0 H LEU A 37 21.076 -10.281 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 37 19.770 -12.741 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 37 21.469 -11.429 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.811 -13.036 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 37 23.056 -13.267 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 37 22.762 -14.536 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.468 -14.883 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 37 21.153 -13.806 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 37 23.847 -12.323 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 37 22.281 -11.505 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 37 23.345 -11.051 -2.613 1.00 0.00 H new ATOM 544 N ARG A 38 18.477 -10.700 -1.000 1.00 0.00 N ATOM 545 CA ARG A 38 17.320 -10.477 -0.141 1.00 0.00 C ATOM 546 C ARG A 38 16.152 -9.907 -0.940 1.00 0.00 C ATOM 547 O ARG A 38 16.348 -9.235 -1.954 1.00 0.00 O ATOM 548 CB ARG A 38 17.682 -9.527 1.002 1.00 0.00 C ATOM 549 CG ARG A 38 18.983 -9.884 1.701 1.00 0.00 C ATOM 550 CD ARG A 38 18.751 -10.849 2.853 1.00 0.00 C ATOM 551 NE ARG A 38 18.667 -12.234 2.397 1.00 0.00 N ATOM 552 CZ ARG A 38 18.792 -13.282 3.204 1.00 0.00 C ATOM 553 NH1 ARG A 38 19.003 -13.103 4.500 1.00 0.00 N ATOM 554 NH2 ARG A 38 18.703 -14.512 2.714 1.00 0.00 N ATOM 0 H ARG A 38 19.101 -9.898 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 38 17.018 -11.438 0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.756 -8.513 0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.874 -9.528 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.672 -10.331 0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.457 -8.977 2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 38 19.562 -10.753 3.575 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.830 -10.581 3.371 1.00 0.00 H new ATOM 0 HE ARG A 38 18.503 -12.406 1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.070 -12.159 4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.099 -13.909 5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.539 -14.653 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.799 -15.316 3.334 1.00 0.00 H new ATOM 568 N LYS A 39 14.936 -10.179 -0.478 1.00 0.00 N ATOM 569 CA LYS A 39 13.736 -9.693 -1.148 1.00 0.00 C ATOM 570 C LYS A 39 12.668 -9.300 -0.132 1.00 0.00 C ATOM 571 O LYS A 39 12.149 -10.132 0.613 1.00 0.00 O ATOM 572 CB LYS A 39 13.186 -10.763 -2.094 1.00 0.00 C ATOM 573 CG LYS A 39 11.869 -10.380 -2.746 1.00 0.00 C ATOM 574 CD LYS A 39 11.411 -11.435 -3.739 1.00 0.00 C ATOM 575 CE LYS A 39 12.229 -11.389 -5.020 1.00 0.00 C ATOM 576 NZ LYS A 39 11.546 -12.093 -6.140 1.00 0.00 N ATOM 0 H LYS A 39 14.756 -10.734 0.359 1.00 0.00 H new ATOM 0 HA LYS A 39 14.005 -8.809 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.923 -10.961 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.051 -11.691 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.107 -10.247 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.979 -9.423 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.497 -12.423 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.358 -11.282 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.408 -10.351 -5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.204 -11.845 -4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.136 -12.039 -6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.397 -13.090 -5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.627 -11.642 -6.324 1.00 0.00 H new ATOM 590 N PRO A 40 12.328 -8.003 -0.102 1.00 0.00 N ATOM 591 CA PRO A 40 11.317 -7.471 0.817 1.00 0.00 C ATOM 592 C PRO A 40 9.908 -7.932 0.458 1.00 0.00 C ATOM 593 O PRO A 40 9.672 -8.449 -0.634 1.00 0.00 O ATOM 594 CB PRO A 40 11.443 -5.955 0.644 1.00 0.00 C ATOM 595 CG PRO A 40 12.004 -5.775 -0.724 1.00 0.00 C ATOM 596 CD PRO A 40 12.905 -6.956 -0.961 1.00 0.00 C ATOM 0 HA PRO A 40 11.476 -7.812 1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.475 -5.464 0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.098 -5.523 1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.210 -5.734 -1.469 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.559 -4.840 -0.798 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.910 -7.254 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.937 -6.735 -0.688 1.00 0.00 H new ATOM 604 N THR A 41 8.974 -7.742 1.385 1.00 0.00 N ATOM 605 CA THR A 41 7.589 -8.139 1.167 1.00 0.00 C ATOM 606 C THR A 41 6.626 -7.054 1.636 1.00 0.00 C ATOM 607 O THR A 41 6.789 -6.493 2.720 1.00 0.00 O ATOM 608 CB THR A 41 7.260 -9.454 1.899 1.00 0.00 C ATOM 609 OG1 THR A 41 8.193 -10.472 1.521 1.00 0.00 O ATOM 610 CG2 THR A 41 5.845 -9.911 1.579 1.00 0.00 C ATOM 0 H THR A 41 9.152 -7.315 2.294 1.00 0.00 H new ATOM 0 HA THR A 41 7.468 -8.289 0.094 1.00 0.00 H new ATOM 0 HB THR A 41 7.334 -9.276 2.972 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.978 -11.304 1.992 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.635 -10.841 2.107 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.135 -9.146 1.895 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.749 -10.073 0.505 1.00 0.00 H new ATOM 618 N ILE A 42 5.623 -6.765 0.814 1.00 0.00 N ATOM 619 CA ILE A 42 4.632 -5.748 1.147 1.00 0.00 C ATOM 620 C ILE A 42 3.270 -6.376 1.418 1.00 0.00 C ATOM 621 O ILE A 42 2.753 -7.141 0.603 1.00 0.00 O ATOM 622 CB ILE A 42 4.491 -4.710 0.019 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.538 -3.590 0.443 1.00 0.00 C ATOM 624 CG2 ILE A 42 3.998 -5.377 -1.257 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.517 -2.420 -0.515 1.00 0.00 C ATOM 0 H ILE A 42 5.475 -7.220 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 42 4.984 -5.247 2.049 1.00 0.00 H new ATOM 0 HB ILE A 42 5.470 -4.274 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.530 -3.995 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.826 -3.234 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.903 -4.630 -2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.710 -6.142 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.027 -5.837 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.820 -1.665 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.516 -1.989 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.200 -2.762 -1.500 1.00 0.00 H new ATOM 637 N LYS A 43 2.691 -6.047 2.568 1.00 0.00 N ATOM 638 CA LYS A 43 1.386 -6.576 2.947 1.00 0.00 C ATOM 639 C LYS A 43 0.361 -5.454 3.076 1.00 0.00 C ATOM 640 O LYS A 43 0.529 -4.536 3.878 1.00 0.00 O ATOM 641 CB LYS A 43 1.488 -7.342 4.268 1.00 0.00 C ATOM 642 CG LYS A 43 0.269 -8.197 4.571 1.00 0.00 C ATOM 643 CD LYS A 43 0.362 -9.556 3.898 1.00 0.00 C ATOM 644 CE LYS A 43 1.252 -10.507 4.682 1.00 0.00 C ATOM 645 NZ LYS A 43 1.555 -11.746 3.913 1.00 0.00 N ATOM 0 H LYS A 43 3.105 -5.416 3.254 1.00 0.00 H new ATOM 0 HA LYS A 43 1.056 -7.258 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.371 -7.980 4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.633 -6.630 5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.175 -8.329 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.631 -7.683 4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.636 -9.985 3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.755 -9.437 2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.183 -10.003 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.763 -10.772 5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.164 -12.368 4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.668 -12.241 3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.045 -11.496 3.030 1.00 0.00 H new ATOM 659 N TRP A 44 -0.701 -5.535 2.282 1.00 0.00 N ATOM 660 CA TRP A 44 -1.754 -4.526 2.308 1.00 0.00 C ATOM 661 C TRP A 44 -2.839 -4.899 3.312 1.00 0.00 C ATOM 662 O TRP A 44 -3.354 -6.018 3.298 1.00 0.00 O ATOM 663 CB TRP A 44 -2.364 -4.360 0.916 1.00 0.00 C ATOM 664 CG TRP A 44 -1.344 -4.124 -0.156 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.507 -5.050 -0.710 1.00 0.00 C ATOM 666 CD2 TRP A 44 -1.051 -2.880 -0.802 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.288 -4.457 -1.660 1.00 0.00 N ATOM 668 CE2 TRP A 44 -0.027 -3.126 -1.737 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.557 -1.582 -0.683 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.500 -2.122 -2.545 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -1.032 -0.587 -1.485 1.00 0.00 C ATOM 672 CH2 TRP A 44 -0.013 -0.861 -2.407 1.00 0.00 C ATOM 0 H TRP A 44 -0.856 -6.289 1.612 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.310 -3.580 2.616 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.939 -5.253 0.670 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.064 -3.525 0.931 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.475 -6.095 -0.441 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.998 -4.931 -2.218 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.344 -1.361 0.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.286 -2.331 -3.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.414 0.420 -1.400 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.375 -0.061 -3.021 1.00 0.00 H new ATOM 683 N PHE A 45 -3.184 -3.956 4.182 1.00 0.00 N ATOM 684 CA PHE A 45 -4.209 -4.186 5.193 1.00 0.00 C ATOM 685 C PHE A 45 -5.322 -3.147 5.086 1.00 0.00 C ATOM 686 O PHE A 45 -5.079 -1.995 4.727 1.00 0.00 O ATOM 687 CB PHE A 45 -3.592 -4.147 6.593 1.00 0.00 C ATOM 688 CG PHE A 45 -2.870 -5.410 6.965 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.563 -6.496 7.474 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.497 -5.511 6.807 1.00 0.00 C ATOM 691 CE1 PHE A 45 -2.902 -7.660 7.817 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.830 -6.672 7.148 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.533 -7.748 7.655 1.00 0.00 C ATOM 0 H PHE A 45 -2.769 -3.025 4.207 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.639 -5.172 5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.897 -3.310 6.652 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.379 -3.959 7.323 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.633 -6.432 7.604 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.942 -4.673 6.413 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.455 -8.500 8.211 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.240 -6.738 7.018 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.013 -8.656 7.924 1.00 0.00 H new ATOM 703 N LYS A 46 -6.544 -3.564 5.401 1.00 0.00 N ATOM 704 CA LYS A 46 -7.696 -2.672 5.341 1.00 0.00 C ATOM 705 C LYS A 46 -8.407 -2.613 6.689 1.00 0.00 C ATOM 706 O LYS A 46 -8.339 -3.552 7.480 1.00 0.00 O ATOM 707 CB LYS A 46 -8.671 -3.136 4.257 1.00 0.00 C ATOM 708 CG LYS A 46 -9.884 -2.235 4.104 1.00 0.00 C ATOM 709 CD LYS A 46 -9.533 -0.947 3.378 1.00 0.00 C ATOM 710 CE LYS A 46 -10.738 -0.025 3.267 1.00 0.00 C ATOM 711 NZ LYS A 46 -11.337 0.269 4.598 1.00 0.00 N ATOM 0 H LYS A 46 -6.762 -4.514 5.701 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.338 -1.672 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.144 -3.187 3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.007 -4.146 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.664 -2.763 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.291 -2.000 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.730 -0.436 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.159 -1.180 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.438 0.908 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.489 -0.485 2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.067 1.003 4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.767 -0.596 4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.596 0.605 5.246 1.00 0.00 H new ATOM 725 N GLY A 47 -9.093 -1.502 6.943 1.00 0.00 N ATOM 726 CA GLY A 47 -9.809 -1.342 8.195 1.00 0.00 C ATOM 727 C GLY A 47 -8.885 -1.353 9.397 1.00 0.00 C ATOM 728 O GLY A 47 -7.932 -0.576 9.465 1.00 0.00 O ATOM 0 H GLY A 47 -9.165 -0.710 6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.364 -0.404 8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.541 -2.143 8.296 1.00 0.00 H new ATOM 732 N LYS A 48 -9.166 -2.235 10.350 1.00 0.00 N ATOM 733 CA LYS A 48 -8.354 -2.345 11.555 1.00 0.00 C ATOM 734 C LYS A 48 -7.452 -3.574 11.494 1.00 0.00 C ATOM 735 O LYS A 48 -6.238 -3.473 11.676 1.00 0.00 O ATOM 736 CB LYS A 48 -9.250 -2.419 12.794 1.00 0.00 C ATOM 737 CG LYS A 48 -9.590 -1.060 13.381 1.00 0.00 C ATOM 738 CD LYS A 48 -9.824 -1.143 14.880 1.00 0.00 C ATOM 739 CE LYS A 48 -10.863 -2.199 15.225 1.00 0.00 C ATOM 740 NZ LYS A 48 -12.232 -1.620 15.316 1.00 0.00 N ATOM 0 H LYS A 48 -9.951 -2.885 10.311 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.725 -1.457 11.621 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.174 -2.934 12.533 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.754 -3.020 13.556 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.779 -0.361 13.177 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.482 -0.665 12.894 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.886 -1.376 15.383 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.153 -0.173 15.252 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.850 -2.983 14.468 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.603 -2.668 16.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.911 -2.371 15.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.251 -0.890 16.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.490 -1.195 14.403 1.00 0.00 H new ATOM 754 N TRP A 49 -8.051 -4.730 11.234 1.00 0.00 N ATOM 755 CA TRP A 49 -7.301 -5.977 11.147 1.00 0.00 C ATOM 756 C TRP A 49 -7.725 -6.783 9.925 1.00 0.00 C ATOM 757 O TRP A 49 -7.789 -8.011 9.971 1.00 0.00 O ATOM 758 CB TRP A 49 -7.502 -6.807 12.416 1.00 0.00 C ATOM 759 CG TRP A 49 -7.643 -5.975 13.654 1.00 0.00 C ATOM 760 CD1 TRP A 49 -8.800 -5.471 14.176 1.00 0.00 C ATOM 761 CD2 TRP A 49 -6.589 -5.548 14.525 1.00 0.00 C ATOM 762 NE1 TRP A 49 -8.530 -4.757 15.318 1.00 0.00 N ATOM 763 CE2 TRP A 49 -7.181 -4.790 15.554 1.00 0.00 C ATOM 764 CE3 TRP A 49 -5.205 -5.735 14.536 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -6.434 -4.219 16.581 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -4.464 -5.167 15.555 1.00 0.00 C ATOM 767 CH2 TRP A 49 -5.080 -4.418 16.567 1.00 0.00 C ATOM 0 H TRP A 49 -9.054 -4.830 11.080 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.244 -5.730 11.047 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.392 -7.426 12.300 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.656 -7.484 12.536 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.783 -5.613 13.753 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -9.222 -4.280 15.896 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.722 -6.313 13.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.906 -3.640 17.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -3.393 -5.302 15.572 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.474 -3.989 17.351 1.00 0.00 H new ATOM 778 N MET A 50 -8.014 -6.085 8.831 1.00 0.00 N ATOM 779 CA MET A 50 -8.431 -6.738 7.596 1.00 0.00 C ATOM 780 C MET A 50 -7.230 -7.019 6.698 1.00 0.00 C ATOM 781 O MET A 50 -6.437 -6.123 6.407 1.00 0.00 O ATOM 782 CB MET A 50 -9.446 -5.868 6.852 1.00 0.00 C ATOM 783 CG MET A 50 -10.469 -6.669 6.063 1.00 0.00 C ATOM 784 SD MET A 50 -9.743 -7.527 4.653 1.00 0.00 S ATOM 785 CE MET A 50 -10.479 -6.626 3.292 1.00 0.00 C ATOM 0 H MET A 50 -7.967 -5.068 8.775 1.00 0.00 H new ATOM 0 HA MET A 50 -8.899 -7.688 7.856 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.967 -5.236 7.571 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.913 -5.204 6.172 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.941 -7.397 6.722 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.255 -6.001 5.711 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.072 -6.993 2.350 1.00 0.00 H new ATOM 0 HE2 MET A 50 -11.559 -6.771 3.302 1.00 0.00 H new ATOM 0 HE3 MET A 50 -10.255 -5.564 3.395 1.00 0.00 H new ATOM 795 N ASP A 51 -7.102 -8.268 6.263 1.00 0.00 N ATOM 796 CA ASP A 51 -5.999 -8.667 5.397 1.00 0.00 C ATOM 797 C ASP A 51 -6.466 -8.810 3.952 1.00 0.00 C ATOM 798 O ASP A 51 -7.196 -9.742 3.613 1.00 0.00 O ATOM 799 CB ASP A 51 -5.392 -9.984 5.883 1.00 0.00 C ATOM 800 CG ASP A 51 -3.926 -10.115 5.520 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.567 -9.776 4.373 1.00 0.00 O ATOM 802 OD2 ASP A 51 -3.138 -10.558 6.382 1.00 0.00 O ATOM 0 H ASP A 51 -7.749 -9.021 6.496 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.238 -7.888 5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.503 -10.054 6.965 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.946 -10.817 5.451 1.00 0.00 H new ATOM 807 N LEU A 52 -6.041 -7.880 3.104 1.00 0.00 N ATOM 808 CA LEU A 52 -6.416 -7.901 1.694 1.00 0.00 C ATOM 809 C LEU A 52 -5.689 -9.019 0.954 1.00 0.00 C ATOM 810 O LEU A 52 -6.187 -9.544 -0.042 1.00 0.00 O ATOM 811 CB LEU A 52 -6.102 -6.553 1.042 1.00 0.00 C ATOM 812 CG LEU A 52 -6.559 -5.313 1.811 1.00 0.00 C ATOM 813 CD1 LEU A 52 -5.992 -4.053 1.176 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.078 -5.248 1.865 1.00 0.00 C ATOM 0 H LEU A 52 -5.437 -7.102 3.368 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.488 -8.086 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.024 -6.487 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.563 -6.534 0.054 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.182 -5.383 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.328 -3.180 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.903 -4.097 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.338 -3.977 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.385 -4.359 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.476 -5.202 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.463 -6.136 2.366 1.00 0.00 H new ATOM 826 N ALA A 53 -4.509 -9.379 1.448 1.00 0.00 N ATOM 827 CA ALA A 53 -3.715 -10.437 0.836 1.00 0.00 C ATOM 828 C ALA A 53 -4.579 -11.649 0.503 1.00 0.00 C ATOM 829 O ALA A 53 -4.653 -12.072 -0.650 1.00 0.00 O ATOM 830 CB ALA A 53 -2.572 -10.838 1.756 1.00 0.00 C ATOM 0 H ALA A 53 -4.082 -8.953 2.271 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.299 -10.053 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.987 -11.629 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.933 -9.974 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.976 -11.198 2.702 1.00 0.00 H new ATOM 836 N SER A 54 -5.230 -12.203 1.521 1.00 0.00 N ATOM 837 CA SER A 54 -6.085 -13.370 1.337 1.00 0.00 C ATOM 838 C SER A 54 -7.340 -13.005 0.549 1.00 0.00 C ATOM 839 O SER A 54 -7.926 -13.845 -0.133 1.00 0.00 O ATOM 840 CB SER A 54 -6.475 -13.962 2.693 1.00 0.00 C ATOM 841 OG SER A 54 -5.478 -13.705 3.667 1.00 0.00 O ATOM 0 H SER A 54 -5.182 -11.863 2.481 1.00 0.00 H new ATOM 0 HA SER A 54 -5.525 -14.114 0.771 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.425 -13.538 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.623 -15.037 2.595 1.00 0.00 H new ATOM 0 HG SER A 54 -5.751 -14.092 4.525 1.00 0.00 H new ATOM 847 N LYS A 55 -7.746 -11.744 0.648 1.00 0.00 N ATOM 848 CA LYS A 55 -8.930 -11.264 -0.055 1.00 0.00 C ATOM 849 C LYS A 55 -8.667 -11.159 -1.554 1.00 0.00 C ATOM 850 O LYS A 55 -9.580 -11.311 -2.366 1.00 0.00 O ATOM 851 CB LYS A 55 -9.358 -9.901 0.495 1.00 0.00 C ATOM 852 CG LYS A 55 -9.605 -9.901 1.993 1.00 0.00 C ATOM 853 CD LYS A 55 -11.000 -10.402 2.328 1.00 0.00 C ATOM 854 CE LYS A 55 -11.503 -9.817 3.639 1.00 0.00 C ATOM 855 NZ LYS A 55 -12.740 -10.497 4.112 1.00 0.00 N ATOM 0 H LYS A 55 -7.272 -11.035 1.208 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.734 -11.982 0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.587 -9.166 0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.267 -9.582 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.863 -10.530 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.476 -8.892 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.686 -10.137 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.991 -11.490 2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.726 -9.907 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.701 -8.753 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.050 -10.069 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.489 -10.390 3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.545 -11.508 4.260 1.00 0.00 H new ATOM 869 N ALA A 56 -7.415 -10.900 -1.914 1.00 0.00 N ATOM 870 CA ALA A 56 -7.032 -10.779 -3.315 1.00 0.00 C ATOM 871 C ALA A 56 -7.337 -12.062 -4.081 1.00 0.00 C ATOM 872 O ALA A 56 -6.686 -13.087 -3.880 1.00 0.00 O ATOM 873 CB ALA A 56 -5.555 -10.433 -3.431 1.00 0.00 C ATOM 0 H ALA A 56 -6.648 -10.770 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.619 -9.974 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.283 -10.346 -4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.362 -9.486 -2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.960 -11.219 -2.966 1.00 0.00 H new ATOM 879 N GLY A 57 -8.334 -11.999 -4.959 1.00 0.00 N ATOM 880 CA GLY A 57 -8.709 -13.163 -5.740 1.00 0.00 C ATOM 881 C GLY A 57 -9.218 -12.796 -7.120 1.00 0.00 C ATOM 882 O GLY A 57 -8.528 -12.999 -8.120 1.00 0.00 O ATOM 0 H GLY A 57 -8.888 -11.163 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.848 -13.824 -5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.480 -13.721 -5.208 1.00 0.00 H new ATOM 886 N LYS A 58 -10.430 -12.254 -7.177 1.00 0.00 N ATOM 887 CA LYS A 58 -11.033 -11.857 -8.444 1.00 0.00 C ATOM 888 C LYS A 58 -11.280 -10.353 -8.481 1.00 0.00 C ATOM 889 O LYS A 58 -10.791 -9.655 -9.370 1.00 0.00 O ATOM 890 CB LYS A 58 -12.349 -12.607 -8.663 1.00 0.00 C ATOM 891 CG LYS A 58 -12.410 -13.948 -7.952 1.00 0.00 C ATOM 892 CD LYS A 58 -13.299 -14.932 -8.694 1.00 0.00 C ATOM 893 CE LYS A 58 -14.772 -14.588 -8.527 1.00 0.00 C ATOM 894 NZ LYS A 58 -15.609 -15.204 -9.593 1.00 0.00 N ATOM 0 H LYS A 58 -11.014 -12.079 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.339 -12.113 -9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.174 -11.984 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.494 -12.765 -9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.405 -14.360 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.788 -13.807 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.041 -14.930 -9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.116 -15.941 -8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.117 -14.930 -7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.897 -13.505 -8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.606 -14.946 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.297 -14.858 -10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.510 -16.239 -9.558 1.00 0.00 H new ATOM 908 N HIS A 59 -12.042 -9.859 -7.510 1.00 0.00 N ATOM 909 CA HIS A 59 -12.353 -8.436 -7.431 1.00 0.00 C ATOM 910 C HIS A 59 -11.093 -7.619 -7.158 1.00 0.00 C ATOM 911 O HIS A 59 -10.951 -6.496 -7.644 1.00 0.00 O ATOM 912 CB HIS A 59 -13.388 -8.178 -6.336 1.00 0.00 C ATOM 913 CG HIS A 59 -14.750 -8.711 -6.662 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.485 -8.283 -7.747 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.508 -9.643 -6.039 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.638 -8.928 -7.777 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.676 -9.760 -6.752 1.00 0.00 N ATOM 0 H HIS A 59 -12.455 -10.423 -6.767 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.766 -8.126 -8.391 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.042 -8.631 -5.407 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.459 -7.105 -6.160 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.244 -10.192 -5.147 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.416 -8.797 -8.514 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.448 -10.388 -6.526 1.00 0.00 H new ATOM 926 N LEU A 60 -10.182 -8.189 -6.378 1.00 0.00 N ATOM 927 CA LEU A 60 -8.933 -7.514 -6.040 1.00 0.00 C ATOM 928 C LEU A 60 -7.731 -8.312 -6.534 1.00 0.00 C ATOM 929 O LEU A 60 -7.756 -9.542 -6.551 1.00 0.00 O ATOM 930 CB LEU A 60 -8.836 -7.307 -4.527 1.00 0.00 C ATOM 931 CG LEU A 60 -7.452 -6.944 -3.987 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.268 -5.435 -3.965 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.253 -7.528 -2.596 1.00 0.00 C ATOM 0 H LEU A 60 -10.284 -9.117 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.928 -6.543 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.533 -6.519 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.169 -8.220 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.700 -7.372 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.278 -5.195 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.367 -5.042 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.027 -4.985 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.263 -7.260 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.011 -7.130 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.342 -8.613 -2.641 1.00 0.00 H new ATOM 945 N GLN A 61 -6.680 -7.602 -6.932 1.00 0.00 N ATOM 946 CA GLN A 61 -5.468 -8.245 -7.425 1.00 0.00 C ATOM 947 C GLN A 61 -4.236 -7.409 -7.097 1.00 0.00 C ATOM 948 O GLN A 61 -4.167 -6.226 -7.434 1.00 0.00 O ATOM 949 CB GLN A 61 -5.561 -8.466 -8.936 1.00 0.00 C ATOM 950 CG GLN A 61 -6.692 -9.394 -9.347 1.00 0.00 C ATOM 951 CD GLN A 61 -6.309 -10.858 -9.254 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.748 -11.426 -10.192 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.611 -11.479 -8.120 1.00 0.00 N ATOM 0 H GLN A 61 -6.644 -6.583 -6.923 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.372 -9.211 -6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.696 -7.503 -9.428 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.617 -8.877 -9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.558 -9.208 -8.712 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.991 -9.165 -10.370 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.076 -10.970 -7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.378 -12.465 -8.001 1.00 0.00 H new ATOM 962 N LEU A 62 -3.264 -8.030 -6.437 1.00 0.00 N ATOM 963 CA LEU A 62 -2.034 -7.342 -6.061 1.00 0.00 C ATOM 964 C LEU A 62 -0.932 -7.600 -7.085 1.00 0.00 C ATOM 965 O LEU A 62 -0.940 -8.618 -7.778 1.00 0.00 O ATOM 966 CB LEU A 62 -1.574 -7.797 -4.675 1.00 0.00 C ATOM 967 CG LEU A 62 -2.647 -7.817 -3.586 1.00 0.00 C ATOM 968 CD1 LEU A 62 -2.106 -8.453 -2.315 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.150 -6.408 -3.307 1.00 0.00 C ATOM 0 H LEU A 62 -3.304 -9.008 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.239 -6.272 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.156 -8.800 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.766 -7.142 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.485 -8.417 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.884 -8.458 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.796 -9.477 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.250 -7.880 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.913 -6.441 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.320 -5.785 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.578 -5.987 -4.217 1.00 0.00 H new ATOM 981 N LYS A 63 0.016 -6.673 -7.172 1.00 0.00 N ATOM 982 CA LYS A 63 1.127 -6.801 -8.108 1.00 0.00 C ATOM 983 C LYS A 63 2.460 -6.566 -7.404 1.00 0.00 C ATOM 984 O LYS A 63 2.543 -5.782 -6.459 1.00 0.00 O ATOM 985 CB LYS A 63 0.966 -5.809 -9.262 1.00 0.00 C ATOM 986 CG LYS A 63 1.506 -6.322 -10.585 1.00 0.00 C ATOM 987 CD LYS A 63 1.045 -5.459 -11.748 1.00 0.00 C ATOM 988 CE LYS A 63 1.758 -4.116 -11.763 1.00 0.00 C ATOM 989 NZ LYS A 63 3.162 -4.239 -12.245 1.00 0.00 N ATOM 0 H LYS A 63 0.037 -5.825 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 63 1.119 -7.816 -8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.091 -5.569 -9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.477 -4.881 -9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.595 -6.339 -10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.176 -7.349 -10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.231 -5.981 -12.686 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.031 -5.300 -11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.213 -3.423 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.754 -3.692 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.782 -3.638 -11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.470 -5.229 -12.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.216 -3.936 -13.238 1.00 0.00 H new ATOM 1003 N GLU A 64 3.500 -7.249 -7.873 1.00 0.00 N ATOM 1004 CA GLU A 64 4.828 -7.113 -7.287 1.00 0.00 C ATOM 1005 C GLU A 64 5.911 -7.406 -8.322 1.00 0.00 C ATOM 1006 O GLU A 64 5.858 -8.415 -9.026 1.00 0.00 O ATOM 1007 CB GLU A 64 4.982 -8.055 -6.092 1.00 0.00 C ATOM 1008 CG GLU A 64 6.426 -8.410 -5.778 1.00 0.00 C ATOM 1009 CD GLU A 64 6.576 -9.126 -4.450 1.00 0.00 C ATOM 1010 OE1 GLU A 64 5.977 -8.665 -3.456 1.00 0.00 O ATOM 1011 OE2 GLU A 64 7.291 -10.149 -4.406 1.00 0.00 O ATOM 0 H GLU A 64 3.448 -7.901 -8.656 1.00 0.00 H new ATOM 0 HA GLU A 64 4.943 -6.084 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.532 -7.591 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.426 -8.972 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.822 -9.041 -6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.025 -7.500 -5.765 1.00 0.00 H new ATOM 1018 N THR A 65 6.894 -6.515 -8.410 1.00 0.00 N ATOM 1019 CA THR A 65 7.989 -6.676 -9.359 1.00 0.00 C ATOM 1020 C THR A 65 9.284 -6.089 -8.809 1.00 0.00 C ATOM 1021 O THR A 65 9.273 -5.351 -7.824 1.00 0.00 O ATOM 1022 CB THR A 65 7.666 -6.004 -10.707 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.620 -6.408 -11.696 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.678 -4.489 -10.573 1.00 0.00 C ATOM 0 H THR A 65 6.954 -5.674 -7.835 1.00 0.00 H new ATOM 0 HA THR A 65 8.117 -7.747 -9.516 1.00 0.00 H new ATOM 0 HB THR A 65 6.668 -6.318 -11.015 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.407 -5.978 -12.551 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.447 -4.037 -11.537 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.931 -4.183 -9.841 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.664 -4.161 -10.245 1.00 0.00 H new ATOM 1032 N PHE A 66 10.398 -6.422 -9.452 1.00 0.00 N ATOM 1033 CA PHE A 66 11.703 -5.928 -9.026 1.00 0.00 C ATOM 1034 C PHE A 66 12.538 -5.493 -10.227 1.00 0.00 C ATOM 1035 O PHE A 66 12.450 -6.083 -11.303 1.00 0.00 O ATOM 1036 CB PHE A 66 12.447 -7.006 -8.237 1.00 0.00 C ATOM 1037 CG PHE A 66 13.887 -6.669 -7.971 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.229 -5.776 -6.969 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.897 -7.244 -8.725 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.553 -5.463 -6.721 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.222 -6.936 -8.482 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.550 -6.043 -7.480 1.00 0.00 C ATOM 0 H PHE A 66 10.424 -7.031 -10.270 1.00 0.00 H new ATOM 0 HA PHE A 66 11.544 -5.062 -8.383 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.938 -7.165 -7.286 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.398 -7.946 -8.787 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.452 -5.319 -6.374 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.646 -7.941 -9.511 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.807 -4.767 -5.935 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.001 -7.393 -9.075 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.585 -5.799 -7.291 1.00 0.00 H new ATOM 1052 N GLU A 67 13.346 -4.456 -10.033 1.00 0.00 N ATOM 1053 CA GLU A 67 14.196 -3.941 -11.100 1.00 0.00 C ATOM 1054 C GLU A 67 15.647 -3.835 -10.638 1.00 0.00 C ATOM 1055 O GLU A 67 16.017 -2.899 -9.930 1.00 0.00 O ATOM 1056 CB GLU A 67 13.696 -2.571 -11.564 1.00 0.00 C ATOM 1057 CG GLU A 67 12.681 -2.643 -12.692 1.00 0.00 C ATOM 1058 CD GLU A 67 12.312 -1.276 -13.233 1.00 0.00 C ATOM 1059 OE1 GLU A 67 12.255 -0.317 -12.436 1.00 0.00 O ATOM 1060 OE2 GLU A 67 12.081 -1.165 -14.456 1.00 0.00 O ATOM 0 H GLU A 67 13.430 -3.956 -9.148 1.00 0.00 H new ATOM 0 HA GLU A 67 14.149 -4.640 -11.935 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.249 -2.051 -10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.548 -1.974 -11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.085 -3.253 -13.500 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.781 -3.143 -12.334 1.00 0.00 H new ATOM 1067 N ARG A 68 16.462 -4.803 -11.044 1.00 0.00 N ATOM 1068 CA ARG A 68 17.872 -4.821 -10.671 1.00 0.00 C ATOM 1069 C ARG A 68 18.604 -3.615 -11.254 1.00 0.00 C ATOM 1070 O ARG A 68 19.611 -3.164 -10.708 1.00 0.00 O ATOM 1071 CB ARG A 68 18.532 -6.114 -11.152 1.00 0.00 C ATOM 1072 CG ARG A 68 17.957 -6.643 -12.456 1.00 0.00 C ATOM 1073 CD ARG A 68 16.834 -7.637 -12.206 1.00 0.00 C ATOM 1074 NE ARG A 68 17.328 -9.008 -12.112 1.00 0.00 N ATOM 1075 CZ ARG A 68 16.569 -10.040 -11.759 1.00 0.00 C ATOM 1076 NH1 ARG A 68 15.289 -9.857 -11.468 1.00 0.00 N ATOM 1077 NH2 ARG A 68 17.091 -11.258 -11.696 1.00 0.00 N ATOM 0 H ARG A 68 16.171 -5.585 -11.631 1.00 0.00 H new ATOM 0 HA ARG A 68 17.935 -4.772 -9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.601 -5.941 -11.280 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.423 -6.876 -10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.583 -5.812 -13.054 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.746 -7.122 -13.035 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.316 -7.374 -11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.104 -7.569 -13.012 1.00 0.00 H new ATOM 0 HE ARG A 68 18.309 -9.183 -12.329 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.884 -8.922 -11.515 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.709 -10.651 -11.197 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.076 -11.403 -11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.508 -12.050 -11.425 1.00 0.00 H new ATOM 1091 N HIS A 69 18.090 -3.098 -12.366 1.00 0.00 N ATOM 1092 CA HIS A 69 18.695 -1.945 -13.023 1.00 0.00 C ATOM 1093 C HIS A 69 18.930 -0.814 -12.027 1.00 0.00 C ATOM 1094 O HIS A 69 19.951 -0.127 -12.081 1.00 0.00 O ATOM 1095 CB HIS A 69 17.804 -1.457 -14.166 1.00 0.00 C ATOM 1096 CG HIS A 69 17.326 -2.557 -15.063 1.00 0.00 C ATOM 1097 ND1 HIS A 69 16.111 -3.187 -14.899 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.906 -3.137 -16.140 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.965 -4.108 -15.834 1.00 0.00 C ATOM 1100 NE2 HIS A 69 17.040 -4.098 -16.601 1.00 0.00 N ATOM 0 H HIS A 69 17.257 -3.459 -12.830 1.00 0.00 H new ATOM 0 HA HIS A 69 19.658 -2.253 -13.430 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.941 -0.939 -13.748 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.355 -0.728 -14.760 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.870 -2.890 -16.559 1.00 0.00 H new ATOM 0 HE1 HIS A 69 15.111 -4.759 -15.952 1.00 0.00 H new ATOM 0 HE2 HIS A 69 17.201 -4.705 -17.405 1.00 0.00 H new ATOM 1109 N SER A 70 17.978 -0.624 -11.118 1.00 0.00 N ATOM 1110 CA SER A 70 18.079 0.427 -10.113 1.00 0.00 C ATOM 1111 C SER A 70 18.066 -0.163 -8.706 1.00 0.00 C ATOM 1112 O SER A 70 18.177 0.560 -7.716 1.00 0.00 O ATOM 1113 CB SER A 70 16.930 1.425 -10.270 1.00 0.00 C ATOM 1114 OG SER A 70 17.244 2.664 -9.658 1.00 0.00 O ATOM 0 H SER A 70 17.128 -1.185 -11.058 1.00 0.00 H new ATOM 0 HA SER A 70 19.025 0.947 -10.262 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.722 1.581 -11.328 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.024 1.015 -9.824 1.00 0.00 H new ATOM 0 HG SER A 70 17.653 2.502 -8.782 1.00 0.00 H new ATOM 1120 N ARG A 71 17.929 -1.483 -8.626 1.00 0.00 N ATOM 1121 CA ARG A 71 17.899 -2.172 -7.342 1.00 0.00 C ATOM 1122 C ARG A 71 16.743 -1.670 -6.482 1.00 0.00 C ATOM 1123 O ARG A 71 16.910 -1.402 -5.292 1.00 0.00 O ATOM 1124 CB ARG A 71 19.223 -1.972 -6.601 1.00 0.00 C ATOM 1125 CG ARG A 71 20.429 -2.508 -7.355 1.00 0.00 C ATOM 1126 CD ARG A 71 21.523 -2.965 -6.402 1.00 0.00 C ATOM 1127 NE ARG A 71 22.854 -2.815 -6.985 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.539 -1.677 -6.967 1.00 0.00 C ATOM 1129 NH1 ARG A 71 23.022 -0.596 -6.399 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.745 -1.619 -7.518 1.00 0.00 N ATOM 0 H ARG A 71 17.837 -2.096 -9.436 1.00 0.00 H new ATOM 0 HA ARG A 71 17.753 -3.235 -7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.367 -0.908 -6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.164 -2.464 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.123 -3.342 -7.987 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.820 -1.734 -8.016 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.464 -2.388 -5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.359 -4.009 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 71 23.280 -3.628 -7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.096 -0.637 -5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.551 0.276 -6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 71 25.146 -2.448 -7.956 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.271 -0.745 -7.504 1.00 0.00 H new ATOM 1144 N VAL A 72 15.569 -1.545 -7.094 1.00 0.00 N ATOM 1145 CA VAL A 72 14.384 -1.076 -6.385 1.00 0.00 C ATOM 1146 C VAL A 72 13.161 -1.913 -6.745 1.00 0.00 C ATOM 1147 O VAL A 72 12.938 -2.234 -7.912 1.00 0.00 O ATOM 1148 CB VAL A 72 14.091 0.403 -6.698 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.825 0.859 -5.989 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.274 1.275 -6.306 1.00 0.00 C ATOM 0 H VAL A 72 15.413 -1.762 -8.078 1.00 0.00 H new ATOM 0 HA VAL A 72 14.591 -1.180 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 72 13.934 0.504 -7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.635 1.907 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.983 0.254 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.949 0.744 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.049 2.317 -6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.465 1.170 -5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.157 0.963 -6.865 1.00 0.00 H new ATOM 1160 N TYR A 73 12.372 -2.261 -5.735 1.00 0.00 N ATOM 1161 CA TYR A 73 11.172 -3.062 -5.945 1.00 0.00 C ATOM 1162 C TYR A 73 9.962 -2.172 -6.213 1.00 0.00 C ATOM 1163 O TYR A 73 9.848 -1.076 -5.663 1.00 0.00 O ATOM 1164 CB TYR A 73 10.906 -3.949 -4.727 1.00 0.00 C ATOM 1165 CG TYR A 73 11.931 -5.045 -4.541 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.195 -4.762 -4.038 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.635 -6.363 -4.867 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.135 -5.760 -3.866 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.569 -7.367 -4.698 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.817 -7.061 -4.198 1.00 0.00 C ATOM 1171 OH TYR A 73 14.750 -8.058 -4.027 1.00 0.00 O ATOM 0 H TYR A 73 12.541 -2.001 -4.763 1.00 0.00 H new ATOM 0 HA TYR A 73 11.336 -3.694 -6.818 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.885 -3.327 -3.832 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.918 -4.400 -4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.447 -3.745 -3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.659 -6.607 -5.259 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.113 -5.523 -3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.323 -8.386 -4.956 1.00 0.00 H new ATOM 0 HH TYR A 73 15.236 -7.911 -3.189 1.00 0.00 H new ATOM 1181 N THR A 74 9.060 -2.651 -7.064 1.00 0.00 N ATOM 1182 CA THR A 74 7.859 -1.900 -7.407 1.00 0.00 C ATOM 1183 C THR A 74 6.602 -2.719 -7.135 1.00 0.00 C ATOM 1184 O THR A 74 6.258 -3.620 -7.900 1.00 0.00 O ATOM 1185 CB THR A 74 7.868 -1.471 -8.887 1.00 0.00 C ATOM 1186 OG1 THR A 74 9.087 -0.785 -9.190 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.682 -0.570 -9.196 1.00 0.00 C ATOM 0 H THR A 74 9.139 -3.556 -7.528 1.00 0.00 H new ATOM 0 HA THR A 74 7.853 -1.010 -6.778 1.00 0.00 H new ATOM 0 HB THR A 74 7.793 -2.367 -9.503 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.086 -0.517 -10.133 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.709 -0.280 -10.246 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.755 -1.106 -8.992 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.731 0.322 -8.572 1.00 0.00 H new ATOM 1195 N PHE A 75 5.919 -2.400 -6.040 1.00 0.00 N ATOM 1196 CA PHE A 75 4.699 -3.107 -5.667 1.00 0.00 C ATOM 1197 C PHE A 75 3.466 -2.264 -5.977 1.00 0.00 C ATOM 1198 O PHE A 75 3.450 -1.057 -5.738 1.00 0.00 O ATOM 1199 CB PHE A 75 4.726 -3.463 -4.179 1.00 0.00 C ATOM 1200 CG PHE A 75 6.029 -4.059 -3.729 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.615 -5.094 -4.440 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.668 -3.586 -2.594 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.814 -5.645 -4.029 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.867 -4.132 -2.179 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.440 -5.164 -2.896 1.00 0.00 C ATOM 0 H PHE A 75 6.190 -1.657 -5.396 1.00 0.00 H new ATOM 0 HA PHE A 75 4.647 -4.025 -6.253 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.526 -2.565 -3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.921 -4.167 -3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.129 -5.475 -5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.223 -2.781 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.261 -6.450 -4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.356 -3.752 -1.294 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.376 -5.594 -2.571 1.00 0.00 H new ATOM 1215 N GLU A 76 2.434 -2.910 -6.512 1.00 0.00 N ATOM 1216 CA GLU A 76 1.197 -2.220 -6.857 1.00 0.00 C ATOM 1217 C GLU A 76 -0.014 -2.968 -6.307 1.00 0.00 C ATOM 1218 O GLU A 76 0.089 -4.125 -5.900 1.00 0.00 O ATOM 1219 CB GLU A 76 1.074 -2.074 -8.375 1.00 0.00 C ATOM 1220 CG GLU A 76 2.340 -1.564 -9.042 1.00 0.00 C ATOM 1221 CD GLU A 76 3.328 -2.674 -9.345 1.00 0.00 C ATOM 1222 OE1 GLU A 76 3.286 -3.711 -8.650 1.00 0.00 O ATOM 1223 OE2 GLU A 76 4.142 -2.506 -10.276 1.00 0.00 O ATOM 0 H GLU A 76 2.431 -3.909 -6.716 1.00 0.00 H new ATOM 0 HA GLU A 76 1.226 -1.228 -6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.811 -3.041 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.254 -1.392 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.078 -1.053 -9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.815 -0.826 -8.395 1.00 0.00 H new ATOM 1230 N MET A 77 -1.162 -2.297 -6.297 1.00 0.00 N ATOM 1231 CA MET A 77 -2.393 -2.898 -5.798 1.00 0.00 C ATOM 1232 C MET A 77 -3.558 -2.613 -6.740 1.00 0.00 C ATOM 1233 O MET A 77 -4.161 -1.541 -6.688 1.00 0.00 O ATOM 1234 CB MET A 77 -2.713 -2.369 -4.398 1.00 0.00 C ATOM 1235 CG MET A 77 -3.950 -2.999 -3.778 1.00 0.00 C ATOM 1236 SD MET A 77 -3.991 -2.828 -1.984 1.00 0.00 S ATOM 1237 CE MET A 77 -4.515 -1.123 -1.818 1.00 0.00 C ATOM 0 H MET A 77 -1.265 -1.338 -6.629 1.00 0.00 H new ATOM 0 HA MET A 77 -2.246 -3.977 -5.746 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.858 -2.549 -3.746 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.852 -1.289 -4.450 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.841 -2.537 -4.204 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.984 -4.057 -4.039 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.384 -0.801 -0.785 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.915 -0.492 -2.474 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.566 -1.037 -2.094 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.869 -3.578 -7.599 1.00 0.00 N ATOM 1248 CA GLN A 78 -4.961 -3.429 -8.554 1.00 0.00 C ATOM 1249 C GLN A 78 -6.290 -3.840 -7.929 1.00 0.00 C ATOM 1250 O GLN A 78 -6.505 -5.013 -7.620 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.691 -4.266 -9.805 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.116 -3.586 -11.096 1.00 0.00 C ATOM 1253 CD GLN A 78 -4.920 -4.468 -12.313 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.867 -4.754 -13.046 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.686 -4.905 -12.535 1.00 0.00 N ATOM 0 H GLN A 78 -3.380 -4.472 -7.653 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.023 -2.378 -8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.626 -4.493 -9.857 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.216 -5.217 -9.716 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.166 -3.302 -11.024 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.545 -2.666 -11.223 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.931 -4.643 -11.902 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.493 -5.502 -13.339 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.177 -2.868 -7.744 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.485 -3.130 -7.156 1.00 0.00 C ATOM 1266 C ILE A 79 -9.582 -3.083 -8.214 1.00 0.00 C ATOM 1267 O ILE A 79 -9.894 -2.020 -8.752 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.815 -2.118 -6.044 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.770 -2.192 -4.929 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.208 -2.376 -5.489 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.296 -1.763 -3.577 1.00 0.00 C ATOM 0 H ILE A 79 -7.014 -1.892 -7.993 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.443 -4.130 -6.724 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.794 -1.115 -6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.399 -3.214 -4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.921 -1.563 -5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.427 -1.652 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.942 -2.277 -6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.254 -3.384 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.501 -1.841 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.641 -0.730 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.126 -2.408 -3.288 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.166 -4.240 -8.505 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.231 -4.330 -9.496 1.00 0.00 C ATOM 1285 C ILE A 80 -12.603 -4.341 -8.830 1.00 0.00 C ATOM 1286 O ILE A 80 -12.791 -4.956 -7.780 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.086 -5.593 -10.366 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.616 -5.830 -10.717 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.924 -5.465 -11.629 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -8.932 -6.831 -9.812 1.00 0.00 C ATOM 0 H ILE A 80 -9.920 -5.128 -8.069 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.145 -3.449 -10.132 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.448 -6.451 -9.799 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.549 -6.179 -11.747 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.081 -4.882 -10.666 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.811 -6.365 -12.233 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.972 -5.338 -11.359 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.590 -4.600 -12.201 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.893 -6.949 -10.120 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.967 -6.474 -8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.442 -7.792 -9.881 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.560 -3.656 -9.447 1.00 0.00 N ATOM 1303 CA LYS A 81 -14.916 -3.589 -8.917 1.00 0.00 C ATOM 1304 C LYS A 81 -14.915 -3.066 -7.484 1.00 0.00 C ATOM 1305 O LYS A 81 -15.581 -3.621 -6.610 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.575 -4.969 -8.967 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.535 -5.612 -10.343 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.696 -6.572 -10.543 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.387 -7.602 -11.619 1.00 0.00 C ATOM 1310 NZ LYS A 81 -16.705 -7.093 -12.982 1.00 0.00 N ATOM 0 H LYS A 81 -13.421 -3.139 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.487 -2.898 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.078 -5.626 -8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.613 -4.879 -8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.566 -4.837 -11.109 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.594 -6.147 -10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.916 -7.080 -9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.589 -6.012 -10.819 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.333 -7.874 -11.570 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.959 -8.510 -11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.481 -7.824 -13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.717 -6.858 -13.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.140 -6.241 -13.175 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.163 -1.995 -7.250 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.079 -1.397 -5.923 1.00 0.00 C ATOM 1326 C ALA A 82 -15.467 -1.156 -5.340 1.00 0.00 C ATOM 1327 O ALA A 82 -16.237 -0.347 -5.857 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.295 -0.093 -5.982 1.00 0.00 C ATOM 0 H ALA A 82 -13.604 -1.524 -7.961 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.556 -2.095 -5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.239 0.344 -4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.288 -0.290 -6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.796 0.603 -6.655 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.781 -1.864 -4.261 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.076 -1.728 -3.605 1.00 0.00 C ATOM 1336 C LYS A 83 -17.015 -0.691 -2.488 1.00 0.00 C ATOM 1337 O LYS A 83 -15.933 -0.273 -2.076 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.529 -3.076 -3.040 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.289 -4.243 -3.982 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.474 -5.576 -3.278 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.931 -6.727 -4.111 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.945 -7.240 -5.075 1.00 0.00 N ATOM 0 H LYS A 83 -15.155 -2.539 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.798 -1.392 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.004 -3.263 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.592 -3.023 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.976 -4.178 -4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.279 -4.182 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.967 -5.553 -2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.533 -5.739 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.047 -6.396 -4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.615 -7.535 -3.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -17.633 -8.158 -5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.857 -7.357 -4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.053 -6.564 -5.858 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.181 -0.282 -2.003 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.260 0.704 -0.931 1.00 0.00 C ATOM 1358 C ASP A 84 -17.472 0.242 0.291 1.00 0.00 C ATOM 1359 O ASP A 84 -17.048 1.055 1.112 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.718 0.958 -0.548 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.199 0.026 0.548 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -19.902 0.298 1.729 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -20.872 -0.975 0.223 1.00 0.00 O ATOM 0 H ASP A 84 -19.085 -0.618 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.822 1.634 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.829 1.991 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.349 0.835 -1.428 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.282 -1.068 0.406 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.547 -1.638 1.529 1.00 0.00 C ATOM 1370 C ASN A 85 -15.050 -1.380 1.387 1.00 0.00 C ATOM 1371 O ASN A 85 -14.299 -1.470 2.359 1.00 0.00 O ATOM 1372 CB ASN A 85 -16.809 -3.143 1.626 1.00 0.00 C ATOM 1373 CG ASN A 85 -18.213 -3.455 2.107 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -19.143 -2.679 1.888 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -18.371 -4.596 2.768 1.00 0.00 N ATOM 0 H ASN A 85 -17.627 -1.755 -0.265 1.00 0.00 H new ATOM 0 HA ASN A 85 -16.896 -1.155 2.442 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.653 -3.600 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.086 -3.592 2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.292 -4.860 3.117 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -17.571 -5.209 2.926 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.624 -1.057 0.171 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.217 -0.785 -0.099 1.00 0.00 C ATOM 1384 C PHE A 86 -12.832 0.613 0.377 1.00 0.00 C ATOM 1385 O PHE A 86 -11.651 0.935 0.500 1.00 0.00 O ATOM 1386 CB PHE A 86 -12.926 -0.925 -1.594 1.00 0.00 C ATOM 1387 CG PHE A 86 -12.980 -2.344 -2.085 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.100 -3.127 -1.856 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.912 -2.894 -2.775 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.152 -4.433 -2.306 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -11.958 -4.199 -3.227 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.080 -4.969 -2.993 1.00 0.00 C ATOM 0 H PHE A 86 -15.233 -0.977 -0.643 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.620 -1.514 0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.646 -0.328 -2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.939 -0.514 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -14.941 -2.713 -1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.033 -2.295 -2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.030 -5.034 -2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.118 -4.616 -3.762 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.119 -5.989 -3.347 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.839 1.440 0.641 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.607 2.802 1.104 1.00 0.00 C ATOM 1404 C ALA A 87 -13.366 2.837 2.609 1.00 0.00 C ATOM 1405 O ALA A 87 -14.044 2.150 3.372 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.785 3.692 0.734 1.00 0.00 C ATOM 0 H ALA A 87 -14.823 1.190 0.542 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.711 3.180 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.599 4.707 1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.909 3.700 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.692 3.307 1.200 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.396 3.643 3.030 1.00 0.00 N ATOM 1413 CA GLY A 88 -12.083 3.752 4.443 1.00 0.00 C ATOM 1414 C GLY A 88 -10.638 4.136 4.689 1.00 0.00 C ATOM 1415 O GLY A 88 -10.182 5.185 4.236 1.00 0.00 O ATOM 0 H GLY A 88 -11.821 4.222 2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.736 4.495 4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.291 2.801 4.932 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.915 3.285 5.410 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.513 3.543 5.718 1.00 0.00 C ATOM 1421 C ASN A 89 -7.647 2.341 5.353 1.00 0.00 C ATOM 1422 O ASN A 89 -7.866 1.233 5.844 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.347 3.873 7.202 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.904 4.153 7.575 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.309 5.151 6.931 1.00 0.00 O flip ATOM 1426 ND2 ASN A 89 -6.331 3.479 8.431 1.00 0.00 N flip ATOM 0 H ASN A 89 -10.277 2.411 5.792 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.188 4.398 5.125 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.958 4.741 7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.719 3.041 7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.827 2.722 8.900 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.360 3.678 8.671 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.662 2.568 4.491 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.764 1.504 4.059 1.00 0.00 C ATOM 1435 C TYR A 90 -4.466 1.528 4.860 1.00 0.00 C ATOM 1436 O TYR A 90 -4.191 2.481 5.590 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.457 1.641 2.567 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.477 0.971 1.675 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.677 1.599 1.363 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.241 -0.291 1.142 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.612 0.989 0.549 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.170 -0.907 0.326 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.354 -0.264 0.033 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.282 -0.874 -0.779 1.00 0.00 O ATOM 0 H TYR A 90 -6.465 3.480 4.078 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.261 0.550 4.235 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.403 2.699 2.312 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.475 1.214 2.366 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.882 2.581 1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.315 -0.799 1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.540 1.491 0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.970 -1.887 -0.080 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.176 -0.531 -0.570 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.671 0.473 4.719 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.402 0.371 5.430 1.00 0.00 C ATOM 1456 C ARG A 91 -1.386 -0.426 4.617 1.00 0.00 C ATOM 1457 O ARG A 91 -1.755 -1.223 3.754 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.609 -0.288 6.794 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.539 0.071 7.813 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.824 -0.561 9.166 1.00 0.00 C ATOM 1461 NE ARG A 91 -0.828 -0.185 10.166 1.00 0.00 N ATOM 1462 CZ ARG A 91 -0.887 0.934 10.879 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -1.890 1.783 10.704 1.00 0.00 N ATOM 1464 NH2 ARG A 91 0.058 1.205 11.770 1.00 0.00 N ATOM 0 H ARG A 91 -3.883 -0.324 4.119 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.014 1.379 5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.584 0.004 7.185 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.628 -1.370 6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.566 -0.262 7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.486 1.154 7.920 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.813 -0.256 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.842 -1.646 9.063 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.043 -0.817 10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.619 1.578 10.021 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.933 2.642 11.253 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.831 0.554 11.908 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.012 2.065 12.317 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.107 -0.204 4.898 1.00 0.00 N ATOM 1479 CA CYS A 92 0.963 -0.901 4.192 1.00 0.00 C ATOM 1480 C CYS A 92 2.114 -1.229 5.137 1.00 0.00 C ATOM 1481 O CYS A 92 2.423 -0.458 6.044 1.00 0.00 O ATOM 1482 CB CYS A 92 1.471 -0.051 3.026 1.00 0.00 C ATOM 1483 SG CYS A 92 3.106 -0.529 2.421 1.00 0.00 S ATOM 0 H CYS A 92 0.215 0.453 5.609 1.00 0.00 H new ATOM 0 HA CYS A 92 0.559 -1.835 3.802 1.00 0.00 H new ATOM 0 HB2 CYS A 92 0.758 -0.117 2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 92 1.502 0.993 3.338 1.00 0.00 H new ATOM 0 HG CYS A 92 3.447 0.246 1.435 1.00 0.00 H new ATOM 1489 N GLU A 93 2.742 -2.380 4.918 1.00 0.00 N ATOM 1490 CA GLU A 93 3.858 -2.812 5.752 1.00 0.00 C ATOM 1491 C GLU A 93 4.920 -3.521 4.917 1.00 0.00 C ATOM 1492 O GLU A 93 4.657 -4.559 4.309 1.00 0.00 O ATOM 1493 CB GLU A 93 3.363 -3.740 6.863 1.00 0.00 C ATOM 1494 CG GLU A 93 2.790 -3.003 8.062 1.00 0.00 C ATOM 1495 CD GLU A 93 1.538 -2.219 7.722 1.00 0.00 C ATOM 1496 OE1 GLU A 93 0.765 -2.683 6.857 1.00 0.00 O ATOM 1497 OE2 GLU A 93 1.331 -1.142 8.319 1.00 0.00 O ATOM 0 H GLU A 93 2.497 -3.030 4.171 1.00 0.00 H new ATOM 0 HA GLU A 93 4.307 -1.926 6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.600 -4.404 6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.189 -4.369 7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.562 -3.721 8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.543 -2.323 8.459 1.00 0.00 H new ATOM 1504 N VAL A 94 6.121 -2.952 4.891 1.00 0.00 N ATOM 1505 CA VAL A 94 7.224 -3.529 4.131 1.00 0.00 C ATOM 1506 C VAL A 94 8.451 -3.733 5.013 1.00 0.00 C ATOM 1507 O VAL A 94 8.895 -2.814 5.702 1.00 0.00 O ATOM 1508 CB VAL A 94 7.607 -2.638 2.935 1.00 0.00 C ATOM 1509 CG1 VAL A 94 7.968 -1.238 3.405 1.00 0.00 C ATOM 1510 CG2 VAL A 94 8.756 -3.260 2.155 1.00 0.00 C ATOM 0 H VAL A 94 6.355 -2.092 5.387 1.00 0.00 H new ATOM 0 HA VAL A 94 6.882 -4.495 3.760 1.00 0.00 H new ATOM 0 HB VAL A 94 6.746 -2.561 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.236 -0.623 2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.114 -0.794 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.814 -1.291 4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.014 -2.618 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.622 -3.368 2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.456 -4.240 1.785 1.00 0.00 H new ATOM 1520 N THR A 95 8.996 -4.945 4.986 1.00 0.00 N ATOM 1521 CA THR A 95 10.172 -5.272 5.783 1.00 0.00 C ATOM 1522 C THR A 95 11.388 -5.514 4.896 1.00 0.00 C ATOM 1523 O THR A 95 11.281 -5.525 3.669 1.00 0.00 O ATOM 1524 CB THR A 95 9.931 -6.518 6.656 1.00 0.00 C ATOM 1525 OG1 THR A 95 9.360 -7.567 5.865 1.00 0.00 O ATOM 1526 CG2 THR A 95 9.007 -6.193 7.820 1.00 0.00 C ATOM 0 H THR A 95 8.642 -5.717 4.421 1.00 0.00 H new ATOM 0 HA THR A 95 10.363 -4.416 6.430 1.00 0.00 H new ATOM 0 HB THR A 95 10.891 -6.846 7.056 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.211 -8.356 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.852 -7.088 8.422 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.458 -5.415 8.436 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.049 -5.843 7.437 1.00 0.00 H new ATOM 1534 N TYR A 96 12.542 -5.708 5.523 1.00 0.00 N ATOM 1535 CA TYR A 96 13.779 -5.948 4.789 1.00 0.00 C ATOM 1536 C TYR A 96 14.890 -6.407 5.730 1.00 0.00 C ATOM 1537 O TYR A 96 14.681 -6.549 6.935 1.00 0.00 O ATOM 1538 CB TYR A 96 14.213 -4.682 4.050 1.00 0.00 C ATOM 1539 CG TYR A 96 15.177 -4.943 2.914 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.957 -5.979 2.015 1.00 0.00 C ATOM 1541 CD2 TYR A 96 16.306 -4.153 2.741 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.836 -6.222 0.977 1.00 0.00 C ATOM 1543 CE2 TYR A 96 17.190 -4.388 1.704 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.950 -5.424 0.826 1.00 0.00 C ATOM 1545 OH TYR A 96 17.827 -5.661 -0.208 1.00 0.00 O ATOM 0 H TYR A 96 12.647 -5.704 6.538 1.00 0.00 H new ATOM 0 HA TYR A 96 13.592 -6.738 4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 96 13.329 -4.180 3.657 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.678 -3.998 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.084 -6.605 2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 96 16.497 -3.342 3.428 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.651 -7.033 0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 96 18.063 -3.764 1.582 1.00 0.00 H new ATOM 0 HH TYR A 96 17.341 -6.045 -0.967 1.00 0.00 H new ATOM 1611 N PHE A 100 12.695 -1.507 8.101 1.00 0.00 N ATOM 1612 CA PHE A 100 11.258 -1.689 7.932 1.00 0.00 C ATOM 1613 C PHE A 100 10.512 -0.379 8.169 1.00 0.00 C ATOM 1614 O PHE A 100 10.869 0.400 9.053 1.00 0.00 O ATOM 1615 CB PHE A 100 10.742 -2.763 8.892 1.00 0.00 C ATOM 1616 CG PHE A 100 9.295 -2.596 9.258 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.928 -1.835 10.357 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.302 -3.198 8.503 1.00 0.00 C ATOM 1619 CE1 PHE A 100 7.598 -1.680 10.696 1.00 0.00 C ATOM 1620 CE2 PHE A 100 6.969 -3.047 8.837 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.617 -2.286 9.935 1.00 0.00 C ATOM 0 HA PHE A 100 11.076 -2.010 6.906 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.882 -3.743 8.437 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.343 -2.745 9.801 1.00 0.00 H new ATOM 0 HD1 PHE A 100 9.691 -1.358 10.955 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.572 -3.793 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.325 -1.085 11.555 1.00 0.00 H new ATOM 0 HE2 PHE A 100 6.204 -3.523 8.241 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.577 -2.165 10.198 1.00 0.00 H new ATOM 1631 N ASP A 101 9.475 -0.143 7.373 1.00 0.00 N ATOM 1632 CA ASP A 101 8.678 1.072 7.495 1.00 0.00 C ATOM 1633 C ASP A 101 7.223 0.807 7.121 1.00 0.00 C ATOM 1634 O ASP A 101 6.938 0.032 6.207 1.00 0.00 O ATOM 1635 CB ASP A 101 9.253 2.176 6.607 1.00 0.00 C ATOM 1636 CG ASP A 101 8.669 2.157 5.208 1.00 0.00 C ATOM 1637 OD1 ASP A 101 8.948 1.196 4.461 1.00 0.00 O ATOM 1638 OD2 ASP A 101 7.932 3.104 4.860 1.00 0.00 O ATOM 0 H ASP A 101 9.167 -0.777 6.636 1.00 0.00 H new ATOM 0 HA ASP A 101 8.714 1.398 8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.058 3.145 7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.336 2.063 6.547 1.00 0.00 H new ATOM 1643 N SER A 102 6.307 1.454 7.833 1.00 0.00 N ATOM 1644 CA SER A 102 4.881 1.285 7.580 1.00 0.00 C ATOM 1645 C SER A 102 4.235 2.614 7.199 1.00 0.00 C ATOM 1646 O SER A 102 4.717 3.682 7.578 1.00 0.00 O ATOM 1647 CB SER A 102 4.187 0.703 8.813 1.00 0.00 C ATOM 1648 OG SER A 102 4.019 1.689 9.816 1.00 0.00 O ATOM 0 H SER A 102 6.527 2.101 8.590 1.00 0.00 H new ATOM 0 HA SER A 102 4.766 0.592 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.215 0.298 8.530 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.775 -0.126 9.208 1.00 0.00 H new ATOM 0 HG SER A 102 3.572 1.293 10.593 1.00 0.00 H new ATOM 1654 N CYS A 103 3.143 2.539 6.446 1.00 0.00 N ATOM 1655 CA CYS A 103 2.431 3.736 6.012 1.00 0.00 C ATOM 1656 C CYS A 103 0.959 3.428 5.754 1.00 0.00 C ATOM 1657 O CYS A 103 0.614 2.343 5.287 1.00 0.00 O ATOM 1658 CB CYS A 103 3.075 4.307 4.748 1.00 0.00 C ATOM 1659 SG CYS A 103 2.639 6.029 4.411 1.00 0.00 S ATOM 0 H CYS A 103 2.732 1.663 6.124 1.00 0.00 H new ATOM 0 HA CYS A 103 2.494 4.477 6.809 1.00 0.00 H new ATOM 0 HB2 CYS A 103 4.158 4.229 4.838 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.781 3.695 3.895 1.00 0.00 H new ATOM 0 HG CYS A 103 2.659 6.239 3.128 1.00 0.00 H new ATOM 1665 N SER A 104 0.096 4.391 6.063 1.00 0.00 N ATOM 1666 CA SER A 104 -1.339 4.222 5.869 1.00 0.00 C ATOM 1667 C SER A 104 -1.910 5.354 5.021 1.00 0.00 C ATOM 1668 O SER A 104 -1.369 6.459 4.995 1.00 0.00 O ATOM 1669 CB SER A 104 -2.055 4.171 7.221 1.00 0.00 C ATOM 1670 OG SER A 104 -1.987 5.423 7.881 1.00 0.00 O ATOM 0 H SER A 104 0.366 5.296 6.449 1.00 0.00 H new ATOM 0 HA SER A 104 -1.501 3.281 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.098 3.890 7.074 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.603 3.401 7.847 1.00 0.00 H new ATOM 0 HG SER A 104 -2.453 5.365 8.741 1.00 0.00 H new ATOM 1676 N PHE A 105 -3.007 5.069 4.327 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.653 6.061 3.476 1.00 0.00 C ATOM 1678 C PHE A 105 -5.172 5.974 3.594 1.00 0.00 C ATOM 1679 O PHE A 105 -5.700 5.173 4.365 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.231 5.866 2.018 1.00 0.00 C ATOM 1681 CG PHE A 105 -3.029 4.426 1.640 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -1.919 3.728 2.088 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -3.949 3.771 0.838 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -1.731 2.403 1.743 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -3.766 2.446 0.489 1.00 0.00 C ATOM 1686 CZ PHE A 105 -2.655 1.762 0.941 1.00 0.00 C ATOM 0 H PHE A 105 -3.467 4.159 4.337 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.337 7.049 3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.989 6.301 1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.306 6.414 1.840 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.193 4.225 2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.819 4.302 0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.863 1.869 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.491 1.946 -0.136 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.509 0.727 0.668 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.867 6.805 2.825 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.325 6.822 2.842 1.00 0.00 C ATOM 1698 C ASP A 106 -7.887 6.672 1.431 1.00 0.00 C ATOM 1699 O ASP A 106 -7.463 7.366 0.506 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.834 8.120 3.471 1.00 0.00 C ATOM 1701 CG ASP A 106 -7.335 8.309 4.891 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -6.218 7.840 5.195 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -8.062 8.926 5.697 1.00 0.00 O ATOM 0 H ASP A 106 -5.445 7.475 2.183 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.666 5.978 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.515 8.965 2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.924 8.119 3.469 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.842 5.762 1.274 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.462 5.520 -0.024 1.00 0.00 C ATOM 1710 C LEU A 107 -10.949 5.854 0.012 1.00 0.00 C ATOM 1711 O LEU A 107 -11.673 5.413 0.904 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.265 4.061 -0.441 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.588 3.730 -1.898 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -11.057 3.366 -2.050 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.230 4.900 -2.803 1.00 0.00 C ATOM 0 H LEU A 107 -9.204 5.180 2.029 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.981 6.169 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.228 3.786 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.886 3.434 0.199 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.989 2.870 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.268 3.134 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.282 2.497 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.675 4.206 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.467 4.646 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.802 5.779 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.165 5.114 -2.717 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.399 6.635 -0.966 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.801 7.027 -1.046 1.00 0.00 C ATOM 1729 C GLU A 108 -13.504 6.304 -2.192 1.00 0.00 C ATOM 1730 O GLU A 108 -12.911 6.061 -3.243 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.921 8.541 -1.233 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.986 9.313 0.074 1.00 0.00 C ATOM 1733 CD GLU A 108 -12.616 10.774 -0.093 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -11.409 11.072 -0.201 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -13.536 11.619 -0.116 1.00 0.00 O ATOM 0 H GLU A 108 -10.813 7.008 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.284 6.745 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.069 8.896 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.816 8.757 -1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.993 9.242 0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.314 8.852 0.798 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.770 5.962 -1.980 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.555 5.267 -2.994 1.00 0.00 C ATOM 1744 C VAL A 109 -16.873 5.987 -3.258 1.00 0.00 C ATOM 1745 O VAL A 109 -17.691 6.158 -2.353 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.851 3.814 -2.577 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.557 3.070 -3.699 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.566 3.102 -2.180 1.00 0.00 C ATOM 0 H VAL A 109 -15.275 6.155 -1.115 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.959 5.261 -3.906 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.513 3.830 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.758 2.045 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.498 3.569 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.922 3.061 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.793 2.077 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.878 3.095 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.105 3.624 -1.342 1.00 0.00 H new ATOM 1758 N HIS A 110 -17.072 6.407 -4.503 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.292 7.108 -4.887 1.00 0.00 C ATOM 1760 C HIS A 110 -19.236 6.180 -5.646 1.00 0.00 C ATOM 1761 O HIS A 110 -18.799 5.364 -6.457 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.956 8.327 -5.747 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.223 9.400 -5.003 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -17.162 10.708 -5.436 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.519 9.355 -3.848 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.451 11.420 -4.580 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -16.049 10.622 -3.607 1.00 0.00 N ATOM 0 H HIS A 110 -16.405 6.274 -5.263 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.792 7.441 -3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.352 8.007 -6.596 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.879 8.742 -6.151 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.357 8.484 -3.230 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.235 12.475 -4.662 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.482 10.902 -2.807 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.531 6.310 -5.375 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.535 5.482 -6.032 1.00 0.00 C ATOM 1778 C GLU A 111 -21.525 5.708 -7.541 1.00 0.00 C ATOM 1779 O GLU A 111 -21.604 6.844 -8.010 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.926 5.784 -5.469 1.00 0.00 C ATOM 1781 CG GLU A 111 -23.101 5.360 -4.020 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.557 5.182 -3.637 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.341 6.136 -3.828 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.913 4.091 -3.146 1.00 0.00 O ATOM 0 H GLU A 111 -20.909 6.980 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.291 4.438 -5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -23.118 6.854 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.674 5.278 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.568 4.424 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.647 6.107 -3.369 1.00 0.00 H new ATOM 1791 N SER A 112 -21.428 4.619 -8.296 1.00 0.00 N ATOM 1792 CA SER A 112 -21.403 4.698 -9.752 1.00 0.00 C ATOM 1793 C SER A 112 -22.801 4.959 -10.306 1.00 0.00 C ATOM 1794 O SER A 112 -23.494 4.036 -10.737 1.00 0.00 O ATOM 1795 CB SER A 112 -20.841 3.405 -10.345 1.00 0.00 C ATOM 1796 OG SER A 112 -20.959 3.397 -11.757 1.00 0.00 O ATOM 0 H SER A 112 -21.365 3.671 -7.924 1.00 0.00 H new ATOM 0 HA SER A 112 -20.757 5.529 -10.035 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.793 3.298 -10.064 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.372 2.549 -9.928 1.00 0.00 H new ATOM 0 HG SER A 112 -20.591 2.561 -12.111 1.00 0.00 H new