USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 578 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 30 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.416 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -4.68! C(o=-4.7!,f=-6.4!) USER MOD Single : A 38 ASN : amide:sc= -0.0443 X(o=-0.044,f=-0.11) USER MOD Single : A 40 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.76) USER MOD Single : A 56 SER OG : rot -145:sc= 0.95 USER MOD Single : A 57 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-0.91) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 172:sc= 0.0198 USER MOD Single : A 63 HIS : no HE2:sc= -0.903 K(o=-0.9,f=-2.7!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 38:sc= 0.00978 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.025) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.544 4.524 -4.298 1.00 0.00 N ATOM 125 CA TYR A 11 11.214 4.631 -2.887 1.00 0.00 C ATOM 126 C TYR A 11 10.366 5.875 -2.615 1.00 0.00 C ATOM 127 O TYR A 11 10.222 6.735 -3.483 1.00 0.00 O ATOM 128 CB TYR A 11 12.549 4.768 -2.152 1.00 0.00 C ATOM 129 CG TYR A 11 13.409 3.503 -2.183 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.817 2.262 -2.070 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.779 3.604 -2.325 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.627 1.072 -2.100 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.589 2.413 -2.355 1.00 0.00 C ATOM 134 CZ TYR A 11 14.973 1.206 -2.241 1.00 0.00 C ATOM 135 OH TYR A 11 15.738 0.082 -2.270 1.00 0.00 O ATOM 0 HA TYR A 11 10.643 3.763 -2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.113 5.589 -2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.355 5.037 -1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.746 2.183 -1.959 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.243 4.575 -2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.176 0.095 -2.012 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.661 2.477 -2.466 1.00 0.00 H new ATOM 0 HH TYR A 11 16.680 0.330 -2.376 1.00 0.00 H new ATOM 145 N LYS A 12 9.826 5.931 -1.407 1.00 0.00 N ATOM 146 CA LYS A 12 8.995 7.055 -1.010 1.00 0.00 C ATOM 147 C LYS A 12 8.099 7.461 -2.182 1.00 0.00 C ATOM 148 O LYS A 12 8.207 8.574 -2.694 1.00 0.00 O ATOM 149 CB LYS A 12 9.861 8.197 -0.473 1.00 0.00 C ATOM 150 CG LYS A 12 10.396 7.871 0.922 1.00 0.00 C ATOM 151 CD LYS A 12 10.087 9.001 1.906 1.00 0.00 C ATOM 152 CE LYS A 12 10.857 10.271 1.541 1.00 0.00 C ATOM 153 NZ LYS A 12 12.045 10.426 2.411 1.00 0.00 N ATOM 0 H LYS A 12 9.948 5.216 -0.690 1.00 0.00 H new ATOM 0 HA LYS A 12 8.337 6.771 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.694 8.377 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.275 9.116 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.951 6.942 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.473 7.710 0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.017 9.207 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.350 8.690 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.167 10.228 0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.207 11.140 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.556 11.293 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.742 10.489 3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.672 9.605 2.291 1.00 0.00 H new ATOM 167 N GLN A 13 7.235 6.536 -2.572 1.00 0.00 N ATOM 168 CA GLN A 13 6.321 6.783 -3.674 1.00 0.00 C ATOM 169 C GLN A 13 4.983 6.085 -3.421 1.00 0.00 C ATOM 170 O GLN A 13 4.950 4.899 -3.096 1.00 0.00 O ATOM 171 CB GLN A 13 6.931 6.335 -5.004 1.00 0.00 C ATOM 172 CG GLN A 13 5.908 6.435 -6.137 1.00 0.00 C ATOM 173 CD GLN A 13 6.559 6.141 -7.490 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.767 6.025 -7.615 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.694 6.027 -8.494 1.00 0.00 N ATOM 0 H GLN A 13 7.148 5.614 -2.145 1.00 0.00 H new ATOM 0 HA GLN A 13 6.142 7.856 -3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.798 6.953 -5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.285 5.308 -4.918 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.094 5.732 -5.960 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.470 7.433 -6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.695 6.135 -8.321 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.030 5.831 -9.437 1.00 0.00 H new ATOM 184 N ILE A 14 3.913 6.850 -3.579 1.00 0.00 N ATOM 185 CA ILE A 14 2.576 6.319 -3.372 1.00 0.00 C ATOM 186 C ILE A 14 2.124 5.582 -4.634 1.00 0.00 C ATOM 187 O ILE A 14 2.159 6.140 -5.730 1.00 0.00 O ATOM 188 CB ILE A 14 1.621 7.431 -2.933 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.269 8.323 -1.873 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.287 6.851 -2.458 1.00 0.00 C ATOM 191 CD1 ILE A 14 2.116 7.716 -0.477 1.00 0.00 C ATOM 0 H ILE A 14 3.944 7.833 -3.848 1.00 0.00 H new ATOM 0 HA ILE A 14 2.576 5.591 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 14 1.409 8.061 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.326 8.456 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.811 9.312 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.374 7.662 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.177 6.292 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.460 6.185 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.585 8.370 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.057 7.607 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.596 6.738 -0.451 1.00 0.00 H new ATOM 203 N VAL A 15 1.709 4.339 -4.438 1.00 0.00 N ATOM 204 CA VAL A 15 1.250 3.520 -5.547 1.00 0.00 C ATOM 205 C VAL A 15 0.156 2.570 -5.055 1.00 0.00 C ATOM 206 O VAL A 15 -0.035 2.409 -3.850 1.00 0.00 O ATOM 207 CB VAL A 15 2.434 2.790 -6.184 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.213 3.719 -7.117 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.350 2.193 -5.114 1.00 0.00 C ATOM 0 H VAL A 15 1.681 3.879 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 15 0.813 4.143 -6.327 1.00 0.00 H new ATOM 0 HB VAL A 15 2.039 1.969 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.049 3.175 -7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.554 4.074 -7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.591 4.570 -6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.183 1.680 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.733 2.990 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.787 1.483 -4.508 1.00 0.00 H new ATOM 219 N TRP A 16 -0.533 1.965 -6.012 1.00 0.00 N ATOM 220 CA TRP A 16 -1.602 1.035 -5.690 1.00 0.00 C ATOM 221 C TRP A 16 -1.005 -0.373 -5.640 1.00 0.00 C ATOM 222 O TRP A 16 0.100 -0.600 -6.132 1.00 0.00 O ATOM 223 CB TRP A 16 -2.755 1.160 -6.688 1.00 0.00 C ATOM 224 CG TRP A 16 -3.573 2.444 -6.535 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.389 3.618 -7.155 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.720 2.637 -5.680 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.329 4.550 -6.762 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.164 3.934 -5.837 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.360 1.745 -4.802 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.266 4.456 -5.149 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.460 2.281 -4.122 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.920 3.585 -4.269 1.00 0.00 C ATOM 0 H TRP A 16 -0.372 2.101 -7.010 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.033 1.265 -4.716 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.353 1.116 -7.700 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.418 0.303 -6.571 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.604 3.811 -7.872 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.398 5.513 -7.090 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.029 0.726 -4.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.594 5.475 -5.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.988 1.637 -3.435 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.778 3.924 -3.707 1.00 0.00 H new ATOM 243 N VAL A 17 -1.762 -1.281 -5.042 1.00 0.00 N ATOM 244 CA VAL A 17 -1.321 -2.660 -4.922 1.00 0.00 C ATOM 245 C VAL A 17 -2.398 -3.587 -5.490 1.00 0.00 C ATOM 246 O VAL A 17 -3.590 -3.306 -5.370 1.00 0.00 O ATOM 247 CB VAL A 17 -0.971 -2.972 -3.465 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.233 -3.052 -2.603 1.00 0.00 C ATOM 249 CG2 VAL A 17 -0.155 -4.262 -3.362 1.00 0.00 C ATOM 0 H VAL A 17 -2.678 -1.089 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.413 -2.823 -5.503 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.357 -2.155 -3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.956 -3.275 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.759 -2.098 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.883 -3.840 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.081 -4.461 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.734 -5.092 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.770 -4.154 -3.928 1.00 0.00 H new ATOM 259 N LYS A 18 -1.940 -4.672 -6.096 1.00 0.00 N ATOM 260 CA LYS A 18 -2.850 -5.641 -6.683 1.00 0.00 C ATOM 261 C LYS A 18 -2.938 -6.868 -5.772 1.00 0.00 C ATOM 262 O LYS A 18 -1.928 -7.509 -5.488 1.00 0.00 O ATOM 263 CB LYS A 18 -2.430 -5.970 -8.117 1.00 0.00 C ATOM 264 CG LYS A 18 -3.620 -5.866 -9.073 1.00 0.00 C ATOM 265 CD LYS A 18 -4.667 -6.937 -8.764 1.00 0.00 C ATOM 266 CE LYS A 18 -4.290 -8.274 -9.405 1.00 0.00 C ATOM 267 NZ LYS A 18 -5.499 -8.974 -9.895 1.00 0.00 N ATOM 0 H LYS A 18 -0.951 -4.902 -6.193 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.855 -5.224 -6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.642 -5.287 -8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.014 -6.977 -8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.071 -4.877 -8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.275 -5.975 -10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.759 -7.060 -7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.641 -6.615 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.600 -8.106 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.770 -8.899 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.225 -9.879 -10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.144 -9.152 -9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.979 -8.383 -10.604 1.00 0.00 H new ATOM 366 N TRP A 24 -8.174 -2.550 -5.570 1.00 0.00 N ATOM 367 CA TRP A 24 -6.784 -2.177 -5.367 1.00 0.00 C ATOM 368 C TRP A 24 -6.675 -1.477 -4.011 1.00 0.00 C ATOM 369 O TRP A 24 -7.615 -0.816 -3.573 1.00 0.00 O ATOM 370 CB TRP A 24 -6.272 -1.319 -6.525 1.00 0.00 C ATOM 371 CG TRP A 24 -6.366 -1.999 -7.893 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.471 -2.348 -8.566 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.262 -2.400 -8.731 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.161 -2.943 -9.772 1.00 0.00 N ATOM 375 CE2 TRP A 24 -5.775 -2.975 -9.876 1.00 0.00 C ATOM 376 CE3 TRP A 24 -3.876 -2.281 -8.529 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -4.973 -3.477 -10.908 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.087 -2.787 -9.570 1.00 0.00 C ATOM 379 CH2 TRP A 24 -3.588 -3.369 -10.728 1.00 0.00 C ATOM 0 HA TRP A 24 -6.146 -3.061 -5.355 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.840 -0.389 -6.553 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.233 -1.052 -6.334 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.477 -2.184 -8.210 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.826 -3.295 -10.460 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.453 -1.835 -7.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.399 -3.923 -11.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.014 -2.720 -9.465 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.912 -3.737 -11.486 1.00 0.00 H new ATOM 390 N TRP A 25 -5.520 -1.647 -3.384 1.00 0.00 N ATOM 391 CA TRP A 25 -5.277 -1.040 -2.087 1.00 0.00 C ATOM 392 C TRP A 25 -4.101 -0.072 -2.231 1.00 0.00 C ATOM 393 O TRP A 25 -3.142 -0.356 -2.948 1.00 0.00 O ATOM 394 CB TRP A 25 -5.043 -2.108 -1.017 1.00 0.00 C ATOM 395 CG TRP A 25 -5.053 -1.568 0.415 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.038 -1.021 1.097 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.179 -1.544 1.317 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.425 -0.649 2.368 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.769 -0.976 2.506 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.501 -1.987 1.134 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.618 -0.800 3.605 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.338 -1.804 2.242 1.00 0.00 C ATOM 403 CH2 TRP A 25 -7.940 -1.234 3.446 1.00 0.00 C ATOM 0 H TRP A 25 -4.743 -2.196 -3.750 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.151 -0.480 -1.754 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.811 -2.875 -1.110 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.085 -2.592 -1.205 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.042 -0.888 0.702 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.834 -0.214 3.076 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.844 -2.433 0.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.272 -0.354 4.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.364 -2.128 2.155 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.647 -1.126 4.255 1.00 0.00 H new ATOM 414 N PRO A 26 -4.216 1.082 -1.521 1.00 0.00 N ATOM 415 CA PRO A 26 -3.174 2.094 -1.563 1.00 0.00 C ATOM 416 C PRO A 26 -1.960 1.666 -0.737 1.00 0.00 C ATOM 417 O PRO A 26 -2.109 1.077 0.333 1.00 0.00 O ATOM 418 CB PRO A 26 -3.833 3.359 -1.039 1.00 0.00 C ATOM 419 CG PRO A 26 -5.074 2.903 -0.289 1.00 0.00 C ATOM 420 CD PRO A 26 -5.336 1.453 -0.662 1.00 0.00 C ATOM 0 HA PRO A 26 -2.782 2.252 -2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.158 3.907 -0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.096 4.030 -1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.927 3.000 0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.929 3.526 -0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.383 0.819 0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.287 1.344 -1.183 1.00 0.00 H new ATOM 428 N ALA A 27 -0.785 1.977 -1.265 1.00 0.00 N ATOM 429 CA ALA A 27 0.454 1.632 -0.589 1.00 0.00 C ATOM 430 C ALA A 27 1.573 2.551 -1.084 1.00 0.00 C ATOM 431 O ALA A 27 1.455 3.163 -2.145 1.00 0.00 O ATOM 432 CB ALA A 27 0.768 0.153 -0.823 1.00 0.00 C ATOM 0 H ALA A 27 -0.665 2.464 -2.153 1.00 0.00 H new ATOM 0 HA ALA A 27 0.358 1.779 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.697 -0.106 -0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.043 -0.458 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.874 -0.032 -1.892 1.00 0.00 H new ATOM 438 N GLU A 28 2.633 2.620 -0.292 1.00 0.00 N ATOM 439 CA GLU A 28 3.772 3.454 -0.636 1.00 0.00 C ATOM 440 C GLU A 28 5.065 2.639 -0.570 1.00 0.00 C ATOM 441 O GLU A 28 5.289 1.899 0.386 1.00 0.00 O ATOM 442 CB GLU A 28 3.849 4.680 0.276 1.00 0.00 C ATOM 443 CG GLU A 28 5.091 5.517 -0.035 1.00 0.00 C ATOM 444 CD GLU A 28 5.497 6.365 1.172 1.00 0.00 C ATOM 445 OE1 GLU A 28 4.666 7.204 1.582 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.630 6.154 1.658 1.00 0.00 O ATOM 0 H GLU A 28 2.727 2.112 0.587 1.00 0.00 H new ATOM 0 HA GLU A 28 3.642 3.810 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.954 5.289 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.872 4.362 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.915 4.861 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.893 6.165 -0.889 1.00 0.00 H new ATOM 453 N ILE A 29 5.883 2.803 -1.600 1.00 0.00 N ATOM 454 CA ILE A 29 7.149 2.093 -1.671 1.00 0.00 C ATOM 455 C ILE A 29 8.106 2.658 -0.620 1.00 0.00 C ATOM 456 O ILE A 29 8.335 3.866 -0.569 1.00 0.00 O ATOM 457 CB ILE A 29 7.706 2.132 -3.095 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.754 1.445 -4.076 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.114 1.535 -3.150 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.250 1.592 -5.516 1.00 0.00 C ATOM 0 H ILE A 29 5.693 3.417 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 29 7.007 1.038 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 29 7.786 3.175 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.667 0.388 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.758 1.878 -3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.486 1.575 -4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.777 2.106 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.083 0.498 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.555 1.095 -6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.313 2.649 -5.773 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.236 1.137 -5.609 1.00 0.00 H new ATOM 472 N CYS A 30 8.640 1.759 0.193 1.00 0.00 N ATOM 473 CA CYS A 30 9.567 2.153 1.240 1.00 0.00 C ATOM 474 C CYS A 30 10.956 1.624 0.876 1.00 0.00 C ATOM 475 O CYS A 30 11.110 0.902 -0.108 1.00 0.00 O ATOM 476 CB CYS A 30 9.111 1.660 2.615 1.00 0.00 C ATOM 477 SG CYS A 30 9.100 3.049 3.806 1.00 0.00 S ATOM 0 H CYS A 30 8.448 0.758 0.148 1.00 0.00 H new ATOM 0 HA CYS A 30 9.600 3.240 1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.114 1.225 2.542 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.778 0.873 2.968 1.00 0.00 H new ATOM 0 HG CYS A 30 8.709 2.620 4.969 1.00 0.00 H new ATOM 483 N ASN A 31 11.930 2.004 1.689 1.00 0.00 N ATOM 484 CA ASN A 31 13.301 1.576 1.464 1.00 0.00 C ATOM 485 C ASN A 31 13.597 0.350 2.330 1.00 0.00 C ATOM 486 O ASN A 31 12.940 0.130 3.347 1.00 0.00 O ATOM 487 CB ASN A 31 14.291 2.677 1.850 1.00 0.00 C ATOM 488 CG ASN A 31 14.086 3.926 0.990 1.00 0.00 C ATOM 489 OD1 ASN A 31 13.005 4.486 0.912 1.00 0.00 O ATOM 490 ND2 ASN A 31 15.180 4.328 0.351 1.00 0.00 N ATOM 0 H ASN A 31 11.798 2.603 2.504 1.00 0.00 H new ATOM 0 HA ASN A 31 13.413 1.345 0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.165 2.931 2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.311 2.312 1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.146 5.152 -0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.053 3.812 0.461 1.00 0.00 H new ATOM 497 N PRO A 32 14.612 -0.437 1.884 1.00 0.00 N ATOM 498 CA PRO A 32 15.002 -1.636 2.606 1.00 0.00 C ATOM 499 C PRO A 32 15.787 -1.282 3.871 1.00 0.00 C ATOM 500 O PRO A 32 15.885 -2.092 4.792 1.00 0.00 O ATOM 501 CB PRO A 32 15.815 -2.448 1.611 1.00 0.00 C ATOM 502 CG PRO A 32 16.241 -1.472 0.526 1.00 0.00 C ATOM 503 CD PRO A 32 15.411 -0.209 0.684 1.00 0.00 C ATOM 0 HA PRO A 32 14.146 -2.209 2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.682 -2.900 2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.222 -3.262 1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.303 -1.244 0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.088 -1.908 -0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.046 0.671 0.792 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.778 -0.040 -0.187 1.00 0.00 H new ATOM 511 N ARG A 33 16.326 -0.072 3.876 1.00 0.00 N ATOM 512 CA ARG A 33 17.098 0.399 5.013 1.00 0.00 C ATOM 513 C ARG A 33 16.172 0.998 6.073 1.00 0.00 C ATOM 514 O ARG A 33 16.597 1.263 7.196 1.00 0.00 O ATOM 515 CB ARG A 33 18.122 1.453 4.585 1.00 0.00 C ATOM 516 CG ARG A 33 19.183 0.845 3.666 1.00 0.00 C ATOM 517 CD ARG A 33 20.247 0.100 4.474 1.00 0.00 C ATOM 518 NE ARG A 33 21.144 -0.646 3.564 1.00 0.00 N ATOM 519 CZ ARG A 33 22.066 -0.071 2.780 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.218 1.260 2.790 1.00 0.00 N ATOM 521 NH2 ARG A 33 22.836 -0.827 1.986 1.00 0.00 N ATOM 0 H ARG A 33 16.243 0.597 3.110 1.00 0.00 H new ATOM 0 HA ARG A 33 17.628 -0.457 5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.615 2.270 4.071 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.601 1.879 5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.710 0.160 2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.654 1.632 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.825 0.807 5.069 1.00 0.00 H new ATOM 0 HD3 ARG A 33 19.770 -0.588 5.172 1.00 0.00 H new ATOM 0 HE ARG A 33 21.055 -1.662 3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.632 1.836 3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.920 1.698 2.193 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.720 -1.840 1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.538 -0.389 1.389 1.00 0.00 H new ATOM 535 N SER A 34 14.923 1.195 5.678 1.00 0.00 N ATOM 536 CA SER A 34 13.933 1.758 6.580 1.00 0.00 C ATOM 537 C SER A 34 13.222 0.638 7.343 1.00 0.00 C ATOM 538 O SER A 34 13.352 0.533 8.561 1.00 0.00 O ATOM 539 CB SER A 34 12.915 2.610 5.818 1.00 0.00 C ATOM 540 OG SER A 34 11.841 3.032 6.654 1.00 0.00 O ATOM 0 H SER A 34 14.574 0.975 4.745 1.00 0.00 H new ATOM 0 HA SER A 34 14.447 2.404 7.292 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.414 3.484 5.400 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.519 2.038 4.979 1.00 0.00 H new ATOM 0 HG SER A 34 11.214 3.574 6.132 1.00 0.00 H new ATOM 546 N VAL A 35 12.487 -0.171 6.594 1.00 0.00 N ATOM 547 CA VAL A 35 11.756 -1.279 7.184 1.00 0.00 C ATOM 548 C VAL A 35 12.646 -1.981 8.212 1.00 0.00 C ATOM 549 O VAL A 35 13.870 -1.878 8.152 1.00 0.00 O ATOM 550 CB VAL A 35 11.255 -2.220 6.086 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.434 -1.457 5.044 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.419 -2.964 5.429 1.00 0.00 C ATOM 0 H VAL A 35 12.382 -0.081 5.583 1.00 0.00 H new ATOM 0 HA VAL A 35 10.873 -0.917 7.711 1.00 0.00 H new ATOM 0 HB VAL A 35 10.603 -2.960 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.090 -2.148 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.574 -0.994 5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.053 -0.685 4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.036 -3.626 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.107 -2.244 4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.945 -3.553 6.181 1.00 0.00 H new ATOM 562 N PRO A 36 11.978 -2.698 9.156 1.00 0.00 N ATOM 563 CA PRO A 36 12.695 -3.416 10.196 1.00 0.00 C ATOM 564 C PRO A 36 13.341 -4.687 9.639 1.00 0.00 C ATOM 565 O PRO A 36 12.886 -5.229 8.632 1.00 0.00 O ATOM 566 CB PRO A 36 11.654 -3.700 11.267 1.00 0.00 C ATOM 567 CG PRO A 36 10.304 -3.543 10.587 1.00 0.00 C ATOM 568 CD PRO A 36 10.529 -2.842 9.258 1.00 0.00 C ATOM 0 HA PRO A 36 13.525 -2.842 10.608 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.773 -4.705 11.671 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.754 -3.007 12.102 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.840 -4.517 10.431 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.626 -2.964 11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.130 -3.427 8.429 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.032 -1.872 9.233 1.00 0.00 H new ATOM 576 N LEU A 37 14.391 -5.124 10.317 1.00 0.00 N ATOM 577 CA LEU A 37 15.104 -6.321 9.903 1.00 0.00 C ATOM 578 C LEU A 37 14.100 -7.449 9.659 1.00 0.00 C ATOM 579 O LEU A 37 14.305 -8.288 8.783 1.00 0.00 O ATOM 580 CB LEU A 37 16.192 -6.675 10.919 1.00 0.00 C ATOM 581 CG LEU A 37 17.635 -6.449 10.463 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.986 -7.361 9.285 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.884 -4.975 10.141 1.00 0.00 C ATOM 0 H LEU A 37 14.766 -4.671 11.151 1.00 0.00 H new ATOM 0 HA LEU A 37 15.624 -6.148 8.961 1.00 0.00 H new ATOM 0 HB2 LEU A 37 16.022 -6.090 11.823 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.078 -7.724 11.192 1.00 0.00 H new ATOM 0 HG LEU A 37 18.299 -6.715 11.285 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.017 -7.181 8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.873 -8.403 9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.318 -7.150 8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.917 -4.842 9.820 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.212 -4.658 9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.701 -4.372 11.030 1.00 0.00 H new ATOM 595 N ASN A 38 13.036 -7.432 10.448 1.00 0.00 N ATOM 596 CA ASN A 38 11.999 -8.443 10.328 1.00 0.00 C ATOM 597 C ASN A 38 11.630 -8.617 8.853 1.00 0.00 C ATOM 598 O ASN A 38 11.589 -9.737 8.348 1.00 0.00 O ATOM 599 CB ASN A 38 10.736 -8.030 11.086 1.00 0.00 C ATOM 600 CG ASN A 38 9.601 -9.027 10.847 1.00 0.00 C ATOM 601 OD1 ASN A 38 9.791 -10.233 10.840 1.00 0.00 O ATOM 602 ND2 ASN A 38 8.415 -8.460 10.651 1.00 0.00 N ATOM 0 H ASN A 38 12.869 -6.734 11.173 1.00 0.00 H new ATOM 0 HA ASN A 38 12.384 -9.372 10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.952 -7.968 12.153 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.425 -7.036 10.766 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.594 -9.041 10.482 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.326 -7.444 10.670 1.00 0.00 H new ATOM 609 N ILE A 39 11.371 -7.491 8.205 1.00 0.00 N ATOM 610 CA ILE A 39 11.006 -7.504 6.798 1.00 0.00 C ATOM 611 C ILE A 39 12.231 -7.879 5.962 1.00 0.00 C ATOM 612 O ILE A 39 12.172 -8.797 5.145 1.00 0.00 O ATOM 613 CB ILE A 39 10.372 -6.171 6.396 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.350 -5.714 7.439 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.764 -6.254 4.995 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.362 -6.834 7.767 1.00 0.00 C ATOM 0 H ILE A 39 11.407 -6.563 8.628 1.00 0.00 H new ATOM 0 HA ILE A 39 10.246 -8.262 6.609 1.00 0.00 H new ATOM 0 HB ILE A 39 11.157 -5.415 6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.866 -5.403 8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.809 -4.845 7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.320 -5.293 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.543 -6.502 4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.995 -7.026 4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.647 -6.482 8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.830 -7.126 6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.904 -7.693 8.163 1.00 0.00 H new ATOM 628 N GLN A 40 13.313 -7.151 6.195 1.00 0.00 N ATOM 629 CA GLN A 40 14.550 -7.396 5.474 1.00 0.00 C ATOM 630 C GLN A 40 14.808 -8.899 5.357 1.00 0.00 C ATOM 631 O GLN A 40 15.126 -9.396 4.278 1.00 0.00 O ATOM 632 CB GLN A 40 15.728 -6.688 6.148 1.00 0.00 C ATOM 633 CG GLN A 40 15.541 -5.170 6.123 1.00 0.00 C ATOM 634 CD GLN A 40 16.885 -4.450 6.264 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.870 -4.791 5.631 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.869 -3.439 7.128 1.00 0.00 N ATOM 0 H GLN A 40 13.359 -6.391 6.874 1.00 0.00 H new ATOM 0 HA GLN A 40 14.449 -6.985 4.469 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.821 -7.030 7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.655 -6.952 5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.062 -4.874 5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.876 -4.868 6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.009 -3.207 7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.716 -2.896 7.293 1.00 0.00 H new ATOM 645 N GLY A 41 14.662 -9.581 6.484 1.00 0.00 N ATOM 646 CA GLY A 41 14.875 -11.018 6.521 1.00 0.00 C ATOM 647 C GLY A 41 14.131 -11.713 5.379 1.00 0.00 C ATOM 648 O GLY A 41 14.607 -12.712 4.841 1.00 0.00 O ATOM 0 H GLY A 41 14.399 -9.165 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.941 -11.233 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.534 -11.415 7.477 1.00 0.00 H new ATOM 652 N LEU A 42 12.977 -11.157 5.042 1.00 0.00 N ATOM 653 CA LEU A 42 12.163 -11.711 3.973 1.00 0.00 C ATOM 654 C LEU A 42 13.038 -11.944 2.740 1.00 0.00 C ATOM 655 O LEU A 42 13.760 -11.046 2.308 1.00 0.00 O ATOM 656 CB LEU A 42 10.950 -10.818 3.706 1.00 0.00 C ATOM 657 CG LEU A 42 10.035 -10.553 4.903 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.108 -9.366 4.634 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.255 -11.813 5.286 1.00 0.00 C ATOM 0 H LEU A 42 12.586 -10.328 5.490 1.00 0.00 H new ATOM 0 HA LEU A 42 11.759 -12.680 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.306 -9.860 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.356 -11.274 2.914 1.00 0.00 H new ATOM 0 HG LEU A 42 10.659 -10.287 5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.469 -9.200 5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.705 -8.473 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.489 -9.578 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.612 -11.598 6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.643 -12.133 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.953 -12.607 5.549 1.00 0.00 H new ATOM 748 N ASP A 48 11.845 -6.605 -6.829 1.00 0.00 N ATOM 749 CA ASP A 48 10.948 -6.617 -5.686 1.00 0.00 C ATOM 750 C ASP A 48 11.510 -5.706 -4.592 1.00 0.00 C ATOM 751 O ASP A 48 12.571 -5.982 -4.034 1.00 0.00 O ATOM 752 CB ASP A 48 10.815 -8.026 -5.105 1.00 0.00 C ATOM 753 CG ASP A 48 10.461 -9.113 -6.121 1.00 0.00 C ATOM 754 OD1 ASP A 48 11.410 -9.654 -6.728 1.00 0.00 O ATOM 755 OD2 ASP A 48 9.248 -9.379 -6.269 1.00 0.00 O ATOM 0 HA ASP A 48 9.970 -6.271 -6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.755 -8.294 -4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.050 -8.012 -4.329 1.00 0.00 H new ATOM 760 N PHE A 49 10.773 -4.640 -4.318 1.00 0.00 N ATOM 761 CA PHE A 49 11.185 -3.687 -3.301 1.00 0.00 C ATOM 762 C PHE A 49 10.211 -3.691 -2.121 1.00 0.00 C ATOM 763 O PHE A 49 9.091 -4.184 -2.237 1.00 0.00 O ATOM 764 CB PHE A 49 11.171 -2.303 -3.953 1.00 0.00 C ATOM 765 CG PHE A 49 10.029 -2.096 -4.950 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.754 -1.939 -4.501 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.287 -2.069 -6.285 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.694 -1.746 -5.426 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.227 -1.877 -7.210 1.00 0.00 C ATOM 770 CZ PHE A 49 7.953 -1.720 -6.761 1.00 0.00 C ATOM 0 H PHE A 49 9.893 -4.415 -4.782 1.00 0.00 H new ATOM 0 HA PHE A 49 12.173 -3.949 -2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.100 -1.546 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.120 -2.144 -4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.548 -1.961 -3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.299 -2.194 -6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.682 -1.620 -5.070 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.433 -1.856 -8.270 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.147 -1.575 -7.465 1.00 0.00 H new ATOM 780 N PRO A 50 10.688 -3.120 -0.982 1.00 0.00 N ATOM 781 CA PRO A 50 9.872 -3.053 0.219 1.00 0.00 C ATOM 782 C PRO A 50 8.793 -1.977 0.090 1.00 0.00 C ATOM 783 O PRO A 50 9.075 -0.858 -0.337 1.00 0.00 O ATOM 784 CB PRO A 50 10.854 -2.778 1.346 1.00 0.00 C ATOM 785 CG PRO A 50 12.111 -2.240 0.682 1.00 0.00 C ATOM 786 CD PRO A 50 12.010 -2.526 -0.807 1.00 0.00 C ATOM 0 HA PRO A 50 9.320 -3.975 0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.445 -2.055 2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.068 -3.687 1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.208 -1.169 0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.998 -2.714 1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.115 -1.613 -1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.796 -3.207 -1.134 1.00 0.00 H new ATOM 794 N VAL A 51 7.579 -2.352 0.466 1.00 0.00 N ATOM 795 CA VAL A 51 6.456 -1.433 0.398 1.00 0.00 C ATOM 796 C VAL A 51 5.613 -1.569 1.667 1.00 0.00 C ATOM 797 O VAL A 51 5.569 -2.637 2.276 1.00 0.00 O ATOM 798 CB VAL A 51 5.655 -1.681 -0.882 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.573 -1.720 -2.105 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.831 -2.965 -0.773 1.00 0.00 C ATOM 0 H VAL A 51 7.349 -3.281 0.819 1.00 0.00 H new ATOM 0 HA VAL A 51 6.808 -0.402 0.351 1.00 0.00 H new ATOM 0 HB VAL A 51 4.963 -0.849 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.978 -1.898 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.095 -0.768 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.301 -2.523 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.271 -3.118 -1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.497 -3.812 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.136 -2.882 0.063 1.00 0.00 H new ATOM 810 N PHE A 52 4.965 -0.472 2.029 1.00 0.00 N ATOM 811 CA PHE A 52 4.126 -0.455 3.215 1.00 0.00 C ATOM 812 C PHE A 52 2.652 -0.281 2.842 1.00 0.00 C ATOM 813 O PHE A 52 2.287 0.685 2.174 1.00 0.00 O ATOM 814 CB PHE A 52 4.570 0.740 4.061 1.00 0.00 C ATOM 815 CG PHE A 52 3.774 0.916 5.356 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.855 -0.024 6.337 1.00 0.00 C ATOM 817 CD2 PHE A 52 2.987 2.011 5.527 1.00 0.00 C ATOM 818 CE1 PHE A 52 3.116 0.140 7.538 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.248 2.174 6.729 1.00 0.00 C ATOM 820 CZ PHE A 52 2.329 1.235 7.709 1.00 0.00 C ATOM 0 H PHE A 52 5.004 0.412 1.522 1.00 0.00 H new ATOM 0 HA PHE A 52 4.228 -1.396 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.625 0.625 4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.479 1.648 3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.481 -0.894 6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.924 2.757 4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.179 -0.606 8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.622 3.044 6.864 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.768 1.359 8.623 1.00 0.00 H new ATOM 830 N PHE A 53 1.845 -1.232 3.289 1.00 0.00 N ATOM 831 CA PHE A 53 0.419 -1.195 3.011 1.00 0.00 C ATOM 832 C PHE A 53 -0.329 -0.400 4.082 1.00 0.00 C ATOM 833 O PHE A 53 -0.254 -0.724 5.266 1.00 0.00 O ATOM 834 CB PHE A 53 -0.077 -2.642 3.028 1.00 0.00 C ATOM 835 CG PHE A 53 0.294 -3.442 1.777 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.592 -3.515 1.376 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.674 -4.080 1.066 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.936 -4.257 0.215 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.330 -4.822 -0.095 1.00 0.00 C ATOM 840 CZ PHE A 53 0.968 -4.895 -0.496 1.00 0.00 C ATOM 0 H PHE A 53 2.151 -2.033 3.842 1.00 0.00 H new ATOM 0 HA PHE A 53 0.240 -0.714 2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.333 -3.145 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.161 -2.642 3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.361 -3.009 1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.704 -4.022 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.966 -4.315 -0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.099 -5.328 -0.660 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.230 -5.459 -1.379 1.00 0.00 H new ATOM 850 N PHE A 54 -1.033 0.627 3.628 1.00 0.00 N ATOM 851 CA PHE A 54 -1.794 1.471 4.533 1.00 0.00 C ATOM 852 C PHE A 54 -2.966 0.702 5.146 1.00 0.00 C ATOM 853 O PHE A 54 -3.357 -0.349 4.638 1.00 0.00 O ATOM 854 CB PHE A 54 -2.341 2.635 3.704 1.00 0.00 C ATOM 855 CG PHE A 54 -1.259 3.501 3.057 1.00 0.00 C ATOM 856 CD1 PHE A 54 -0.306 4.088 3.830 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.250 3.684 1.710 1.00 0.00 C ATOM 858 CE1 PHE A 54 0.699 4.892 3.229 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.245 4.488 1.109 1.00 0.00 C ATOM 860 CZ PHE A 54 0.708 5.075 1.882 1.00 0.00 C ATOM 0 H PHE A 54 -1.092 0.893 2.645 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.155 1.815 5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.989 2.238 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.961 3.264 4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.313 3.943 4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.007 3.218 1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.456 5.358 3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.238 4.633 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.472 5.687 1.425 1.00 0.00 H new ATOM 870 N GLY A 55 -3.494 1.254 6.228 1.00 0.00 N ATOM 871 CA GLY A 55 -4.614 0.633 6.915 1.00 0.00 C ATOM 872 C GLY A 55 -4.143 -0.535 7.785 1.00 0.00 C ATOM 873 O GLY A 55 -4.336 -0.526 8.999 1.00 0.00 O ATOM 0 H GLY A 55 -3.167 2.125 6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.120 1.373 7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.341 0.278 6.185 1.00 0.00 H new ATOM 877 N SER A 56 -3.536 -1.512 7.128 1.00 0.00 N ATOM 878 CA SER A 56 -3.036 -2.685 7.826 1.00 0.00 C ATOM 879 C SER A 56 -1.691 -2.369 8.483 1.00 0.00 C ATOM 880 O SER A 56 -1.488 -2.660 9.661 1.00 0.00 O ATOM 881 CB SER A 56 -2.896 -3.874 6.875 1.00 0.00 C ATOM 882 OG SER A 56 -2.740 -5.104 7.577 1.00 0.00 O ATOM 0 H SER A 56 -3.379 -1.516 6.120 1.00 0.00 H new ATOM 0 HA SER A 56 -3.756 -2.956 8.598 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.776 -3.931 6.234 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.037 -3.717 6.223 1.00 0.00 H new ATOM 0 HG SER A 56 -2.136 -5.692 7.077 1.00 0.00 H new ATOM 888 N HIS A 57 -0.807 -1.779 7.693 1.00 0.00 N ATOM 889 CA HIS A 57 0.514 -1.421 8.183 1.00 0.00 C ATOM 890 C HIS A 57 1.402 -2.666 8.221 1.00 0.00 C ATOM 891 O HIS A 57 1.796 -3.119 9.294 1.00 0.00 O ATOM 892 CB HIS A 57 0.418 -0.719 9.539 1.00 0.00 C ATOM 893 CG HIS A 57 -0.669 0.327 9.614 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.078 0.899 10.806 1.00 0.00 N ATOM 895 CD2 HIS A 57 -1.425 0.898 8.633 1.00 0.00 C ATOM 896 CE1 HIS A 57 -2.038 1.772 10.543 1.00 0.00 C ATOM 897 NE2 HIS A 57 -2.253 1.770 9.196 1.00 0.00 N ATOM 0 H HIS A 57 -0.979 -1.540 6.717 1.00 0.00 H new ATOM 0 HA HIS A 57 0.978 -0.708 7.502 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.242 -1.467 10.312 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.376 -0.249 9.762 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.361 0.678 7.578 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.560 2.379 11.268 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.937 2.344 8.703 1.00 0.00 H new ATOM 905 N ASP A 58 1.691 -3.184 7.036 1.00 0.00 N ATOM 906 CA ASP A 58 2.525 -4.368 6.920 1.00 0.00 C ATOM 907 C ASP A 58 3.414 -4.241 5.681 1.00 0.00 C ATOM 908 O ASP A 58 2.981 -3.724 4.653 1.00 0.00 O ATOM 909 CB ASP A 58 1.673 -5.629 6.764 1.00 0.00 C ATOM 910 CG ASP A 58 0.452 -5.703 7.683 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.601 -5.302 8.858 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.602 -6.159 7.191 1.00 0.00 O ATOM 0 H ASP A 58 1.362 -2.805 6.148 1.00 0.00 H new ATOM 0 HA ASP A 58 3.125 -4.448 7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.335 -5.695 5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.302 -6.500 6.950 1.00 0.00 H new ATOM 917 N TYR A 59 4.640 -4.722 5.820 1.00 0.00 N ATOM 918 CA TYR A 59 5.594 -4.669 4.725 1.00 0.00 C ATOM 919 C TYR A 59 5.614 -5.989 3.951 1.00 0.00 C ATOM 920 O TYR A 59 5.431 -7.057 4.534 1.00 0.00 O ATOM 921 CB TYR A 59 6.964 -4.448 5.369 1.00 0.00 C ATOM 922 CG TYR A 59 7.033 -3.220 6.278 1.00 0.00 C ATOM 923 CD1 TYR A 59 7.060 -1.954 5.727 1.00 0.00 C ATOM 924 CD2 TYR A 59 7.069 -3.376 7.648 1.00 0.00 C ATOM 925 CE1 TYR A 59 7.126 -0.798 6.582 1.00 0.00 C ATOM 926 CE2 TYR A 59 7.135 -2.220 8.504 1.00 0.00 C ATOM 927 CZ TYR A 59 7.160 -0.988 7.928 1.00 0.00 C ATOM 928 OH TYR A 59 7.222 0.105 8.736 1.00 0.00 O ATOM 0 H TYR A 59 4.995 -5.151 6.675 1.00 0.00 H new ATOM 0 HA TYR A 59 5.330 -3.878 4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.228 -5.332 5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.712 -4.348 4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.032 -1.831 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.048 -4.366 8.079 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.148 0.198 6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.164 -2.329 9.578 1.00 0.00 H new ATOM 0 HH TYR A 59 7.239 -0.181 9.673 1.00 0.00 H new ATOM 938 N TYR A 60 5.838 -5.872 2.651 1.00 0.00 N ATOM 939 CA TYR A 60 5.884 -7.043 1.791 1.00 0.00 C ATOM 940 C TYR A 60 6.783 -6.797 0.578 1.00 0.00 C ATOM 941 O TYR A 60 6.953 -5.657 0.147 1.00 0.00 O ATOM 942 CB TYR A 60 4.450 -7.271 1.311 1.00 0.00 C ATOM 943 CG TYR A 60 3.447 -7.517 2.440 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.622 -8.584 3.298 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.368 -6.672 2.601 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.678 -8.815 4.360 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.424 -6.903 3.664 1.00 0.00 C ATOM 948 CZ TYR A 60 1.626 -7.964 4.491 1.00 0.00 C ATOM 949 OH TYR A 60 0.734 -8.183 5.494 1.00 0.00 O ATOM 0 H TYR A 60 5.990 -4.985 2.172 1.00 0.00 H new ATOM 0 HA TYR A 60 6.284 -7.901 2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.128 -6.403 0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.436 -8.125 0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.467 -9.245 3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.231 -5.837 1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.803 -9.646 5.038 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.576 -6.249 3.801 1.00 0.00 H new ATOM 0 HH TYR A 60 0.110 -7.429 5.548 1.00 0.00 H new ATOM 959 N TRP A 61 7.335 -7.884 0.060 1.00 0.00 N ATOM 960 CA TRP A 61 8.212 -7.801 -1.096 1.00 0.00 C ATOM 961 C TRP A 61 7.399 -8.182 -2.335 1.00 0.00 C ATOM 962 O TRP A 61 7.028 -9.342 -2.506 1.00 0.00 O ATOM 963 CB TRP A 61 9.454 -8.673 -0.905 1.00 0.00 C ATOM 964 CG TRP A 61 10.393 -8.185 0.200 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.356 -8.485 1.506 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.517 -7.294 0.042 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.370 -7.855 2.198 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.098 -7.107 1.280 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.026 -6.666 -1.108 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.219 -6.294 1.486 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.146 -5.857 -0.886 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.743 -5.658 0.354 1.00 0.00 C ATOM 0 H TRP A 61 7.192 -8.828 0.420 1.00 0.00 H new ATOM 0 HA TRP A 61 8.586 -6.785 -1.224 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.139 -9.691 -0.676 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.005 -8.713 -1.845 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.625 -9.138 1.959 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.552 -7.925 3.199 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.587 -6.798 -2.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.656 -6.164 2.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.577 -5.352 -1.738 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.607 -5.016 0.444 1.00 0.00 H new ATOM 983 N VAL A 62 7.145 -7.182 -3.167 1.00 0.00 N ATOM 984 CA VAL A 62 6.383 -7.397 -4.385 1.00 0.00 C ATOM 985 C VAL A 62 7.147 -6.805 -5.571 1.00 0.00 C ATOM 986 O VAL A 62 7.686 -5.703 -5.479 1.00 0.00 O ATOM 987 CB VAL A 62 4.976 -6.818 -4.231 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.228 -7.491 -3.078 1.00 0.00 C ATOM 989 CG2 VAL A 62 5.025 -5.301 -4.040 1.00 0.00 C ATOM 0 H VAL A 62 7.454 -6.221 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 62 6.262 -8.463 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 62 4.428 -7.023 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.230 -7.060 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.146 -8.560 -3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.774 -7.332 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.011 -4.915 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.599 -5.065 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.499 -4.840 -4.907 1.00 0.00 H new ATOM 999 N HIS A 63 7.169 -7.563 -6.657 1.00 0.00 N ATOM 1000 CA HIS A 63 7.858 -7.127 -7.860 1.00 0.00 C ATOM 1001 C HIS A 63 7.251 -5.811 -8.351 1.00 0.00 C ATOM 1002 O HIS A 63 6.410 -5.222 -7.675 1.00 0.00 O ATOM 1003 CB HIS A 63 7.837 -8.224 -8.927 1.00 0.00 C ATOM 1004 CG HIS A 63 6.487 -8.875 -9.110 1.00 0.00 C ATOM 1005 ND1 HIS A 63 6.236 -10.192 -8.765 1.00 0.00 N ATOM 1006 CD2 HIS A 63 5.317 -8.378 -9.606 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.970 -10.464 -9.045 1.00 0.00 C ATOM 1008 NE2 HIS A 63 4.403 -9.339 -9.566 1.00 0.00 N ATOM 0 H HIS A 63 6.721 -8.476 -6.729 1.00 0.00 H new ATOM 0 HA HIS A 63 8.908 -6.941 -7.634 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.156 -7.798 -9.878 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.565 -8.990 -8.661 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.911 -10.843 -8.363 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.161 -7.373 -9.969 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.474 -11.411 -8.888 1.00 0.00 H new ATOM 1016 N GLN A 64 7.702 -5.390 -9.523 1.00 0.00 N ATOM 1017 CA GLN A 64 7.214 -4.154 -10.112 1.00 0.00 C ATOM 1018 C GLN A 64 6.295 -4.458 -11.296 1.00 0.00 C ATOM 1019 O GLN A 64 6.407 -5.513 -11.920 1.00 0.00 O ATOM 1020 CB GLN A 64 8.375 -3.253 -10.537 1.00 0.00 C ATOM 1021 CG GLN A 64 9.050 -3.787 -11.802 1.00 0.00 C ATOM 1022 CD GLN A 64 10.031 -2.762 -12.374 1.00 0.00 C ATOM 1023 OE1 GLN A 64 9.891 -2.286 -13.488 1.00 0.00 O ATOM 1024 NE2 GLN A 64 11.030 -2.452 -11.552 1.00 0.00 N ATOM 0 H GLN A 64 8.400 -5.882 -10.081 1.00 0.00 H new ATOM 0 HA GLN A 64 6.638 -3.617 -9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.009 -2.242 -10.715 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.105 -3.190 -9.730 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.578 -4.713 -11.574 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.293 -4.027 -12.549 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.087 -2.888 -10.632 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.739 -1.778 -11.842 1.00 0.00 H new ATOM 1033 N GLY A 65 5.406 -3.515 -11.571 1.00 0.00 N ATOM 1034 CA GLY A 65 4.467 -3.668 -12.670 1.00 0.00 C ATOM 1035 C GLY A 65 3.075 -4.037 -12.154 1.00 0.00 C ATOM 1036 O GLY A 65 2.117 -4.090 -12.925 1.00 0.00 O ATOM 0 H GLY A 65 5.316 -2.642 -11.052 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.414 -2.740 -13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.823 -4.440 -13.352 1.00 0.00 H new ATOM 1040 N ARG A 66 3.006 -4.281 -10.854 1.00 0.00 N ATOM 1041 CA ARG A 66 1.746 -4.642 -10.226 1.00 0.00 C ATOM 1042 C ARG A 66 1.172 -3.448 -9.461 1.00 0.00 C ATOM 1043 O ARG A 66 0.016 -3.472 -9.042 1.00 0.00 O ATOM 1044 CB ARG A 66 1.929 -5.816 -9.262 1.00 0.00 C ATOM 1045 CG ARG A 66 2.148 -7.124 -10.025 1.00 0.00 C ATOM 1046 CD ARG A 66 0.886 -7.531 -10.789 1.00 0.00 C ATOM 1047 NE ARG A 66 0.990 -8.943 -11.222 1.00 0.00 N ATOM 1048 CZ ARG A 66 0.919 -9.991 -10.390 1.00 0.00 C ATOM 1049 NH1 ARG A 66 0.742 -9.793 -9.077 1.00 0.00 N ATOM 1050 NH2 ARG A 66 1.023 -11.237 -10.872 1.00 0.00 N ATOM 0 H ARG A 66 3.802 -4.236 -10.218 1.00 0.00 H new ATOM 0 HA ARG A 66 1.055 -4.938 -11.015 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.780 -5.625 -8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.051 -5.906 -8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.978 -7.008 -10.722 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.426 -7.914 -9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.009 -7.400 -10.155 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.752 -6.885 -11.656 1.00 0.00 H new ATOM 0 HE ARG A 66 1.124 -9.130 -12.216 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.661 -8.845 -8.711 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.688 -10.591 -8.444 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.156 -11.388 -11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.969 -12.035 -10.239 1.00 0.00 H new ATOM 1064 N VAL A 67 2.006 -2.431 -9.303 1.00 0.00 N ATOM 1065 CA VAL A 67 1.596 -1.230 -8.596 1.00 0.00 C ATOM 1066 C VAL A 67 1.330 -0.113 -9.608 1.00 0.00 C ATOM 1067 O VAL A 67 1.980 -0.048 -10.651 1.00 0.00 O ATOM 1068 CB VAL A 67 2.649 -0.851 -7.552 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.225 -2.098 -6.878 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.759 -0.002 -8.175 1.00 0.00 C ATOM 0 H VAL A 67 2.964 -2.414 -9.653 1.00 0.00 H new ATOM 0 HA VAL A 67 0.667 -1.406 -8.053 1.00 0.00 H new ATOM 0 HB VAL A 67 2.160 -0.251 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.971 -1.801 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.424 -2.647 -6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.691 -2.735 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.494 0.253 -7.411 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.244 -0.566 -8.972 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.331 0.912 -8.586 1.00 0.00 H new ATOM 1080 N PHE A 68 0.374 0.737 -9.266 1.00 0.00 N ATOM 1081 CA PHE A 68 0.014 1.847 -10.132 1.00 0.00 C ATOM 1082 C PHE A 68 0.323 3.187 -9.462 1.00 0.00 C ATOM 1083 O PHE A 68 0.309 3.291 -8.236 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.493 1.750 -10.380 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.862 1.266 -11.784 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.858 -0.065 -12.067 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.194 2.165 -12.748 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -2.201 -0.514 -13.370 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.537 1.716 -14.051 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.533 0.385 -14.334 1.00 0.00 C ATOM 0 H PHE A 68 -0.163 0.680 -8.401 1.00 0.00 H new ATOM 0 HA PHE A 68 0.583 1.795 -11.060 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.929 1.072 -9.647 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.942 2.729 -10.215 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.594 -0.779 -11.301 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.197 3.221 -12.523 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.198 -1.570 -13.595 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.801 2.430 -14.817 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.794 0.043 -15.325 1.00 0.00 H new ATOM 1100 N PRO A 69 0.602 4.206 -10.318 1.00 0.00 N ATOM 1101 CA PRO A 69 0.915 5.536 -9.822 1.00 0.00 C ATOM 1102 C PRO A 69 -0.347 6.248 -9.331 1.00 0.00 C ATOM 1103 O PRO A 69 -1.311 6.399 -10.080 1.00 0.00 O ATOM 1104 CB PRO A 69 1.581 6.245 -10.990 1.00 0.00 C ATOM 1105 CG PRO A 69 1.200 5.453 -12.230 1.00 0.00 C ATOM 1106 CD PRO A 69 0.628 4.121 -11.775 1.00 0.00 C ATOM 0 HA PRO A 69 1.576 5.518 -8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.240 7.278 -11.066 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.663 6.275 -10.863 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.467 6.001 -12.822 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.071 5.297 -12.866 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.371 3.960 -12.180 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.246 3.289 -12.112 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.300 6.668 -8.075 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.428 7.361 -7.475 1.00 0.00 C ATOM 1116 C TYR A 70 -1.434 8.840 -7.867 1.00 0.00 C ATOM 1117 O TYR A 70 -0.469 9.558 -7.611 1.00 0.00 O ATOM 1118 CB TYR A 70 -1.235 7.248 -5.961 1.00 0.00 C ATOM 1119 CG TYR A 70 -2.295 7.987 -5.142 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -2.218 9.356 -4.989 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.328 7.284 -4.556 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -3.216 10.052 -4.218 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.326 7.979 -3.785 1.00 0.00 C ATOM 1124 CZ TYR A 70 -4.221 9.329 -3.654 1.00 0.00 C ATOM 1125 OH TYR A 70 -5.163 9.986 -2.926 1.00 0.00 O ATOM 0 H TYR A 70 0.501 6.542 -7.456 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.369 6.925 -7.811 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.244 6.194 -5.682 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.251 7.639 -5.700 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.409 9.906 -5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.388 6.212 -4.676 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.168 11.123 -4.091 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -5.139 7.441 -3.321 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.819 9.343 -2.584 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.533 9.251 -8.482 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.678 10.632 -8.912 1.00 0.00 C ATOM 1137 C VAL A 71 -3.289 11.454 -7.775 1.00 0.00 C ATOM 1138 O VAL A 71 -3.944 10.906 -6.890 1.00 0.00 O ATOM 1139 CB VAL A 71 -3.497 10.694 -10.203 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -3.766 12.144 -10.611 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -2.804 9.927 -11.330 1.00 0.00 C ATOM 0 H VAL A 71 -3.331 8.652 -8.693 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.704 11.066 -9.140 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.458 10.215 -10.014 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.350 12.161 -11.531 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.322 12.648 -9.820 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.819 12.658 -10.773 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.407 9.987 -12.236 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.823 10.364 -11.518 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.687 8.883 -11.041 1.00 0.00 H new ATOM 1151 N GLU A 72 -3.053 12.756 -7.837 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.572 13.659 -6.824 1.00 0.00 C ATOM 1153 C GLU A 72 -4.653 14.563 -7.422 1.00 0.00 C ATOM 1154 O GLU A 72 -4.345 15.595 -8.017 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.448 14.488 -6.200 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.716 14.747 -4.716 1.00 0.00 C ATOM 1157 CD GLU A 72 -4.008 15.542 -4.523 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -4.114 16.616 -5.154 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -4.862 15.058 -3.749 1.00 0.00 O ATOM 0 H GLU A 72 -2.509 13.207 -8.573 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.022 13.063 -6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.499 13.965 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.356 15.437 -6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.786 13.798 -4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.880 15.295 -4.282 1.00 0.00 H new ATOM 1367 N THR A 87 -11.063 0.287 7.355 1.00 0.00 N ATOM 1368 CA THR A 87 -9.629 0.305 7.124 1.00 0.00 C ATOM 1369 C THR A 87 -9.310 1.021 5.810 1.00 0.00 C ATOM 1370 O THR A 87 -8.424 1.874 5.762 1.00 0.00 O ATOM 1371 CB THR A 87 -9.124 -1.139 7.167 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.038 -1.435 8.558 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.684 -1.271 6.667 1.00 0.00 C ATOM 0 HA THR A 87 -9.111 0.869 7.900 1.00 0.00 H new ATOM 0 HB THR A 87 -9.776 -1.770 6.563 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.794 -1.024 9.027 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.375 -2.315 6.719 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.624 -0.925 5.635 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.025 -0.667 7.291 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.049 0.648 4.775 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.856 1.244 3.464 1.00 0.00 C ATOM 1383 C PHE A 88 -9.794 2.770 3.559 1.00 0.00 C ATOM 1384 O PHE A 88 -8.811 3.382 3.144 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.062 0.847 2.610 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.963 1.290 1.149 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.918 0.876 0.382 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.919 2.098 0.617 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.826 1.287 -0.973 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.827 2.509 -0.739 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.782 2.095 -1.506 1.00 0.00 C ATOM 0 H PHE A 88 -10.782 -0.060 4.818 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.918 0.895 3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.177 -0.236 2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.962 1.277 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.159 0.235 0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.748 2.427 1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.997 0.958 -1.582 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.586 3.150 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.712 2.408 -2.537 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.857 3.341 4.108 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.935 4.783 4.263 1.00 0.00 C ATOM 1403 C LYS A 89 -9.719 5.274 5.050 1.00 0.00 C ATOM 1404 O LYS A 89 -9.160 6.326 4.744 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.274 5.183 4.887 1.00 0.00 C ATOM 1406 CG LYS A 89 -13.189 5.836 3.850 1.00 0.00 C ATOM 1407 CD LYS A 89 -14.647 5.429 4.072 1.00 0.00 C ATOM 1408 CE LYS A 89 -15.535 5.924 2.928 1.00 0.00 C ATOM 1409 NZ LYS A 89 -16.867 5.281 2.990 1.00 0.00 N ATOM 0 H LYS A 89 -11.671 2.830 4.451 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.904 5.273 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.762 4.302 5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.103 5.874 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.097 6.920 3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.875 5.545 2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.718 4.344 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.003 5.839 5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.644 7.007 2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.062 5.703 1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.457 5.628 2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.759 4.250 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.323 5.513 3.896 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.344 4.489 6.050 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.204 4.831 6.883 1.00 0.00 C ATOM 1425 C LYS A 90 -6.924 4.747 6.049 1.00 0.00 C ATOM 1426 O LYS A 90 -5.970 5.484 6.293 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.178 3.959 8.140 1.00 0.00 C ATOM 1428 CG LYS A 90 -6.941 4.257 8.989 1.00 0.00 C ATOM 1429 CD LYS A 90 -7.236 4.057 10.477 1.00 0.00 C ATOM 1430 CE LYS A 90 -5.941 3.998 11.289 1.00 0.00 C ATOM 1431 NZ LYS A 90 -6.237 4.012 12.739 1.00 0.00 N ATOM 0 H LYS A 90 -9.810 3.617 6.302 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.286 5.858 7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.078 4.136 8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.184 2.906 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.122 3.605 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.614 5.282 8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.861 4.873 10.841 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.801 3.136 10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.386 3.095 11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.306 4.846 11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.347 3.971 13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.747 4.885 12.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.825 3.189 12.981 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.945 3.842 5.081 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.799 3.651 4.210 1.00 0.00 C ATOM 1447 C ALA A 91 -5.791 4.743 3.138 1.00 0.00 C ATOM 1448 O ALA A 91 -4.729 5.226 2.746 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.842 2.245 3.608 1.00 0.00 C ATOM 0 H ALA A 91 -7.738 3.233 4.881 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.871 3.735 4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.981 2.103 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.816 1.506 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.759 2.124 3.032 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.987 5.102 2.696 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.132 6.128 1.677 1.00 0.00 C ATOM 1457 C LEU A 92 -6.532 7.439 2.191 1.00 0.00 C ATOM 1458 O LEU A 92 -5.756 8.087 1.491 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.593 6.250 1.242 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.178 5.040 0.509 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.707 5.077 0.524 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.620 4.938 -0.912 1.00 0.00 C ATOM 0 H LEU A 92 -7.865 4.701 3.025 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.579 5.853 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.200 6.442 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.687 7.122 0.595 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.873 4.138 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.097 4.206 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.061 5.066 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.054 5.985 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.051 4.070 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.874 5.840 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.536 4.831 -0.870 1.00 0.00 H new ATOM 1474 N GLU A 93 -6.915 7.789 3.410 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.425 9.011 4.026 1.00 0.00 C ATOM 1476 C GLU A 93 -4.902 8.964 4.159 1.00 0.00 C ATOM 1477 O GLU A 93 -4.202 9.824 3.625 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.087 9.243 5.386 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.603 9.388 5.240 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.155 10.406 6.241 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.053 11.614 5.936 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -9.666 9.952 7.288 1.00 0.00 O ATOM 0 H GLU A 93 -7.559 7.248 3.988 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.689 9.850 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.860 8.410 6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.675 10.141 5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.846 9.702 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.081 8.421 5.398 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.432 7.952 4.873 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.005 7.782 5.082 1.00 0.00 C ATOM 1491 C GLU A 94 -2.249 7.964 3.764 1.00 0.00 C ATOM 1492 O GLU A 94 -1.348 8.796 3.671 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.700 6.418 5.704 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.622 6.516 7.229 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.437 5.712 7.770 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -1.451 4.478 7.570 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -0.546 6.350 8.372 1.00 0.00 O ATOM 0 H GLU A 94 -5.015 7.241 5.314 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.667 8.547 5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.474 5.704 5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.757 6.038 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.523 7.560 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.548 6.146 7.669 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.645 7.173 2.778 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.017 7.237 1.469 1.00 0.00 C ATOM 1506 C ALA A 95 -1.929 8.697 1.021 1.00 0.00 C ATOM 1507 O ALA A 95 -0.865 9.161 0.613 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.803 6.371 0.483 1.00 0.00 C ATOM 0 H ALA A 95 -3.393 6.484 2.859 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.001 6.843 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.332 6.419 -0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.811 5.338 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.827 6.738 0.413 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.060 9.380 1.113 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.124 10.778 0.723 1.00 0.00 C ATOM 1516 C ALA A 96 -2.111 11.579 1.544 1.00 0.00 C ATOM 1517 O ALA A 96 -1.219 12.216 0.986 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.554 11.293 0.897 1.00 0.00 C ATOM 0 H ALA A 96 -3.940 8.991 1.452 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.862 10.895 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.601 12.342 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.229 10.711 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.852 11.194 1.941 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.284 11.522 2.856 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.397 12.234 3.760 1.00 0.00 C ATOM 1526 C LYS A 97 0.045 12.094 3.267 1.00 0.00 C ATOM 1527 O LYS A 97 0.662 13.075 2.853 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.604 11.759 5.199 1.00 0.00 C ATOM 1529 CG LYS A 97 -2.069 12.910 6.095 1.00 0.00 C ATOM 1530 CD LYS A 97 -1.554 12.734 7.525 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.363 13.583 8.507 1.00 0.00 C ATOM 1532 NZ LYS A 97 -1.651 13.701 9.799 1.00 0.00 N ATOM 0 H LYS A 97 -3.026 10.993 3.315 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.631 13.298 3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.342 10.957 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.673 11.345 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.713 13.857 5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.158 12.955 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.615 11.684 7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.503 13.017 7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.532 14.574 8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.343 13.132 8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.214 14.280 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.512 12.754 10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.726 14.151 9.646 1.00 0.00 H new ATOM 1546 N ARG A 98 0.541 10.867 3.329 1.00 0.00 N ATOM 1547 CA ARG A 98 1.899 10.586 2.895 1.00 0.00 C ATOM 1548 C ARG A 98 2.214 11.353 1.609 1.00 0.00 C ATOM 1549 O ARG A 98 3.125 12.179 1.582 1.00 0.00 O ATOM 1550 CB ARG A 98 2.100 9.089 2.650 1.00 0.00 C ATOM 1551 CG ARG A 98 2.198 8.326 3.972 1.00 0.00 C ATOM 1552 CD ARG A 98 3.653 8.200 4.426 1.00 0.00 C ATOM 1553 NE ARG A 98 3.800 7.045 5.341 1.00 0.00 N ATOM 1554 CZ ARG A 98 3.371 7.033 6.610 1.00 0.00 C ATOM 1555 NH1 ARG A 98 2.767 8.112 7.124 1.00 0.00 N ATOM 1556 NH2 ARG A 98 3.547 5.940 7.366 1.00 0.00 N ATOM 0 H ARG A 98 0.027 10.056 3.673 1.00 0.00 H new ATOM 0 HA ARG A 98 2.574 10.907 3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.270 8.698 2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.007 8.931 2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.618 8.842 4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.762 7.334 3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.303 8.074 3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.966 9.115 4.929 1.00 0.00 H new ATOM 0 HE ARG A 98 4.256 6.206 4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.633 8.944 6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.441 8.102 8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.007 5.118 6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.221 5.930 8.332 1.00 0.00 H new ATOM 1570 N PHE A 99 1.444 11.051 0.574 1.00 0.00 N ATOM 1571 CA PHE A 99 1.630 11.702 -0.712 1.00 0.00 C ATOM 1572 C PHE A 99 1.851 13.206 -0.539 1.00 0.00 C ATOM 1573 O PHE A 99 2.638 13.809 -1.266 1.00 0.00 O ATOM 1574 CB PHE A 99 0.348 11.476 -1.517 1.00 0.00 C ATOM 1575 CG PHE A 99 0.448 11.911 -2.981 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.912 11.042 -3.918 1.00 0.00 C ATOM 1577 CD2 PHE A 99 0.073 13.167 -3.344 1.00 0.00 C ATOM 1578 CE1 PHE A 99 1.004 11.446 -5.277 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.165 13.571 -4.702 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.629 12.702 -5.640 1.00 0.00 C ATOM 0 H PHE A 99 0.690 10.364 0.600 1.00 0.00 H new ATOM 0 HA PHE A 99 2.505 11.289 -1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.090 10.418 -1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.468 12.020 -1.042 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.211 10.045 -3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.295 13.857 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.372 10.756 -6.022 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.133 14.568 -4.990 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.700 13.009 -6.673 1.00 0.00 H new ATOM 1590 N GLN A 100 1.142 13.768 0.429 1.00 0.00 N ATOM 1591 CA GLN A 100 1.251 15.190 0.707 1.00 0.00 C ATOM 1592 C GLN A 100 2.511 15.476 1.526 1.00 0.00 C ATOM 1593 O GLN A 100 3.134 16.525 1.367 1.00 0.00 O ATOM 1594 CB GLN A 100 0.002 15.705 1.425 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.271 15.174 0.762 1.00 0.00 C ATOM 1596 CD GLN A 100 -2.092 16.315 0.159 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.796 16.834 -0.905 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -3.139 16.676 0.896 1.00 0.00 N ATOM 0 H GLN A 100 0.490 13.264 1.030 1.00 0.00 H new ATOM 0 HA GLN A 100 1.330 15.721 -0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.027 15.398 2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.005 16.795 1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.008 14.459 -0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.872 14.638 1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.331 16.200 1.778 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.750 17.429 0.580 1.00 0.00 H new ATOM 1607 N GLU A 101 2.849 14.524 2.384 1.00 0.00 N ATOM 1608 CA GLU A 101 4.024 14.661 3.228 1.00 0.00 C ATOM 1609 C GLU A 101 5.298 14.519 2.392 1.00 0.00 C ATOM 1610 O GLU A 101 6.161 15.395 2.415 1.00 0.00 O ATOM 1611 CB GLU A 101 4.001 13.641 4.368 1.00 0.00 C ATOM 1612 CG GLU A 101 2.598 13.519 4.966 1.00 0.00 C ATOM 1613 CD GLU A 101 2.664 13.258 6.472 1.00 0.00 C ATOM 1614 OE1 GLU A 101 2.717 12.064 6.839 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.660 14.258 7.222 1.00 0.00 O ATOM 0 H GLU A 101 2.330 13.655 2.513 1.00 0.00 H new ATOM 0 HA GLU A 101 4.014 15.656 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.328 12.669 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.706 13.941 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.037 14.434 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.059 12.708 4.476 1.00 0.00 H new ATOM 1622 N LEU A 102 5.375 13.409 1.672 1.00 0.00 N ATOM 1623 CA LEU A 102 6.528 13.142 0.830 1.00 0.00 C ATOM 1624 C LEU A 102 6.922 14.422 0.091 1.00 0.00 C ATOM 1625 O LEU A 102 8.053 14.892 0.215 1.00 0.00 O ATOM 1626 CB LEU A 102 6.251 11.957 -0.097 1.00 0.00 C ATOM 1627 CG LEU A 102 6.749 10.594 0.389 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.245 10.299 1.803 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.370 9.488 -0.598 1.00 0.00 C ATOM 0 H LEU A 102 4.657 12.684 1.655 1.00 0.00 H new ATOM 0 HA LEU A 102 7.384 12.848 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.175 11.892 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.707 12.164 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 102 7.838 10.624 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.613 9.325 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.607 11.067 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.155 10.295 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.736 8.530 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.286 9.447 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.818 9.698 -1.569 1.00 0.00 H new ATOM 1641 N LYS A 103 5.969 14.951 -0.662 1.00 0.00 N ATOM 1642 CA LYS A 103 6.202 16.167 -1.421 1.00 0.00 C ATOM 1643 C LYS A 103 6.455 17.326 -0.454 1.00 0.00 C ATOM 1644 O LYS A 103 7.370 18.122 -0.659 1.00 0.00 O ATOM 1645 CB LYS A 103 5.050 16.420 -2.396 1.00 0.00 C ATOM 1646 CG LYS A 103 3.735 16.639 -1.645 1.00 0.00 C ATOM 1647 CD LYS A 103 2.536 16.477 -2.581 1.00 0.00 C ATOM 1648 CE LYS A 103 1.681 17.746 -2.603 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.418 18.856 -3.247 1.00 0.00 N ATOM 0 H LYS A 103 5.033 14.559 -0.763 1.00 0.00 H new ATOM 0 HA LYS A 103 7.095 16.065 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.273 17.293 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.949 15.572 -3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.658 15.927 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.725 17.636 -1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.885 16.252 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.929 15.631 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.753 17.557 -3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.408 18.025 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.761 19.635 -3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.166 19.193 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.846 18.520 -4.133 1.00 0.00 H new