USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 601 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 48 SER OG : rot 1:sc= 0.661 USER MOD Single : A 9 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.026) USER MOD Single : A 10 THR OG1 : rot -120:sc= -0.611 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 35:sc= -0.756 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 20 ASN : amide:sc= -0.082 X(o=-0.082,f=-0.082) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 94:sc= 1.18 USER MOD Single : A 27 SER OG : rot 180:sc= -1.74! USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 50:sc= -1.7! USER MOD Single : A 36 ASN : amide:sc= -0.3 X(o=-0.3,f=0.15) USER MOD Single : A 37 CYS SG : rot 100:sc= -0.265 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 20:sc= 0.535 USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.5) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 58 SER OG : rot -150:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.507 K(o=-0.51,f=-3.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 135:sc= -1.79! (180deg=-3.32!) USER MOD Single : A 68 ASN : amide:sc= -0.725 K(o=-0.72,f=-0.17) USER MOD Single : A 74 ASN : amide:sc= 1.08 K(o=1.1,f=-0.31) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 9 8.456 13.973 0.213 1.00 0.00 N ATOM 78 CA HIS A 9 7.479 12.901 0.059 1.00 0.00 C ATOM 79 C HIS A 9 6.613 12.771 1.308 1.00 0.00 C ATOM 80 O HIS A 9 6.957 13.288 2.372 1.00 0.00 O ATOM 81 CB HIS A 9 8.186 11.575 -0.225 1.00 0.00 C ATOM 82 CG HIS A 9 8.393 11.308 -1.684 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.374 11.926 -2.431 1.00 0.00 N ATOM 84 CD2 HIS A 9 7.739 10.482 -2.535 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.314 11.493 -3.677 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.331 10.615 -3.767 1.00 0.00 N ATOM 0 HA HIS A 9 6.835 13.149 -0.784 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.153 11.574 0.277 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.602 10.762 0.206 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.907 9.839 -2.290 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.959 11.804 -4.485 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.056 10.117 -4.614 1.00 0.00 H new ATOM 94 N THR A 10 5.486 12.079 1.173 1.00 0.00 N ATOM 95 CA THR A 10 4.570 11.883 2.289 1.00 0.00 C ATOM 96 C THR A 10 4.252 10.406 2.487 1.00 0.00 C ATOM 97 O THR A 10 3.570 9.791 1.665 1.00 0.00 O ATOM 98 CB THR A 10 3.254 12.656 2.078 1.00 0.00 C ATOM 99 OG1 THR A 10 3.521 14.058 1.969 1.00 0.00 O ATOM 100 CG2 THR A 10 2.289 12.407 3.228 1.00 0.00 C ATOM 0 H THR A 10 5.186 11.645 0.300 1.00 0.00 H new ATOM 0 HA THR A 10 5.070 12.266 3.179 1.00 0.00 H new ATOM 0 HB THR A 10 2.795 12.301 1.155 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.048 14.537 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.367 12.963 3.057 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.064 11.342 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.743 12.737 4.162 1.00 0.00 H new ATOM 108 N LEU A 11 4.748 9.840 3.582 1.00 0.00 N ATOM 109 CA LEU A 11 4.516 8.433 3.888 1.00 0.00 C ATOM 110 C LEU A 11 3.263 8.261 4.740 1.00 0.00 C ATOM 111 O LEU A 11 2.956 9.099 5.589 1.00 0.00 O ATOM 112 CB LEU A 11 5.726 7.843 4.616 1.00 0.00 C ATOM 113 CG LEU A 11 7.016 7.743 3.801 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.229 7.935 4.698 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.090 6.405 3.080 1.00 0.00 C ATOM 0 H LEU A 11 5.313 10.334 4.273 1.00 0.00 H new ATOM 0 HA LEU A 11 4.370 7.901 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.924 8.449 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.463 6.845 4.967 1.00 0.00 H new ATOM 0 HG LEU A 11 7.013 8.536 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.138 7.861 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.182 8.918 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.237 7.165 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.015 6.352 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.070 5.596 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.238 6.307 2.407 1.00 0.00 H new ATOM 127 N LEU A 12 2.543 7.168 4.510 1.00 0.00 N ATOM 128 CA LEU A 12 1.323 6.884 5.257 1.00 0.00 C ATOM 129 C LEU A 12 1.517 5.686 6.181 1.00 0.00 C ATOM 130 O LEU A 12 2.337 4.808 5.912 1.00 0.00 O ATOM 131 CB LEU A 12 0.163 6.618 4.297 1.00 0.00 C ATOM 132 CG LEU A 12 -0.487 7.853 3.670 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.846 7.503 3.087 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.616 8.967 4.699 1.00 0.00 C ATOM 0 H LEU A 12 2.783 6.464 3.812 1.00 0.00 H new ATOM 0 HA LEU A 12 1.089 7.757 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.522 5.974 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.605 6.060 4.833 1.00 0.00 H new ATOM 0 HG LEU A 12 0.152 8.205 2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.293 8.394 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.727 6.738 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.495 7.125 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.080 9.838 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.233 8.625 5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.373 9.237 5.069 1.00 0.00 H new ATOM 146 N TYR A 13 0.757 5.656 7.270 1.00 0.00 N ATOM 147 CA TYR A 13 0.845 4.566 8.234 1.00 0.00 C ATOM 148 C TYR A 13 -0.504 3.873 8.399 1.00 0.00 C ATOM 149 O TYR A 13 -1.435 4.432 8.979 1.00 0.00 O ATOM 150 CB TYR A 13 1.330 5.091 9.587 1.00 0.00 C ATOM 151 CG TYR A 13 2.680 5.770 9.524 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.614 5.415 8.560 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.020 6.768 10.430 1.00 0.00 C ATOM 154 CE1 TYR A 13 4.849 6.032 8.500 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.252 7.391 10.376 1.00 0.00 C ATOM 156 CZ TYR A 13 5.163 7.019 9.410 1.00 0.00 C ATOM 157 OH TYR A 13 6.391 7.637 9.353 1.00 0.00 O ATOM 0 H TYR A 13 0.073 6.374 7.507 1.00 0.00 H new ATOM 0 HA TYR A 13 1.563 3.838 7.855 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.596 5.796 9.978 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.382 4.261 10.292 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.371 4.643 7.845 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.309 7.061 11.189 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.564 5.743 7.744 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.500 8.165 11.087 1.00 0.00 H new ATOM 0 HH TYR A 13 6.452 8.309 10.064 1.00 0.00 H new ATOM 167 N VAL A 14 -0.602 2.652 7.884 1.00 0.00 N ATOM 168 CA VAL A 14 -1.835 1.880 7.974 1.00 0.00 C ATOM 169 C VAL A 14 -1.831 0.979 9.204 1.00 0.00 C ATOM 170 O VAL A 14 -0.781 0.495 9.628 1.00 0.00 O ATOM 171 CB VAL A 14 -2.050 1.016 6.718 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.417 0.348 6.756 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.893 1.856 5.460 1.00 0.00 C ATOM 0 H VAL A 14 0.159 2.176 7.400 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.652 2.597 8.056 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.291 0.234 6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.551 -0.258 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.487 -0.288 7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.194 1.111 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.048 1.229 4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.628 2.661 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.890 2.281 5.429 1.00 0.00 H new ATOM 183 N TYR A 15 -3.011 0.756 9.771 1.00 0.00 N ATOM 184 CA TYR A 15 -3.143 -0.087 10.954 1.00 0.00 C ATOM 185 C TYR A 15 -4.398 -0.951 10.870 1.00 0.00 C ATOM 186 O TYR A 15 -5.233 -0.767 9.985 1.00 0.00 O ATOM 187 CB TYR A 15 -3.188 0.775 12.217 1.00 0.00 C ATOM 188 CG TYR A 15 -2.064 1.782 12.303 1.00 0.00 C ATOM 189 CD1 TYR A 15 -2.189 3.043 11.733 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.877 1.474 12.956 1.00 0.00 C ATOM 191 CE1 TYR A 15 -1.164 3.966 11.809 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.153 2.391 13.038 1.00 0.00 C ATOM 193 CZ TYR A 15 0.005 3.636 12.462 1.00 0.00 C ATOM 194 OH TYR A 15 1.027 4.553 12.541 1.00 0.00 O ATOM 0 H TYR A 15 -3.890 1.147 9.431 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.274 -0.743 11.000 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.141 1.303 12.253 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.150 0.126 13.092 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.103 3.306 11.222 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.757 0.500 13.408 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.278 4.941 11.359 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.069 2.135 13.550 1.00 0.00 H new ATOM 0 HH TYR A 15 0.652 5.454 12.625 1.00 0.00 H new ATOM 204 N ASN A 16 -4.522 -1.894 11.798 1.00 0.00 N ATOM 205 CA ASN A 16 -5.674 -2.787 11.830 1.00 0.00 C ATOM 206 C ASN A 16 -5.749 -3.624 10.556 1.00 0.00 C ATOM 207 O ASN A 16 -6.787 -3.675 9.894 1.00 0.00 O ATOM 208 CB ASN A 16 -6.965 -1.984 12.002 1.00 0.00 C ATOM 209 CG ASN A 16 -7.332 -1.785 13.460 1.00 0.00 C ATOM 210 OD1 ASN A 16 -6.475 -1.489 14.293 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.612 -1.948 13.775 1.00 0.00 N ATOM 0 H ASN A 16 -3.839 -2.059 12.537 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.557 -3.459 12.680 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.851 -1.012 11.523 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.780 -2.498 11.492 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.919 -1.828 14.740 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.288 -2.193 13.052 1.00 0.00 H new ATOM 218 N LEU A 17 -4.644 -4.279 10.219 1.00 0.00 N ATOM 219 CA LEU A 17 -4.583 -5.114 9.025 1.00 0.00 C ATOM 220 C LEU A 17 -4.903 -6.568 9.361 1.00 0.00 C ATOM 221 O LEU A 17 -4.641 -7.047 10.464 1.00 0.00 O ATOM 222 CB LEU A 17 -3.199 -5.020 8.382 1.00 0.00 C ATOM 223 CG LEU A 17 -2.915 -3.747 7.583 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.422 -3.592 7.338 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.675 -3.766 6.264 1.00 0.00 C ATOM 0 H LEU A 17 -3.777 -4.248 10.756 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.329 -4.750 8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.449 -5.107 9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.069 -5.877 7.721 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.257 -2.891 8.165 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.239 -2.681 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.901 -3.533 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.054 -4.451 6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.462 -2.853 5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.363 -4.630 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.745 -3.829 6.462 1.00 0.00 H new ATOM 237 N PRO A 18 -5.480 -7.287 8.387 1.00 0.00 N ATOM 238 CA PRO A 18 -5.845 -8.697 8.554 1.00 0.00 C ATOM 239 C PRO A 18 -4.623 -9.606 8.636 1.00 0.00 C ATOM 240 O PRO A 18 -4.159 -10.131 7.625 1.00 0.00 O ATOM 241 CB PRO A 18 -6.657 -9.005 7.294 1.00 0.00 C ATOM 242 CG PRO A 18 -6.173 -8.025 6.282 1.00 0.00 C ATOM 243 CD PRO A 18 -5.820 -6.780 7.047 1.00 0.00 C ATOM 0 HA PRO A 18 -6.391 -8.870 9.482 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.497 -10.030 6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.726 -8.892 7.475 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.306 -8.413 5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.942 -7.821 5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.981 -6.253 6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.655 -6.080 7.082 1.00 0.00 H new ATOM 251 N ALA A 19 -4.107 -9.788 9.848 1.00 0.00 N ATOM 252 CA ALA A 19 -2.941 -10.636 10.061 1.00 0.00 C ATOM 253 C ALA A 19 -3.162 -12.030 9.484 1.00 0.00 C ATOM 254 O ALA A 19 -2.259 -12.615 8.888 1.00 0.00 O ATOM 255 CB ALA A 19 -2.616 -10.722 11.545 1.00 0.00 C ATOM 0 H ALA A 19 -4.478 -9.360 10.696 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.096 -10.187 9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.743 -11.358 11.690 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.406 -9.724 11.930 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.466 -11.145 12.080 1.00 0.00 H new ATOM 261 N ASN A 20 -4.369 -12.555 9.665 1.00 0.00 N ATOM 262 CA ASN A 20 -4.709 -13.882 9.163 1.00 0.00 C ATOM 263 C ASN A 20 -4.402 -13.994 7.672 1.00 0.00 C ATOM 264 O ASN A 20 -3.837 -14.988 7.216 1.00 0.00 O ATOM 265 CB ASN A 20 -6.187 -14.182 9.414 1.00 0.00 C ATOM 266 CG ASN A 20 -6.581 -13.974 10.864 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.050 -14.626 11.763 1.00 0.00 O ATOM 268 ND2 ASN A 20 -7.516 -13.060 11.097 1.00 0.00 N ATOM 0 H ASN A 20 -5.128 -12.082 10.155 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.101 -14.612 9.698 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.798 -13.541 8.779 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.400 -15.212 9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.821 -12.875 12.052 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.929 -12.543 10.320 1.00 0.00 H new ATOM 275 N LYS A 21 -4.778 -12.967 6.918 1.00 0.00 N ATOM 276 CA LYS A 21 -4.543 -12.947 5.479 1.00 0.00 C ATOM 277 C LYS A 21 -3.050 -12.887 5.172 1.00 0.00 C ATOM 278 O LYS A 21 -2.370 -11.927 5.537 1.00 0.00 O ATOM 279 CB LYS A 21 -5.254 -11.751 4.841 1.00 0.00 C ATOM 280 CG LYS A 21 -6.744 -11.705 5.131 1.00 0.00 C ATOM 281 CD LYS A 21 -7.542 -12.452 4.075 1.00 0.00 C ATOM 282 CE LYS A 21 -7.351 -13.957 4.195 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.441 -14.709 3.514 1.00 0.00 N ATOM 0 H LYS A 21 -5.247 -12.137 7.280 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.946 -13.868 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.794 -10.831 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.103 -11.782 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.938 -12.141 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.076 -10.667 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.600 -12.209 4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.233 -12.123 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.391 -14.237 3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.320 -14.237 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.275 -15.730 3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.355 -14.461 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.455 -14.462 2.504 1.00 0.00 H new ATOM 297 N ASP A 22 -2.547 -13.916 4.500 1.00 0.00 N ATOM 298 CA ASP A 22 -1.134 -13.978 4.143 1.00 0.00 C ATOM 299 C ASP A 22 -0.641 -12.626 3.637 1.00 0.00 C ATOM 300 O ASP A 22 -1.172 -12.083 2.668 1.00 0.00 O ATOM 301 CB ASP A 22 -0.903 -15.051 3.077 1.00 0.00 C ATOM 302 CG ASP A 22 -1.839 -14.902 1.893 1.00 0.00 C ATOM 303 OD1 ASP A 22 -3.038 -15.215 2.043 1.00 0.00 O ATOM 304 OD2 ASP A 22 -1.372 -14.473 0.817 1.00 0.00 O ATOM 0 H ASP A 22 -3.096 -14.718 4.191 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.569 -14.238 5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.129 -14.998 2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.039 -16.037 3.522 1.00 0.00 H new ATOM 309 N GLY A 23 0.377 -12.087 4.300 1.00 0.00 N ATOM 310 CA GLY A 23 0.923 -10.802 3.904 1.00 0.00 C ATOM 311 C GLY A 23 0.971 -10.632 2.399 1.00 0.00 C ATOM 312 O GLY A 23 0.504 -9.625 1.864 1.00 0.00 O ATOM 0 H GLY A 23 0.834 -12.517 5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.319 -10.005 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.929 -10.697 4.311 1.00 0.00 H new ATOM 316 N LYS A 24 1.538 -11.617 1.711 1.00 0.00 N ATOM 317 CA LYS A 24 1.647 -11.573 0.258 1.00 0.00 C ATOM 318 C LYS A 24 0.351 -11.068 -0.370 1.00 0.00 C ATOM 319 O LYS A 24 0.367 -10.178 -1.219 1.00 0.00 O ATOM 320 CB LYS A 24 1.984 -12.961 -0.292 1.00 0.00 C ATOM 321 CG LYS A 24 3.446 -13.341 -0.126 1.00 0.00 C ATOM 322 CD LYS A 24 3.822 -14.511 -1.019 1.00 0.00 C ATOM 323 CE LYS A 24 3.415 -15.839 -0.399 1.00 0.00 C ATOM 324 NZ LYS A 24 4.081 -16.991 -1.068 1.00 0.00 N ATOM 0 H LYS A 24 1.930 -12.457 2.137 1.00 0.00 H new ATOM 0 HA LYS A 24 2.450 -10.882 0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.365 -13.703 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.726 -12.996 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.075 -12.483 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.640 -13.599 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.340 -14.399 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.898 -14.505 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.669 -15.838 0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.333 -15.955 -0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.778 -17.877 -0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.818 -17.007 -2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.113 -16.894 -0.981 1.00 0.00 H new ATOM 338 N SER A 25 -0.770 -11.641 0.056 1.00 0.00 N ATOM 339 CA SER A 25 -2.075 -11.251 -0.466 1.00 0.00 C ATOM 340 C SER A 25 -2.433 -9.834 -0.028 1.00 0.00 C ATOM 341 O SER A 25 -2.716 -8.969 -0.856 1.00 0.00 O ATOM 342 CB SER A 25 -3.151 -12.230 0.007 1.00 0.00 C ATOM 343 OG SER A 25 -3.182 -13.387 -0.811 1.00 0.00 O ATOM 0 H SER A 25 -0.801 -12.377 0.761 1.00 0.00 H new ATOM 0 HA SER A 25 -2.026 -11.275 -1.555 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.957 -12.517 1.041 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.125 -11.741 -0.011 1.00 0.00 H new ATOM 0 HG SER A 25 -2.622 -14.085 -0.411 1.00 0.00 H new ATOM 349 N VAL A 26 -2.418 -9.604 1.281 1.00 0.00 N ATOM 350 CA VAL A 26 -2.739 -8.293 1.831 1.00 0.00 C ATOM 351 C VAL A 26 -2.096 -7.180 1.011 1.00 0.00 C ATOM 352 O VAL A 26 -2.788 -6.383 0.378 1.00 0.00 O ATOM 353 CB VAL A 26 -2.277 -8.169 3.295 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.602 -6.788 3.843 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.916 -9.254 4.149 1.00 0.00 C ATOM 0 H VAL A 26 -2.187 -10.309 1.981 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.823 -8.191 1.790 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.196 -8.301 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.268 -6.720 4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.093 -6.031 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.678 -6.622 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.578 -9.151 5.180 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.001 -9.155 4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.627 -10.234 3.769 1.00 0.00 H new ATOM 365 N SER A 27 -0.768 -7.133 1.027 1.00 0.00 N ATOM 366 CA SER A 27 -0.031 -6.115 0.287 1.00 0.00 C ATOM 367 C SER A 27 -0.752 -5.757 -1.009 1.00 0.00 C ATOM 368 O SER A 27 -1.213 -4.630 -1.183 1.00 0.00 O ATOM 369 CB SER A 27 1.385 -6.606 -0.023 1.00 0.00 C ATOM 370 OG SER A 27 1.899 -7.386 1.043 1.00 0.00 O ATOM 0 H SER A 27 -0.181 -7.787 1.544 1.00 0.00 H new ATOM 0 HA SER A 27 0.029 -5.221 0.908 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.376 -7.197 -0.939 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.039 -5.752 -0.201 1.00 0.00 H new ATOM 0 HG SER A 27 2.804 -7.689 0.820 1.00 0.00 H new ATOM 376 N ASN A 28 -0.843 -6.725 -1.915 1.00 0.00 N ATOM 377 CA ASN A 28 -1.507 -6.512 -3.196 1.00 0.00 C ATOM 378 C ASN A 28 -2.731 -5.615 -3.032 1.00 0.00 C ATOM 379 O ASN A 28 -2.826 -4.558 -3.657 1.00 0.00 O ATOM 380 CB ASN A 28 -1.921 -7.851 -3.808 1.00 0.00 C ATOM 381 CG ASN A 28 -2.285 -7.729 -5.276 1.00 0.00 C ATOM 382 OD1 ASN A 28 -3.441 -7.484 -5.622 1.00 0.00 O ATOM 383 ND2 ASN A 28 -1.297 -7.899 -6.146 1.00 0.00 N ATOM 0 H ASN A 28 -0.466 -7.664 -1.786 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.802 -6.017 -3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.105 -8.566 -3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.772 -8.251 -3.258 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.481 -7.828 -7.147 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.354 -8.101 -5.814 1.00 0.00 H new ATOM 390 N ARG A 29 -3.663 -6.044 -2.188 1.00 0.00 N ATOM 391 CA ARG A 29 -4.881 -5.281 -1.943 1.00 0.00 C ATOM 392 C ARG A 29 -4.559 -3.812 -1.685 1.00 0.00 C ATOM 393 O ARG A 29 -5.247 -2.918 -2.181 1.00 0.00 O ATOM 394 CB ARG A 29 -5.642 -5.864 -0.750 1.00 0.00 C ATOM 395 CG ARG A 29 -6.829 -5.021 -0.314 1.00 0.00 C ATOM 396 CD ARG A 29 -7.945 -5.054 -1.347 1.00 0.00 C ATOM 397 NE ARG A 29 -7.639 -4.228 -2.511 1.00 0.00 N ATOM 398 CZ ARG A 29 -8.517 -3.953 -3.469 1.00 0.00 C ATOM 399 NH1 ARG A 29 -9.750 -4.435 -3.400 1.00 0.00 N ATOM 400 NH2 ARG A 29 -8.163 -3.193 -4.497 1.00 0.00 N ATOM 0 H ARG A 29 -3.598 -6.916 -1.662 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.507 -5.348 -2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.992 -6.864 -1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.956 -5.972 0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.205 -5.387 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.507 -3.991 -0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.113 -6.083 -1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.872 -4.707 -0.890 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.699 -3.841 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.026 -5.018 -2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.423 -4.223 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.216 -2.819 -4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.838 -2.983 -5.232 1.00 0.00 H new ATOM 414 N LEU A 30 -3.511 -3.569 -0.906 1.00 0.00 N ATOM 415 CA LEU A 30 -3.097 -2.208 -0.582 1.00 0.00 C ATOM 416 C LEU A 30 -2.403 -1.552 -1.771 1.00 0.00 C ATOM 417 O LEU A 30 -2.523 -0.346 -1.985 1.00 0.00 O ATOM 418 CB LEU A 30 -2.164 -2.213 0.630 1.00 0.00 C ATOM 419 CG LEU A 30 -2.830 -2.428 1.989 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.921 -3.911 2.311 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.067 -1.690 3.080 1.00 0.00 C ATOM 0 H LEU A 30 -2.932 -4.297 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.990 -1.630 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.418 -2.995 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.630 -1.263 0.656 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.841 -2.024 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.398 -4.044 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.511 -4.414 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.919 -4.340 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.555 -1.854 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.044 -2.063 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.055 -0.623 2.857 1.00 0.00 H new ATOM 433 N ARG A 31 -1.677 -2.355 -2.543 1.00 0.00 N ATOM 434 CA ARG A 31 -0.964 -1.853 -3.711 1.00 0.00 C ATOM 435 C ARG A 31 -1.919 -1.147 -4.669 1.00 0.00 C ATOM 436 O ARG A 31 -1.605 -0.083 -5.203 1.00 0.00 O ATOM 437 CB ARG A 31 -0.255 -2.999 -4.434 1.00 0.00 C ATOM 438 CG ARG A 31 1.147 -3.272 -3.913 1.00 0.00 C ATOM 439 CD ARG A 31 1.746 -4.515 -4.552 1.00 0.00 C ATOM 440 NE ARG A 31 2.322 -4.233 -5.865 1.00 0.00 N ATOM 441 CZ ARG A 31 2.706 -5.176 -6.717 1.00 0.00 C ATOM 442 NH1 ARG A 31 2.577 -6.456 -6.396 1.00 0.00 N ATOM 443 NH2 ARG A 31 3.221 -4.840 -7.893 1.00 0.00 N ATOM 0 H ARG A 31 -1.567 -3.356 -2.380 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.221 -1.133 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.853 -3.905 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.200 -2.768 -5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.786 -2.413 -4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.116 -3.397 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.517 -4.923 -3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.975 -5.279 -4.651 1.00 0.00 H new ATOM 0 HE ARG A 31 2.435 -3.258 -6.142 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.182 -6.718 -5.493 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.873 -7.179 -7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.322 -3.856 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.516 -5.565 -8.547 1.00 0.00 H new ATOM 457 N ARG A 32 -3.086 -1.746 -4.881 1.00 0.00 N ATOM 458 CA ARG A 32 -4.086 -1.176 -5.776 1.00 0.00 C ATOM 459 C ARG A 32 -4.633 0.134 -5.216 1.00 0.00 C ATOM 460 O ARG A 32 -4.859 1.092 -5.957 1.00 0.00 O ATOM 461 CB ARG A 32 -5.231 -2.167 -5.993 1.00 0.00 C ATOM 462 CG ARG A 32 -5.020 -3.090 -7.182 1.00 0.00 C ATOM 463 CD ARG A 32 -5.609 -2.503 -8.455 1.00 0.00 C ATOM 464 NE ARG A 32 -5.693 -3.492 -9.526 1.00 0.00 N ATOM 465 CZ ARG A 32 -6.383 -3.306 -10.646 1.00 0.00 C ATOM 466 NH1 ARG A 32 -7.046 -2.174 -10.839 1.00 0.00 N ATOM 467 NH2 ARG A 32 -6.412 -4.253 -11.574 1.00 0.00 N ATOM 0 H ARG A 32 -3.362 -2.626 -4.445 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.606 -0.970 -6.733 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.354 -2.770 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.159 -1.612 -6.134 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.954 -3.267 -7.321 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.480 -4.057 -6.979 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.604 -2.109 -8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.997 -1.663 -8.784 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.195 -4.374 -9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.027 -1.444 -10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.575 -2.033 -11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.904 -5.126 -11.428 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.942 -4.109 -12.433 1.00 0.00 H new ATOM 481 N LEU A 33 -4.843 0.169 -3.905 1.00 0.00 N ATOM 482 CA LEU A 33 -5.363 1.362 -3.245 1.00 0.00 C ATOM 483 C LEU A 33 -4.346 2.497 -3.291 1.00 0.00 C ATOM 484 O LEU A 33 -4.706 3.671 -3.194 1.00 0.00 O ATOM 485 CB LEU A 33 -5.728 1.047 -1.793 1.00 0.00 C ATOM 486 CG LEU A 33 -6.965 0.172 -1.586 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.900 -0.534 -0.241 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.232 1.008 -1.692 1.00 0.00 C ATOM 0 H LEU A 33 -4.661 -0.615 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.259 1.681 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.876 0.554 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.881 1.988 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.987 -0.586 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.788 -1.152 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.011 -1.164 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.854 0.207 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.103 0.370 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.218 1.788 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.284 1.466 -2.680 1.00 0.00 H new ATOM 500 N SER A 34 -3.075 2.140 -3.443 1.00 0.00 N ATOM 501 CA SER A 34 -2.005 3.130 -3.501 1.00 0.00 C ATOM 502 C SER A 34 -1.713 3.531 -4.944 1.00 0.00 C ATOM 503 O SER A 34 -1.263 4.645 -5.211 1.00 0.00 O ATOM 504 CB SER A 34 -0.736 2.579 -2.847 1.00 0.00 C ATOM 505 OG SER A 34 0.093 3.628 -2.378 1.00 0.00 O ATOM 0 H SER A 34 -2.761 1.173 -3.528 1.00 0.00 H new ATOM 0 HA SER A 34 -2.333 4.015 -2.955 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.005 1.925 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.187 1.971 -3.566 1.00 0.00 H new ATOM 0 HG SER A 34 -0.440 4.251 -1.841 1.00 0.00 H new ATOM 511 N ASP A 35 -1.973 2.614 -5.870 1.00 0.00 N ATOM 512 CA ASP A 35 -1.740 2.872 -7.286 1.00 0.00 C ATOM 513 C ASP A 35 -2.658 3.979 -7.796 1.00 0.00 C ATOM 514 O ASP A 35 -2.253 4.809 -8.609 1.00 0.00 O ATOM 515 CB ASP A 35 -1.960 1.596 -8.101 1.00 0.00 C ATOM 516 CG ASP A 35 -1.803 1.826 -9.591 1.00 0.00 C ATOM 517 OD1 ASP A 35 -0.770 2.398 -9.998 1.00 0.00 O ATOM 518 OD2 ASP A 35 -2.713 1.434 -10.350 1.00 0.00 O ATOM 0 H ASP A 35 -2.345 1.686 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.707 3.198 -7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.250 0.835 -7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.958 1.207 -7.900 1.00 0.00 H new ATOM 523 N ASN A 36 -3.896 3.984 -7.312 1.00 0.00 N ATOM 524 CA ASN A 36 -4.872 4.988 -7.720 1.00 0.00 C ATOM 525 C ASN A 36 -4.640 6.303 -6.981 1.00 0.00 C ATOM 526 O ASN A 36 -5.057 7.367 -7.441 1.00 0.00 O ATOM 527 CB ASN A 36 -6.292 4.485 -7.456 1.00 0.00 C ATOM 528 CG ASN A 36 -7.334 5.256 -8.244 1.00 0.00 C ATOM 529 OD1 ASN A 36 -7.445 6.476 -8.121 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.103 4.545 -9.060 1.00 0.00 N ATOM 0 H ASN A 36 -4.247 3.304 -6.637 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.750 5.166 -8.788 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.354 3.428 -7.714 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.512 4.567 -6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.821 5.008 -9.617 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.976 3.535 -9.130 1.00 0.00 H new ATOM 537 N CYS A 37 -3.973 6.222 -5.836 1.00 0.00 N ATOM 538 CA CYS A 37 -3.685 7.405 -5.033 1.00 0.00 C ATOM 539 C CYS A 37 -2.267 7.904 -5.288 1.00 0.00 C ATOM 540 O CYS A 37 -1.723 8.686 -4.509 1.00 0.00 O ATOM 541 CB CYS A 37 -3.870 7.095 -3.546 1.00 0.00 C ATOM 542 SG CYS A 37 -5.578 6.734 -3.074 1.00 0.00 S ATOM 0 H CYS A 37 -3.621 5.349 -5.442 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.384 8.189 -5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.244 6.243 -3.283 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.515 7.944 -2.962 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.741 5.447 -2.985 1.00 0.00 H new ATOM 548 N GLY A 38 -1.671 7.444 -6.384 1.00 0.00 N ATOM 549 CA GLY A 38 -0.321 7.853 -6.722 1.00 0.00 C ATOM 550 C GLY A 38 0.670 7.554 -5.614 1.00 0.00 C ATOM 551 O GLY A 38 1.340 8.455 -5.112 1.00 0.00 O ATOM 0 H GLY A 38 -2.100 6.795 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.008 7.343 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.311 8.922 -6.935 1.00 0.00 H new ATOM 555 N GLY A 39 0.760 6.285 -5.229 1.00 0.00 N ATOM 556 CA GLY A 39 1.677 5.893 -4.175 1.00 0.00 C ATOM 557 C GLY A 39 2.155 4.462 -4.324 1.00 0.00 C ATOM 558 O GLY A 39 1.793 3.775 -5.279 1.00 0.00 O ATOM 0 H GLY A 39 0.214 5.521 -5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.537 6.562 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.186 6.010 -3.209 1.00 0.00 H new ATOM 562 N LYS A 40 2.973 4.012 -3.379 1.00 0.00 N ATOM 563 CA LYS A 40 3.503 2.654 -3.409 1.00 0.00 C ATOM 564 C LYS A 40 3.729 2.127 -1.995 1.00 0.00 C ATOM 565 O LYS A 40 4.196 2.853 -1.118 1.00 0.00 O ATOM 566 CB LYS A 40 4.816 2.614 -4.195 1.00 0.00 C ATOM 567 CG LYS A 40 5.367 1.211 -4.387 1.00 0.00 C ATOM 568 CD LYS A 40 6.399 1.166 -5.501 1.00 0.00 C ATOM 569 CE LYS A 40 7.672 1.902 -5.112 1.00 0.00 C ATOM 570 NZ LYS A 40 8.603 1.032 -4.342 1.00 0.00 N ATOM 0 H LYS A 40 3.284 4.568 -2.582 1.00 0.00 H new ATOM 0 HA LYS A 40 2.771 2.016 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.659 3.071 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.559 3.219 -3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.819 0.866 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.551 0.527 -4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.635 0.129 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.981 1.612 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.172 2.263 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.417 2.778 -4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.458 1.571 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.135 0.708 -3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.867 0.209 -4.920 1.00 0.00 H new ATOM 584 N VAL A 41 3.394 0.858 -1.781 1.00 0.00 N ATOM 585 CA VAL A 41 3.562 0.233 -0.475 1.00 0.00 C ATOM 586 C VAL A 41 5.020 -0.137 -0.226 1.00 0.00 C ATOM 587 O VAL A 41 5.473 -1.215 -0.612 1.00 0.00 O ATOM 588 CB VAL A 41 2.694 -1.032 -0.341 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.775 -1.871 -1.607 1.00 0.00 C ATOM 590 CG2 VAL A 41 3.117 -1.842 0.874 1.00 0.00 C ATOM 0 H VAL A 41 3.005 0.243 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 41 3.243 0.964 0.268 1.00 0.00 H new ATOM 0 HB VAL A 41 1.657 -0.727 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.156 -2.761 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.419 -1.286 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.809 -2.169 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.493 -2.732 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.161 -2.139 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.001 -1.237 1.773 1.00 0.00 H new ATOM 600 N LEU A 42 5.751 0.764 0.421 1.00 0.00 N ATOM 601 CA LEU A 42 7.160 0.533 0.723 1.00 0.00 C ATOM 602 C LEU A 42 7.359 -0.828 1.383 1.00 0.00 C ATOM 603 O LEU A 42 8.110 -1.666 0.885 1.00 0.00 O ATOM 604 CB LEU A 42 7.694 1.638 1.635 1.00 0.00 C ATOM 605 CG LEU A 42 7.626 3.060 1.077 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.505 3.997 1.893 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.040 3.079 -0.387 1.00 0.00 C ATOM 0 H LEU A 42 5.392 1.661 0.747 1.00 0.00 H new ATOM 0 HA LEU A 42 7.714 0.546 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.137 1.610 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.733 1.413 1.875 1.00 0.00 H new ATOM 0 HG LEU A 42 6.595 3.408 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.444 5.004 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.163 4.007 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.538 3.652 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.986 4.099 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.062 2.711 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.370 2.441 -0.963 1.00 0.00 H new ATOM 619 N SER A 43 6.680 -1.040 2.506 1.00 0.00 N ATOM 620 CA SER A 43 6.784 -2.298 3.236 1.00 0.00 C ATOM 621 C SER A 43 5.544 -2.532 4.095 1.00 0.00 C ATOM 622 O SER A 43 4.715 -1.637 4.263 1.00 0.00 O ATOM 623 CB SER A 43 8.035 -2.300 4.115 1.00 0.00 C ATOM 624 OG SER A 43 9.178 -2.694 3.375 1.00 0.00 O ATOM 0 H SER A 43 6.052 -0.357 2.930 1.00 0.00 H new ATOM 0 HA SER A 43 6.859 -3.106 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.193 -1.305 4.531 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.891 -2.978 4.956 1.00 0.00 H new ATOM 0 HG SER A 43 9.004 -2.577 2.418 1.00 0.00 H new ATOM 630 N ILE A 44 5.426 -3.740 4.635 1.00 0.00 N ATOM 631 CA ILE A 44 4.289 -4.091 5.477 1.00 0.00 C ATOM 632 C ILE A 44 4.741 -4.844 6.724 1.00 0.00 C ATOM 633 O ILE A 44 5.100 -6.021 6.657 1.00 0.00 O ATOM 634 CB ILE A 44 3.268 -4.954 4.712 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.710 -4.181 3.515 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.143 -5.389 5.639 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.315 -5.067 2.354 1.00 0.00 C ATOM 0 H ILE A 44 6.103 -4.492 4.505 1.00 0.00 H new ATOM 0 HA ILE A 44 3.813 -3.156 5.772 1.00 0.00 H new ATOM 0 HB ILE A 44 3.773 -5.846 4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.840 -3.608 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.457 -3.463 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.429 -5.998 5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.555 -5.972 6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.637 -4.509 6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.928 -4.452 1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.187 -5.621 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.545 -5.768 2.677 1.00 0.00 H new ATOM 649 N THR A 45 4.719 -4.159 7.862 1.00 0.00 N ATOM 650 CA THR A 45 5.125 -4.762 9.125 1.00 0.00 C ATOM 651 C THR A 45 3.916 -5.083 9.996 1.00 0.00 C ATOM 652 O THR A 45 2.979 -4.291 10.090 1.00 0.00 O ATOM 653 CB THR A 45 6.077 -3.838 9.909 1.00 0.00 C ATOM 654 OG1 THR A 45 5.363 -2.693 10.389 1.00 0.00 O ATOM 655 CG2 THR A 45 7.237 -3.389 9.034 1.00 0.00 C ATOM 0 H THR A 45 4.424 -3.185 7.935 1.00 0.00 H new ATOM 0 HA THR A 45 5.648 -5.686 8.879 1.00 0.00 H new ATOM 0 HB THR A 45 6.476 -4.397 10.755 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.974 -2.112 10.888 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.896 -2.738 9.609 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.795 -4.261 8.694 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.853 -2.846 8.171 1.00 0.00 H new ATOM 663 N GLY A 46 3.943 -6.251 10.632 1.00 0.00 N ATOM 664 CA GLY A 46 2.842 -6.655 11.487 1.00 0.00 C ATOM 665 C GLY A 46 1.490 -6.312 10.894 1.00 0.00 C ATOM 666 O GLY A 46 1.241 -6.563 9.714 1.00 0.00 O ATOM 0 H GLY A 46 4.707 -6.924 10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.897 -7.730 11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.943 -6.170 12.458 1.00 0.00 H new ATOM 670 N CYS A 47 0.615 -5.738 11.712 1.00 0.00 N ATOM 671 CA CYS A 47 -0.720 -5.362 11.261 1.00 0.00 C ATOM 672 C CYS A 47 -0.729 -3.937 10.718 1.00 0.00 C ATOM 673 O CYS A 47 -1.788 -3.331 10.555 1.00 0.00 O ATOM 674 CB CYS A 47 -1.723 -5.489 12.409 1.00 0.00 C ATOM 675 SG CYS A 47 -1.542 -7.002 13.383 1.00 0.00 S ATOM 0 H CYS A 47 0.806 -5.523 12.691 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.010 -6.040 10.458 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.614 -4.629 13.070 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.733 -5.451 12.001 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.432 -7.017 14.330 1.00 0.00 H new ATOM 681 N SER A 48 0.458 -3.407 10.441 1.00 0.00 N ATOM 682 CA SER A 48 0.587 -2.050 9.921 1.00 0.00 C ATOM 683 C SER A 48 1.364 -2.044 8.608 1.00 0.00 C ATOM 684 O SER A 48 2.037 -3.016 8.267 1.00 0.00 O ATOM 685 CB SER A 48 1.285 -1.153 10.945 1.00 0.00 C ATOM 686 OG SER A 48 2.552 -1.677 11.302 1.00 0.00 O ATOM 0 H SER A 48 1.344 -3.896 10.568 1.00 0.00 H new ATOM 0 HA SER A 48 -0.414 -1.662 9.732 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.405 -0.151 10.533 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.663 -1.059 11.835 1.00 0.00 H new ATOM 0 HG SER A 48 2.719 -2.501 10.798 1.00 0.00 H new ATOM 692 N ALA A 49 1.267 -0.939 7.876 1.00 0.00 N ATOM 693 CA ALA A 49 1.962 -0.803 6.602 1.00 0.00 C ATOM 694 C ALA A 49 2.437 0.629 6.385 1.00 0.00 C ATOM 695 O ALA A 49 1.902 1.567 6.978 1.00 0.00 O ATOM 696 CB ALA A 49 1.058 -1.240 5.458 1.00 0.00 C ATOM 0 H ALA A 49 0.714 -0.125 8.144 1.00 0.00 H new ATOM 0 HA ALA A 49 2.839 -1.449 6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.590 -1.133 4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.772 -2.283 5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.163 -0.618 5.443 1.00 0.00 H new ATOM 702 N ILE A 50 3.444 0.792 5.534 1.00 0.00 N ATOM 703 CA ILE A 50 3.990 2.111 5.240 1.00 0.00 C ATOM 704 C ILE A 50 4.052 2.357 3.736 1.00 0.00 C ATOM 705 O ILE A 50 4.787 1.682 3.015 1.00 0.00 O ATOM 706 CB ILE A 50 5.400 2.281 5.835 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.344 2.219 7.363 1.00 0.00 C ATOM 708 CG2 ILE A 50 6.013 3.596 5.376 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.705 2.110 8.014 1.00 0.00 C ATOM 0 H ILE A 50 3.899 0.027 5.036 1.00 0.00 H new ATOM 0 HA ILE A 50 3.321 2.840 5.698 1.00 0.00 H new ATOM 0 HB ILE A 50 6.029 1.465 5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.842 3.112 7.737 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.738 1.364 7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.010 3.702 5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.083 3.605 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.386 4.424 5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.588 2.071 9.097 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.202 1.203 7.669 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.307 2.978 7.745 1.00 0.00 H new ATOM 721 N LEU A 51 3.277 3.330 3.270 1.00 0.00 N ATOM 722 CA LEU A 51 3.244 3.668 1.851 1.00 0.00 C ATOM 723 C LEU A 51 4.055 4.930 1.574 1.00 0.00 C ATOM 724 O LEU A 51 4.446 5.645 2.497 1.00 0.00 O ATOM 725 CB LEU A 51 1.800 3.863 1.386 1.00 0.00 C ATOM 726 CG LEU A 51 0.879 2.651 1.530 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.192 2.661 2.887 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.150 2.627 0.410 1.00 0.00 C ATOM 0 H LEU A 51 2.663 3.899 3.853 1.00 0.00 H new ATOM 0 HA LEU A 51 3.689 2.843 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.368 4.691 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.814 4.161 0.338 1.00 0.00 H new ATOM 0 HG LEU A 51 1.485 1.748 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.459 1.791 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.944 2.629 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.401 3.570 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.797 1.758 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.752 3.535 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.360 2.571 -0.552 1.00 0.00 H new ATOM 740 N ARG A 52 4.302 5.200 0.296 1.00 0.00 N ATOM 741 CA ARG A 52 5.065 6.376 -0.103 1.00 0.00 C ATOM 742 C ARG A 52 4.315 7.175 -1.165 1.00 0.00 C ATOM 743 O ARG A 52 4.124 6.709 -2.288 1.00 0.00 O ATOM 744 CB ARG A 52 6.438 5.963 -0.635 1.00 0.00 C ATOM 745 CG ARG A 52 7.286 7.134 -1.106 1.00 0.00 C ATOM 746 CD ARG A 52 8.133 7.698 0.023 1.00 0.00 C ATOM 747 NE ARG A 52 9.387 6.967 0.185 1.00 0.00 N ATOM 748 CZ ARG A 52 10.344 7.327 1.034 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.190 8.402 1.794 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.457 6.610 1.123 1.00 0.00 N ATOM 0 H ARG A 52 3.985 4.620 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 52 5.199 7.007 0.775 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.976 5.428 0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.303 5.267 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.933 6.811 -1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.639 7.916 -1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.349 8.748 -0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.568 7.659 0.954 1.00 0.00 H new ATOM 0 HE ARG A 52 9.537 6.134 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.335 8.955 1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.926 8.676 2.445 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.578 5.782 0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.191 6.887 1.775 1.00 0.00 H new ATOM 764 N PHE A 53 3.893 8.382 -0.802 1.00 0.00 N ATOM 765 CA PHE A 53 3.164 9.246 -1.723 1.00 0.00 C ATOM 766 C PHE A 53 4.014 10.444 -2.134 1.00 0.00 C ATOM 767 O PHE A 53 4.739 11.013 -1.317 1.00 0.00 O ATOM 768 CB PHE A 53 1.861 9.727 -1.080 1.00 0.00 C ATOM 769 CG PHE A 53 0.887 8.619 -0.797 1.00 0.00 C ATOM 770 CD1 PHE A 53 0.991 7.867 0.361 1.00 0.00 C ATOM 771 CD2 PHE A 53 -0.132 8.330 -1.690 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.096 6.847 0.625 1.00 0.00 C ATOM 773 CE2 PHE A 53 -1.030 7.312 -1.432 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.915 6.568 -0.274 1.00 0.00 C ATOM 0 H PHE A 53 4.043 8.784 0.123 1.00 0.00 H new ATOM 0 HA PHE A 53 2.929 8.667 -2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.094 10.242 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.388 10.456 -1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.781 8.080 1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.226 8.907 -2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.187 6.269 1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.821 7.098 -2.135 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.614 5.770 -0.072 1.00 0.00 H new ATOM 784 N ILE A 54 3.920 10.821 -3.404 1.00 0.00 N ATOM 785 CA ILE A 54 4.679 11.951 -3.924 1.00 0.00 C ATOM 786 C ILE A 54 4.633 13.134 -2.962 1.00 0.00 C ATOM 787 O ILE A 54 5.670 13.662 -2.563 1.00 0.00 O ATOM 788 CB ILE A 54 4.149 12.402 -5.298 1.00 0.00 C ATOM 789 CG1 ILE A 54 4.925 13.625 -5.792 1.00 0.00 C ATOM 790 CG2 ILE A 54 2.661 12.708 -5.218 1.00 0.00 C ATOM 791 CD1 ILE A 54 6.138 13.275 -6.625 1.00 0.00 C ATOM 0 H ILE A 54 3.325 10.360 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 54 5.710 11.614 -4.034 1.00 0.00 H new ATOM 0 HB ILE A 54 4.295 11.591 -6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.258 14.254 -6.382 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.243 14.215 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.302 13.025 -6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.122 11.814 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.492 13.505 -4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.639 14.190 -6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.825 12.671 -6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.825 12.711 -7.504 1.00 0.00 H new ATOM 803 N ASN A 55 3.424 13.542 -2.592 1.00 0.00 N ATOM 804 CA ASN A 55 3.242 14.661 -1.675 1.00 0.00 C ATOM 805 C ASN A 55 2.035 14.433 -0.771 1.00 0.00 C ATOM 806 O ASN A 55 1.271 13.488 -0.966 1.00 0.00 O ATOM 807 CB ASN A 55 3.070 15.965 -2.456 1.00 0.00 C ATOM 808 CG ASN A 55 2.116 15.816 -3.626 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.961 15.425 -3.454 1.00 0.00 O ATOM 810 ND2 ASN A 55 2.597 16.127 -4.824 1.00 0.00 N ATOM 0 H ASN A 55 2.555 13.114 -2.913 1.00 0.00 H new ATOM 0 HA ASN A 55 4.132 14.735 -1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.700 16.741 -1.786 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.041 16.297 -2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.003 16.046 -5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.561 16.447 -4.919 1.00 0.00 H new ATOM 817 N GLN A 56 1.869 15.306 0.218 1.00 0.00 N ATOM 818 CA GLN A 56 0.754 15.200 1.151 1.00 0.00 C ATOM 819 C GLN A 56 -0.544 14.883 0.416 1.00 0.00 C ATOM 820 O GLN A 56 -1.112 13.803 0.577 1.00 0.00 O ATOM 821 CB GLN A 56 0.601 16.498 1.945 1.00 0.00 C ATOM 822 CG GLN A 56 -0.659 16.547 2.795 1.00 0.00 C ATOM 823 CD GLN A 56 -0.588 17.599 3.884 1.00 0.00 C ATOM 824 OE1 GLN A 56 0.189 18.550 3.795 1.00 0.00 O ATOM 825 NE2 GLN A 56 -1.401 17.433 4.921 1.00 0.00 N ATOM 0 H GLN A 56 2.492 16.094 0.393 1.00 0.00 H new ATOM 0 HA GLN A 56 0.967 14.383 1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.470 16.624 2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.595 17.339 1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.517 16.750 2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.824 15.570 3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.029 16.630 4.953 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.398 18.109 5.685 1.00 0.00 H new ATOM 834 N ASP A 57 -1.007 15.831 -0.391 1.00 0.00 N ATOM 835 CA ASP A 57 -2.238 15.653 -1.152 1.00 0.00 C ATOM 836 C ASP A 57 -2.416 14.195 -1.565 1.00 0.00 C ATOM 837 O ASP A 57 -3.299 13.501 -1.062 1.00 0.00 O ATOM 838 CB ASP A 57 -2.231 16.550 -2.391 1.00 0.00 C ATOM 839 CG ASP A 57 -3.622 16.773 -2.952 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.139 15.865 -3.635 1.00 0.00 O ATOM 841 OD2 ASP A 57 -4.194 17.857 -2.709 1.00 0.00 O ATOM 0 H ASP A 57 -0.548 16.731 -0.535 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.075 15.935 -0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.786 17.512 -2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.601 16.100 -3.158 1.00 0.00 H new ATOM 846 N SER A 58 -1.571 13.739 -2.484 1.00 0.00 N ATOM 847 CA SER A 58 -1.638 12.365 -2.968 1.00 0.00 C ATOM 848 C SER A 58 -1.806 11.388 -1.809 1.00 0.00 C ATOM 849 O SER A 58 -2.533 10.401 -1.915 1.00 0.00 O ATOM 850 CB SER A 58 -0.377 12.020 -3.762 1.00 0.00 C ATOM 851 OG SER A 58 -0.516 12.385 -5.125 1.00 0.00 O ATOM 0 H SER A 58 -0.832 14.300 -2.908 1.00 0.00 H new ATOM 0 HA SER A 58 -2.506 12.278 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.481 12.535 -3.330 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.177 10.951 -3.687 1.00 0.00 H new ATOM 0 HG SER A 58 0.017 11.780 -5.682 1.00 0.00 H new ATOM 857 N ALA A 59 -1.127 11.671 -0.702 1.00 0.00 N ATOM 858 CA ALA A 59 -1.202 10.819 0.479 1.00 0.00 C ATOM 859 C ALA A 59 -2.575 10.911 1.136 1.00 0.00 C ATOM 860 O ALA A 59 -3.126 9.907 1.584 1.00 0.00 O ATOM 861 CB ALA A 59 -0.113 11.197 1.472 1.00 0.00 C ATOM 0 H ALA A 59 -0.519 12.483 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.048 9.787 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.181 10.553 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.864 11.073 1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.241 12.236 1.774 1.00 0.00 H new ATOM 867 N GLU A 60 -3.120 12.123 1.190 1.00 0.00 N ATOM 868 CA GLU A 60 -4.428 12.344 1.795 1.00 0.00 C ATOM 869 C GLU A 60 -5.475 11.419 1.181 1.00 0.00 C ATOM 870 O GLU A 60 -6.011 10.538 1.853 1.00 0.00 O ATOM 871 CB GLU A 60 -4.855 13.803 1.619 1.00 0.00 C ATOM 872 CG GLU A 60 -3.883 14.799 2.228 1.00 0.00 C ATOM 873 CD GLU A 60 -4.519 16.150 2.490 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.279 16.267 3.474 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.258 17.091 1.711 1.00 0.00 O ATOM 0 H GLU A 60 -2.677 12.965 0.823 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.350 12.121 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.961 14.016 0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.837 13.943 2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.495 14.397 3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.032 14.926 1.559 1.00 0.00 H new ATOM 882 N ARG A 61 -5.762 11.627 -0.100 1.00 0.00 N ATOM 883 CA ARG A 61 -6.745 10.814 -0.805 1.00 0.00 C ATOM 884 C ARG A 61 -6.664 9.356 -0.361 1.00 0.00 C ATOM 885 O ARG A 61 -7.686 8.691 -0.193 1.00 0.00 O ATOM 886 CB ARG A 61 -6.529 10.910 -2.316 1.00 0.00 C ATOM 887 CG ARG A 61 -6.608 12.330 -2.854 1.00 0.00 C ATOM 888 CD ARG A 61 -6.551 12.354 -4.373 1.00 0.00 C ATOM 889 NE ARG A 61 -7.812 11.928 -4.975 1.00 0.00 N ATOM 890 CZ ARG A 61 -7.921 11.503 -6.229 1.00 0.00 C ATOM 891 NH1 ARG A 61 -6.850 11.447 -7.009 1.00 0.00 N ATOM 892 NH2 ARG A 61 -9.103 11.132 -6.704 1.00 0.00 N ATOM 0 H ARG A 61 -5.327 12.352 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.736 11.196 -0.562 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.553 10.491 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.276 10.297 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.533 12.797 -2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.786 12.920 -2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.310 13.362 -4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.747 11.702 -4.716 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.655 11.959 -4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.940 11.731 -6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.937 11.120 -7.971 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.929 11.173 -6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.186 10.806 -7.667 1.00 0.00 H new ATOM 906 N ALA A 62 -5.443 8.867 -0.173 1.00 0.00 N ATOM 907 CA ALA A 62 -5.229 7.490 0.253 1.00 0.00 C ATOM 908 C ALA A 62 -5.519 7.324 1.741 1.00 0.00 C ATOM 909 O ALA A 62 -6.119 6.334 2.158 1.00 0.00 O ATOM 910 CB ALA A 62 -3.804 7.056 -0.060 1.00 0.00 C ATOM 0 H ALA A 62 -4.587 9.404 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.921 6.854 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.658 6.025 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.629 7.127 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.103 7.704 0.466 1.00 0.00 H new ATOM 916 N GLN A 63 -5.088 8.298 2.536 1.00 0.00 N ATOM 917 CA GLN A 63 -5.301 8.258 3.977 1.00 0.00 C ATOM 918 C GLN A 63 -6.789 8.301 4.309 1.00 0.00 C ATOM 919 O GLN A 63 -7.233 7.716 5.298 1.00 0.00 O ATOM 920 CB GLN A 63 -4.582 9.427 4.653 1.00 0.00 C ATOM 921 CG GLN A 63 -4.669 9.399 6.171 1.00 0.00 C ATOM 922 CD GLN A 63 -5.903 10.103 6.698 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.615 10.775 5.951 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.165 9.952 7.991 1.00 0.00 N ATOM 0 H GLN A 63 -4.589 9.124 2.206 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.890 7.321 4.353 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.533 9.417 4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.007 10.363 4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.673 8.364 6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.780 9.870 6.591 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.548 9.386 8.574 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.983 10.402 8.401 1.00 0.00 H new ATOM 933 N LYS A 64 -7.556 8.997 3.477 1.00 0.00 N ATOM 934 CA LYS A 64 -8.995 9.116 3.680 1.00 0.00 C ATOM 935 C LYS A 64 -9.739 7.987 2.975 1.00 0.00 C ATOM 936 O LYS A 64 -10.840 7.611 3.378 1.00 0.00 O ATOM 937 CB LYS A 64 -9.493 10.469 3.167 1.00 0.00 C ATOM 938 CG LYS A 64 -9.591 10.546 1.653 1.00 0.00 C ATOM 939 CD LYS A 64 -10.916 9.997 1.151 1.00 0.00 C ATOM 940 CE LYS A 64 -10.765 9.332 -0.208 1.00 0.00 C ATOM 941 NZ LYS A 64 -11.976 9.519 -1.055 1.00 0.00 N ATOM 0 H LYS A 64 -7.205 9.488 2.655 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.193 9.045 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.474 10.673 3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.821 11.252 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.481 11.582 1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.771 9.985 1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.307 9.276 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.644 10.806 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.896 9.746 -0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.578 8.267 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.833 9.051 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.801 9.102 -0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.140 10.535 -1.206 1.00 0.00 H new ATOM 955 N ARG A 65 -9.131 7.451 1.922 1.00 0.00 N ATOM 956 CA ARG A 65 -9.737 6.364 1.162 1.00 0.00 C ATOM 957 C ARG A 65 -9.645 5.047 1.927 1.00 0.00 C ATOM 958 O ARG A 65 -10.656 4.395 2.184 1.00 0.00 O ATOM 959 CB ARG A 65 -9.054 6.224 -0.200 1.00 0.00 C ATOM 960 CG ARG A 65 -9.089 4.810 -0.756 1.00 0.00 C ATOM 961 CD ARG A 65 -10.510 4.369 -1.068 1.00 0.00 C ATOM 962 NE ARG A 65 -10.542 3.247 -2.003 1.00 0.00 N ATOM 963 CZ ARG A 65 -11.617 2.908 -2.706 1.00 0.00 C ATOM 964 NH1 ARG A 65 -12.741 3.599 -2.581 1.00 0.00 N ATOM 965 NH2 ARG A 65 -11.568 1.874 -3.537 1.00 0.00 N ATOM 0 H ARG A 65 -8.220 7.751 1.576 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.790 6.603 1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.536 6.896 -0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.016 6.545 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.484 4.759 -1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.644 4.124 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.013 4.085 -0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.066 5.207 -1.488 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.693 2.694 -2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.783 4.394 -1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.564 3.336 -3.122 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.705 1.340 -3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.394 1.614 -4.077 1.00 0.00 H new ATOM 979 N MET A 66 -8.425 4.663 2.288 1.00 0.00 N ATOM 980 CA MET A 66 -8.201 3.424 3.025 1.00 0.00 C ATOM 981 C MET A 66 -8.931 3.449 4.364 1.00 0.00 C ATOM 982 O MET A 66 -9.709 2.547 4.673 1.00 0.00 O ATOM 983 CB MET A 66 -6.704 3.204 3.251 1.00 0.00 C ATOM 984 CG MET A 66 -5.958 2.770 1.999 1.00 0.00 C ATOM 985 SD MET A 66 -4.242 2.329 2.332 1.00 0.00 S ATOM 986 CE MET A 66 -3.382 3.536 1.326 1.00 0.00 C ATOM 0 H MET A 66 -7.577 5.191 2.083 1.00 0.00 H new ATOM 0 HA MET A 66 -8.596 2.600 2.431 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.262 4.127 3.626 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.569 2.448 4.025 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.469 1.916 1.554 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.986 3.576 1.266 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.560 3.967 1.898 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.987 3.051 0.433 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.074 4.325 1.034 1.00 0.00 H new ATOM 996 N GLU A 67 -8.675 4.487 5.154 1.00 0.00 N ATOM 997 CA GLU A 67 -9.308 4.626 6.460 1.00 0.00 C ATOM 998 C GLU A 67 -10.767 4.184 6.408 1.00 0.00 C ATOM 999 O GLU A 67 -11.309 3.676 7.389 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.220 6.076 6.942 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.172 7.015 6.222 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.363 8.328 6.957 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -9.858 8.452 8.092 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.018 9.231 6.396 1.00 0.00 O ATOM 0 H GLU A 67 -8.034 5.243 4.913 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.777 3.984 7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.431 6.108 8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.199 6.434 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.791 7.215 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.139 6.525 6.103 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.398 4.381 5.255 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.795 4.004 5.073 1.00 0.00 C ATOM 1013 C ASN A 68 -12.909 2.685 4.315 1.00 0.00 C ATOM 1014 O ASN A 68 -13.913 1.982 4.421 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.549 5.103 4.322 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.611 6.400 5.106 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.128 7.437 4.651 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -14.209 6.347 6.291 1.00 0.00 N ATOM 0 H ASN A 68 -10.964 4.800 4.432 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.241 3.876 6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.063 5.284 3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.562 4.763 4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.282 7.188 6.864 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.595 5.465 6.628 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.871 2.357 3.551 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.855 1.122 2.775 1.00 0.00 C ATOM 1027 C GLU A 69 -11.793 -0.096 3.692 1.00 0.00 C ATOM 1028 O GLU A 69 -11.611 0.034 4.903 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.664 1.113 1.815 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.732 0.010 0.772 1.00 0.00 C ATOM 1031 CD GLU A 69 -12.124 -0.168 0.200 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.614 0.767 -0.469 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -12.725 -1.240 0.420 1.00 0.00 O ATOM 0 H GLU A 69 -11.032 2.928 3.453 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.778 1.073 2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.608 2.077 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.745 1.001 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.037 0.237 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.405 -0.928 1.219 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.945 -1.278 3.106 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.906 -2.521 3.869 1.00 0.00 C ATOM 1042 C ASP A 70 -10.951 -3.522 3.227 1.00 0.00 C ATOM 1043 O ASP A 70 -11.360 -4.355 2.417 1.00 0.00 O ATOM 1044 CB ASP A 70 -13.307 -3.126 3.971 1.00 0.00 C ATOM 1045 CG ASP A 70 -14.380 -2.073 4.169 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -14.112 -1.079 4.877 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -15.486 -2.242 3.616 1.00 0.00 O ATOM 0 H ASP A 70 -12.096 -1.402 2.105 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.544 -2.293 4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.521 -3.693 3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.336 -3.830 4.802 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.676 -3.435 3.593 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.663 -4.334 3.054 1.00 0.00 C ATOM 1054 C VAL A 71 -9.232 -5.730 2.825 1.00 0.00 C ATOM 1055 O VAL A 71 -9.008 -6.339 1.779 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.446 -4.435 3.992 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -7.882 -4.843 5.391 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.425 -5.417 3.436 1.00 0.00 C ATOM 0 H VAL A 71 -9.320 -2.751 4.261 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.343 -3.915 2.100 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.976 -3.454 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.008 -4.909 6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.573 -4.100 5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.377 -5.813 5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.572 -5.476 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.882 -6.402 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.089 -5.077 2.456 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.968 -6.232 3.811 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.570 -7.557 3.717 1.00 0.00 C ATOM 1070 C PHE A 72 -11.461 -7.836 4.924 1.00 0.00 C ATOM 1071 O PHE A 72 -10.972 -8.093 6.024 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.482 -8.628 3.614 1.00 0.00 C ATOM 1073 CG PHE A 72 -9.052 -8.911 2.203 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.991 -9.155 1.214 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.708 -8.934 1.865 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.599 -9.415 -0.086 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.310 -9.193 0.568 1.00 0.00 C ATOM 1078 CZ PHE A 72 -8.256 -9.436 -0.409 1.00 0.00 C ATOM 0 H PHE A 72 -10.162 -5.742 4.684 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.186 -7.586 2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.615 -8.311 4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.847 -9.550 4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -11.042 -9.142 1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.963 -8.747 2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.341 -9.601 -0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.259 -9.206 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.946 -9.642 -1.423 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.772 -7.783 4.710 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.711 -8.031 5.788 1.00 0.00 C ATOM 1090 C GLY A 73 -13.311 -7.339 7.076 1.00 0.00 C ATOM 1091 O GLY A 73 -13.734 -7.738 8.160 1.00 0.00 O ATOM 0 H GLY A 73 -13.201 -7.573 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.702 -7.690 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.783 -9.104 5.963 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.491 -6.299 6.957 1.00 0.00 N ATOM 1096 CA ASN A 74 -12.032 -5.551 8.122 1.00 0.00 C ATOM 1097 C ASN A 74 -11.510 -4.177 7.715 1.00 0.00 C ATOM 1098 O ASN A 74 -10.591 -4.066 6.902 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.937 -6.329 8.854 1.00 0.00 C ATOM 1100 CG ASN A 74 -10.127 -5.449 9.786 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -10.618 -5.010 10.826 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.879 -5.186 9.417 1.00 0.00 N ATOM 0 H ASN A 74 -12.131 -5.956 6.066 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.881 -5.413 8.792 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.391 -7.138 9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.272 -6.789 8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.287 -4.599 10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.513 -5.571 8.546 1.00 0.00 H new ATOM 1109 N ARG A 75 -12.101 -3.132 8.285 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.696 -1.765 7.981 1.00 0.00 C ATOM 1111 C ARG A 75 -10.271 -1.501 8.460 1.00 0.00 C ATOM 1112 O ARG A 75 -9.818 -2.086 9.443 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.657 -0.769 8.632 1.00 0.00 C ATOM 1114 CG ARG A 75 -13.830 -0.385 7.744 1.00 0.00 C ATOM 1115 CD ARG A 75 -14.727 0.641 8.420 1.00 0.00 C ATOM 1116 NE ARG A 75 -15.759 0.010 9.239 1.00 0.00 N ATOM 1117 CZ ARG A 75 -16.501 0.670 10.122 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -16.327 1.972 10.298 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -17.420 0.026 10.830 1.00 0.00 N ATOM 0 H ARG A 75 -12.862 -3.206 8.960 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.727 -1.635 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.039 -1.198 9.559 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.106 0.132 8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.458 0.019 6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.411 -1.275 7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.121 1.298 9.044 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.198 1.267 7.662 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.919 -0.991 9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.622 2.470 9.755 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.898 2.476 10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.557 -0.976 10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.989 0.533 11.508 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.571 -0.616 7.757 1.00 0.00 N ATOM 1134 CA ILE A 76 -8.199 -0.275 8.111 1.00 0.00 C ATOM 1135 C ILE A 76 -8.089 1.185 8.539 1.00 0.00 C ATOM 1136 O ILE A 76 -8.910 2.018 8.156 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.235 -0.529 6.937 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.744 0.164 5.672 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -7.071 -2.023 6.700 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.899 -0.114 4.448 1.00 0.00 C ATOM 0 H ILE A 76 -9.931 -0.123 6.940 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.919 -0.918 8.945 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.260 -0.112 7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.767 -0.158 5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.776 1.240 5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.387 -2.186 5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.668 -2.492 7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.040 -2.463 6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.319 0.409 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.881 0.234 4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.887 -1.186 4.250 1.00 0.00 H new ATOM 1152 N ILE A 77 -7.067 1.487 9.332 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.847 2.847 9.809 1.00 0.00 C ATOM 1154 C ILE A 77 -5.567 3.435 9.224 1.00 0.00 C ATOM 1155 O ILE A 77 -4.500 2.825 9.300 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.767 2.899 11.346 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -8.002 2.242 11.966 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.631 4.337 11.822 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.842 1.919 13.435 1.00 0.00 C ATOM 0 H ILE A 77 -6.378 0.809 9.658 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.700 3.439 9.478 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.884 2.346 11.667 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.858 2.905 11.839 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.226 1.324 11.423 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.576 4.356 12.910 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.724 4.774 11.405 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.496 4.913 11.492 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.756 1.456 13.807 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.007 1.232 13.567 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.648 2.837 13.990 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.681 4.625 8.643 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.532 5.297 8.047 1.00 0.00 C ATOM 1173 C VAL A 78 -4.239 6.615 8.755 1.00 0.00 C ATOM 1174 O VAL A 78 -5.126 7.452 8.924 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.757 5.571 6.548 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.449 5.955 5.873 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.379 4.358 5.873 1.00 0.00 C ATOM 0 H VAL A 78 -6.557 5.143 8.572 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.679 4.628 8.162 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.448 6.408 6.449 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.628 6.145 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.049 6.855 6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.732 5.141 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.531 4.569 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.714 3.501 5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.338 4.134 6.340 1.00 0.00 H new ATOM 1187 N SER A 79 -2.988 6.793 9.168 1.00 0.00 N ATOM 1188 CA SER A 79 -2.578 8.009 9.861 1.00 0.00 C ATOM 1189 C SER A 79 -1.231 8.502 9.342 1.00 0.00 C ATOM 1190 O SER A 79 -0.406 7.716 8.877 1.00 0.00 O ATOM 1191 CB SER A 79 -2.495 7.758 11.368 1.00 0.00 C ATOM 1192 OG SER A 79 -2.801 8.934 12.098 1.00 0.00 O ATOM 0 H SER A 79 -2.241 6.111 9.035 1.00 0.00 H new ATOM 0 HA SER A 79 -3.326 8.778 9.668 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.187 6.963 11.646 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.494 7.415 11.628 1.00 0.00 H new ATOM 0 HG SER A 79 -2.743 8.747 13.058 1.00 0.00 H new ATOM 1198 N PHE A 80 -1.016 9.811 9.424 1.00 0.00 N ATOM 1199 CA PHE A 80 0.229 10.412 8.961 1.00 0.00 C ATOM 1200 C PHE A 80 1.330 10.255 10.006 1.00 0.00 C ATOM 1201 O PHE A 80 2.517 10.258 9.681 1.00 0.00 O ATOM 1202 CB PHE A 80 0.019 11.894 8.644 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.501 12.142 7.257 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.615 11.464 6.789 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.124 13.054 6.421 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.095 11.690 5.512 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.352 13.285 5.144 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.463 12.602 4.690 1.00 0.00 C ATOM 0 H PHE A 80 -1.688 10.476 9.807 1.00 0.00 H new ATOM 0 HA PHE A 80 0.537 9.894 8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.679 12.316 9.366 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.965 12.422 8.769 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.114 10.751 7.429 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.993 13.591 6.772 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.963 11.154 5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.144 13.998 4.503 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.837 12.781 3.693 1.00 0.00 H new ATOM 1218 N THR A 81 0.926 10.119 11.266 1.00 0.00 N ATOM 1219 CA THR A 81 1.876 9.963 12.360 1.00 0.00 C ATOM 1220 C THR A 81 1.826 8.552 12.935 1.00 0.00 C ATOM 1221 O THR A 81 0.833 7.836 12.800 1.00 0.00 O ATOM 1222 CB THR A 81 1.604 10.975 13.489 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.193 11.157 13.655 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.260 12.314 13.185 1.00 0.00 C ATOM 0 H THR A 81 -0.053 10.114 11.553 1.00 0.00 H new ATOM 0 HA THR A 81 2.867 10.149 11.946 1.00 0.00 H new ATOM 0 HB THR A 81 2.030 10.580 14.411 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.029 11.800 14.376 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.054 13.012 13.996 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.337 12.178 13.088 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.859 12.712 12.253 1.00 0.00 H new ATOM 1232 N PRO A 82 2.919 8.141 13.594 1.00 0.00 N ATOM 1233 CA PRO A 82 3.023 6.813 14.204 1.00 0.00 C ATOM 1234 C PRO A 82 2.115 6.660 15.419 1.00 0.00 C ATOM 1235 O PRO A 82 1.697 7.648 16.023 1.00 0.00 O ATOM 1236 CB PRO A 82 4.494 6.728 14.622 1.00 0.00 C ATOM 1237 CG PRO A 82 4.918 8.145 14.803 1.00 0.00 C ATOM 1238 CD PRO A 82 4.139 8.942 13.794 1.00 0.00 C ATOM 0 HA PRO A 82 2.714 6.025 13.518 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.611 6.159 15.544 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.094 6.229 13.861 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.710 8.488 15.816 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.991 8.255 14.643 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.908 9.941 14.163 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.695 9.066 12.865 1.00 0.00 H new ATOM 1246 N LYS A 83 1.812 5.416 15.773 1.00 0.00 N ATOM 1247 CA LYS A 83 0.954 5.132 16.918 1.00 0.00 C ATOM 1248 C LYS A 83 1.781 4.953 18.186 1.00 0.00 C ATOM 1249 O LYS A 83 1.543 4.034 18.969 1.00 0.00 O ATOM 1250 CB LYS A 83 0.120 3.876 16.657 1.00 0.00 C ATOM 1251 CG LYS A 83 -0.755 3.972 15.420 1.00 0.00 C ATOM 1252 CD LYS A 83 -2.092 4.623 15.733 1.00 0.00 C ATOM 1253 CE LYS A 83 -3.065 3.630 16.350 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.111 4.310 17.164 1.00 0.00 N ATOM 0 H LYS A 83 2.148 4.587 15.283 1.00 0.00 H new ATOM 0 HA LYS A 83 0.285 5.981 17.059 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.789 3.021 16.553 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.512 3.683 17.524 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.239 4.549 14.652 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.921 2.975 15.012 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.940 5.458 16.417 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.521 5.034 14.819 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.541 3.049 15.560 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.517 2.927 16.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.754 3.599 17.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.659 4.844 17.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.651 4.962 16.560 1.00 0.00 H new