USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 729 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 67 ASN : amide:sc= 0.193 X(o=0.45,f=0.77) USER MOD Set 1.2: A 70 SER OG : rot 130:sc= 0.253 USER MOD Set 2.1: A 34 ASN : amide:sc= -4.39! C(o=-3.5!,f=-7!) USER MOD Set 2.2: A 37 SER OG : rot -45:sc= 0.929 USER MOD Single : A 9 HIS : no HE2:sc= -0.461 K(o=-0.46,f=-3.8!) USER MOD Single : A 11 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0.017) USER MOD Single : A 21 GLN : amide:sc= 0.132 K(o=0.13,f=-0.41) USER MOD Single : A 24 ASN : amide:sc= -2.58! C(o=-2.6!,f=-5.5!) USER MOD Single : A 26 HIS : no HD1:sc= -0.0614 X(o=-0.061,f=-0.52) USER MOD Single : A 29 TYR OH : rot -37:sc= 1.62 USER MOD Single : A 33 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.33) USER MOD Single : A 40 TYR OH : rot -155:sc= 0.35 USER MOD Single : A 42 HIS : no HE2:sc= 0.304 K(o=0.3,f=-1.1) USER MOD Single : A 45 MET CE :methyl -175:sc= -1.14 (180deg=-1.29) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= -0.0113 (180deg=-0.0898) USER MOD Single : A 55 SER OG : rot 34:sc= 0.201 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0748 USER MOD Single : A 73 THR OG1 : rot 86:sc= 0.663 USER MOD Single : A 77 GLN : amide:sc= -1.01 K(o=-1,f=-0.39) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.59) USER MOD Single : A 95 TYR OH : rot -17:sc= 1.06 USER MOD Single : A 98 MET CE :methyl -147:sc= -0.0823 (180deg=-0.454) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -4.675 9.340 -4.001 1.00 0.00 N ATOM 63 CA PHE A 5 -3.522 9.137 -3.101 1.00 0.00 C ATOM 64 C PHE A 5 -3.370 10.357 -2.175 1.00 0.00 C ATOM 65 O PHE A 5 -3.665 11.490 -2.567 1.00 0.00 O ATOM 66 CB PHE A 5 -2.211 8.879 -3.899 1.00 0.00 C ATOM 67 CG PHE A 5 -0.977 8.689 -3.002 1.00 0.00 C ATOM 68 CD1 PHE A 5 -0.792 7.507 -2.284 1.00 0.00 C ATOM 69 CD2 PHE A 5 -0.034 9.709 -2.844 1.00 0.00 C ATOM 70 CE1 PHE A 5 0.294 7.355 -1.445 1.00 0.00 C ATOM 71 CE2 PHE A 5 1.053 9.552 -2.009 1.00 0.00 C ATOM 72 CZ PHE A 5 1.214 8.378 -1.308 1.00 0.00 C ATOM 0 HA PHE A 5 -3.708 8.249 -2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.340 7.992 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.035 9.716 -4.574 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.506 6.703 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.159 10.636 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.425 6.435 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.776 10.348 -1.906 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.061 8.256 -0.649 1.00 0.00 H new ATOM 82 N GLU A 6 -2.904 10.091 -0.951 1.00 0.00 N ATOM 83 CA GLU A 6 -2.622 11.105 0.071 1.00 0.00 C ATOM 84 C GLU A 6 -1.514 10.561 1.002 1.00 0.00 C ATOM 85 O GLU A 6 -1.326 9.336 1.071 1.00 0.00 O ATOM 86 CB GLU A 6 -3.925 11.433 0.861 1.00 0.00 C ATOM 87 CG GLU A 6 -4.543 10.227 1.594 1.00 0.00 C ATOM 88 CD GLU A 6 -5.938 10.501 2.163 1.00 0.00 C ATOM 89 OE1 GLU A 6 -6.890 10.617 1.365 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.098 10.581 3.399 1.00 0.00 O ATOM 0 H GLU A 6 -2.707 9.141 -0.635 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.275 12.031 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.707 12.214 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.663 11.840 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.601 9.385 0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.881 9.929 2.407 1.00 0.00 H new ATOM 97 N PRO A 7 -0.727 11.446 1.695 1.00 0.00 N ATOM 98 CA PRO A 7 0.307 10.999 2.661 1.00 0.00 C ATOM 99 C PRO A 7 -0.311 10.227 3.859 1.00 0.00 C ATOM 100 O PRO A 7 -0.724 10.823 4.864 1.00 0.00 O ATOM 101 CB PRO A 7 0.990 12.323 3.097 1.00 0.00 C ATOM 102 CG PRO A 7 -0.020 13.394 2.806 1.00 0.00 C ATOM 103 CD PRO A 7 -0.753 12.933 1.571 1.00 0.00 C ATOM 0 HA PRO A 7 1.013 10.290 2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.251 12.303 4.155 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.914 12.491 2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.706 13.525 3.643 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.465 14.356 2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.773 13.317 1.541 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.259 13.270 0.660 1.00 0.00 H new ATOM 111 N GLY A 8 -0.407 8.896 3.705 1.00 0.00 N ATOM 112 CA GLY A 8 -0.923 8.007 4.745 1.00 0.00 C ATOM 113 C GLY A 8 -1.872 6.944 4.195 1.00 0.00 C ATOM 114 O GLY A 8 -1.976 5.851 4.764 1.00 0.00 O ATOM 0 H GLY A 8 -0.127 8.411 2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.088 7.518 5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.444 8.599 5.497 1.00 0.00 H new ATOM 118 N HIS A 9 -2.534 7.238 3.059 1.00 0.00 N ATOM 119 CA HIS A 9 -3.630 6.390 2.541 1.00 0.00 C ATOM 120 C HIS A 9 -3.727 6.460 0.999 1.00 0.00 C ATOM 121 O HIS A 9 -3.356 7.457 0.384 1.00 0.00 O ATOM 122 CB HIS A 9 -4.966 6.823 3.203 1.00 0.00 C ATOM 123 CG HIS A 9 -6.154 5.951 2.885 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.085 6.263 1.922 1.00 0.00 N ATOM 125 CD2 HIS A 9 -6.562 4.781 3.427 1.00 0.00 C ATOM 126 CE1 HIS A 9 -8.005 5.327 1.888 1.00 0.00 C ATOM 127 NE2 HIS A 9 -7.720 4.411 2.794 1.00 0.00 N ATOM 0 H HIS A 9 -2.331 8.054 2.482 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.419 5.352 2.796 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.828 6.841 4.284 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.192 7.844 2.894 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -7.064 7.092 1.327 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.065 4.236 4.216 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.858 5.310 1.225 1.00 0.00 H new ATOM 136 N LEU A 10 -4.222 5.368 0.397 1.00 0.00 N ATOM 137 CA LEU A 10 -4.468 5.245 -1.043 1.00 0.00 C ATOM 138 C LEU A 10 -5.854 4.600 -1.251 1.00 0.00 C ATOM 139 O LEU A 10 -6.069 3.435 -0.921 1.00 0.00 O ATOM 140 CB LEU A 10 -3.351 4.383 -1.712 1.00 0.00 C ATOM 141 CG LEU A 10 -3.555 4.016 -3.225 1.00 0.00 C ATOM 142 CD1 LEU A 10 -3.634 5.277 -4.119 1.00 0.00 C ATOM 143 CD2 LEU A 10 -2.448 3.048 -3.714 1.00 0.00 C ATOM 0 H LEU A 10 -4.468 4.524 0.915 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.451 6.230 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.406 4.917 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.252 3.456 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.513 3.504 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.775 4.978 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.473 5.896 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.709 5.846 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.612 2.809 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.473 3.521 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.479 2.132 -3.124 1.00 0.00 H new ATOM 155 N HIS A 11 -6.789 5.391 -1.773 1.00 0.00 N ATOM 156 CA HIS A 11 -8.113 4.917 -2.197 1.00 0.00 C ATOM 157 C HIS A 11 -8.076 4.701 -3.715 1.00 0.00 C ATOM 158 O HIS A 11 -7.653 5.583 -4.468 1.00 0.00 O ATOM 159 CB HIS A 11 -9.218 5.936 -1.814 1.00 0.00 C ATOM 160 CG HIS A 11 -10.628 5.524 -2.194 1.00 0.00 C ATOM 161 ND1 HIS A 11 -11.550 6.406 -2.710 1.00 0.00 N ATOM 162 CD2 HIS A 11 -11.273 4.328 -2.112 1.00 0.00 C ATOM 163 CE1 HIS A 11 -12.686 5.780 -2.925 1.00 0.00 C ATOM 164 NE2 HIS A 11 -12.550 4.518 -2.573 1.00 0.00 N ATOM 0 H HIS A 11 -6.651 6.391 -1.917 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.351 3.982 -1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.181 6.102 -0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.993 6.890 -2.291 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -10.855 3.400 -1.750 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -13.584 6.227 -3.325 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -13.274 3.802 -2.633 1.00 0.00 H new ATOM 173 N LEU A 12 -8.486 3.512 -4.160 1.00 0.00 N ATOM 174 CA LEU A 12 -8.551 3.166 -5.583 1.00 0.00 C ATOM 175 C LEU A 12 -9.979 2.786 -5.961 1.00 0.00 C ATOM 176 O LEU A 12 -10.649 2.033 -5.249 1.00 0.00 O ATOM 177 CB LEU A 12 -7.561 2.018 -5.979 1.00 0.00 C ATOM 178 CG LEU A 12 -7.471 0.771 -5.043 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.870 -0.450 -5.782 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.651 1.087 -3.772 1.00 0.00 C ATOM 0 H LEU A 12 -8.784 2.758 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.243 4.050 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.836 1.669 -6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.563 2.450 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.488 0.518 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.822 -1.300 -5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.498 -0.704 -6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.866 -0.207 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.605 0.201 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.641 1.384 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.128 1.900 -3.224 1.00 0.00 H new ATOM 192 N VAL A 13 -10.429 3.375 -7.070 1.00 0.00 N ATOM 193 CA VAL A 13 -11.636 2.979 -7.805 1.00 0.00 C ATOM 194 C VAL A 13 -11.235 2.815 -9.279 1.00 0.00 C ATOM 195 O VAL A 13 -10.152 3.286 -9.683 1.00 0.00 O ATOM 196 CB VAL A 13 -12.808 4.022 -7.644 1.00 0.00 C ATOM 197 CG1 VAL A 13 -13.332 4.054 -6.185 1.00 0.00 C ATOM 198 CG2 VAL A 13 -12.382 5.437 -8.115 1.00 0.00 C ATOM 0 H VAL A 13 -9.949 4.167 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.022 2.043 -7.400 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.625 3.696 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.139 4.782 -6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.704 3.067 -5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.521 4.336 -5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.215 6.129 -7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.534 5.778 -7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.097 5.400 -9.166 1.00 0.00 H new ATOM 307 N GLN A 21 -16.950 -1.330 -13.258 1.00 0.00 N ATOM 308 CA GLN A 21 -16.881 -2.320 -12.166 1.00 0.00 C ATOM 309 C GLN A 21 -16.742 -1.589 -10.823 1.00 0.00 C ATOM 310 O GLN A 21 -16.032 -0.579 -10.735 1.00 0.00 O ATOM 311 CB GLN A 21 -15.699 -3.296 -12.381 1.00 0.00 C ATOM 312 CG GLN A 21 -15.699 -4.526 -11.449 1.00 0.00 C ATOM 313 CD GLN A 21 -14.507 -5.459 -11.657 1.00 0.00 C ATOM 314 OE1 GLN A 21 -13.944 -5.535 -12.747 1.00 0.00 O ATOM 315 NE2 GLN A 21 -14.136 -6.203 -10.621 1.00 0.00 N ATOM 0 HA GLN A 21 -17.799 -2.907 -12.161 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -15.714 -3.641 -13.415 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.766 -2.751 -12.240 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.705 -4.185 -10.414 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.620 -5.088 -11.605 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.624 -6.116 -9.730 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.363 -6.861 -10.717 1.00 0.00 H new ATOM 324 N ASP A 22 -17.419 -2.106 -9.785 1.00 0.00 N ATOM 325 CA ASP A 22 -17.489 -1.459 -8.463 1.00 0.00 C ATOM 326 C ASP A 22 -16.311 -1.900 -7.586 1.00 0.00 C ATOM 327 O ASP A 22 -16.472 -2.597 -6.585 1.00 0.00 O ATOM 328 CB ASP A 22 -18.865 -1.761 -7.791 1.00 0.00 C ATOM 329 CG ASP A 22 -19.046 -1.094 -6.405 1.00 0.00 C ATOM 330 OD1 ASP A 22 -19.089 0.152 -6.347 1.00 0.00 O ATOM 331 OD2 ASP A 22 -19.118 -1.809 -5.376 1.00 0.00 O ATOM 0 H ASP A 22 -17.934 -2.985 -9.838 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.412 -0.379 -8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -19.663 -1.424 -8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.976 -2.840 -7.681 1.00 0.00 H new ATOM 336 N ILE A 23 -15.102 -1.513 -7.997 1.00 0.00 N ATOM 337 CA ILE A 23 -13.907 -1.730 -7.179 1.00 0.00 C ATOM 338 C ILE A 23 -13.718 -0.460 -6.349 1.00 0.00 C ATOM 339 O ILE A 23 -13.776 0.655 -6.880 1.00 0.00 O ATOM 340 CB ILE A 23 -12.620 -2.154 -8.025 1.00 0.00 C ATOM 341 CG1 ILE A 23 -11.678 -0.968 -8.462 1.00 0.00 C ATOM 342 CG2 ILE A 23 -13.048 -2.994 -9.255 1.00 0.00 C ATOM 343 CD1 ILE A 23 -10.581 -0.593 -7.462 1.00 0.00 C ATOM 0 H ILE A 23 -14.925 -1.049 -8.888 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.043 -2.589 -6.522 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.012 -2.751 -7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.207 -1.232 -9.409 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.294 -0.087 -8.646 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.165 -3.279 -9.826 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.568 -3.891 -8.920 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.713 -2.403 -9.885 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.992 0.233 -7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.036 -0.291 -6.519 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.933 -1.453 -7.293 1.00 0.00 H new ATOM 355 N ASN A 24 -13.606 -0.636 -5.044 1.00 0.00 N ATOM 356 CA ASN A 24 -13.375 0.459 -4.107 1.00 0.00 C ATOM 357 C ASN A 24 -12.625 -0.107 -2.901 1.00 0.00 C ATOM 358 O ASN A 24 -13.155 -0.907 -2.124 1.00 0.00 O ATOM 359 CB ASN A 24 -14.706 1.177 -3.725 1.00 0.00 C ATOM 360 CG ASN A 24 -15.779 0.259 -3.145 1.00 0.00 C ATOM 361 OD1 ASN A 24 -15.876 0.098 -1.929 1.00 0.00 O ATOM 362 ND2 ASN A 24 -16.580 -0.354 -4.011 1.00 0.00 N ATOM 0 H ASN A 24 -13.673 -1.550 -4.597 1.00 0.00 H new ATOM 0 HA ASN A 24 -12.763 1.235 -4.567 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.486 1.960 -3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.107 1.667 -4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.308 -0.985 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.467 -0.194 -5.012 1.00 0.00 H new ATOM 369 N ILE A 25 -11.349 0.286 -2.787 1.00 0.00 N ATOM 370 CA ILE A 25 -10.396 -0.333 -1.856 1.00 0.00 C ATOM 371 C ILE A 25 -9.658 0.765 -1.086 1.00 0.00 C ATOM 372 O ILE A 25 -9.256 1.785 -1.660 1.00 0.00 O ATOM 373 CB ILE A 25 -9.344 -1.252 -2.594 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.057 -2.266 -3.549 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.427 -1.986 -1.579 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.147 -3.233 -4.281 1.00 0.00 C ATOM 0 H ILE A 25 -10.948 1.044 -3.339 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.964 -0.967 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.710 -0.608 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.775 -2.843 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.626 -1.702 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.714 -2.610 -2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.887 -1.253 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.035 -2.611 -0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.746 -3.888 -4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.445 -2.674 -4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.595 -3.833 -3.557 1.00 0.00 H new ATOM 388 N HIS A 26 -9.495 0.530 0.212 1.00 0.00 N ATOM 389 CA HIS A 26 -8.746 1.385 1.122 1.00 0.00 C ATOM 390 C HIS A 26 -7.370 0.743 1.292 1.00 0.00 C ATOM 391 O HIS A 26 -7.310 -0.447 1.573 1.00 0.00 O ATOM 392 CB HIS A 26 -9.444 1.451 2.514 1.00 0.00 C ATOM 393 CG HIS A 26 -10.944 1.613 2.514 1.00 0.00 C ATOM 394 ND1 HIS A 26 -11.724 1.206 3.570 1.00 0.00 N ATOM 395 CD2 HIS A 26 -11.798 2.141 1.610 1.00 0.00 C ATOM 396 CE1 HIS A 26 -12.983 1.476 3.317 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.060 2.044 2.135 1.00 0.00 N ATOM 0 H HIS A 26 -9.894 -0.288 0.673 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.681 2.398 0.724 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.200 0.540 3.060 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.012 2.282 3.072 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.535 2.562 0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.816 1.266 3.971 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -13.918 2.361 1.683 1.00 0.00 H new ATOM 406 N ILE A 27 -6.287 1.497 1.102 1.00 0.00 N ATOM 407 CA ILE A 27 -4.926 1.011 1.387 1.00 0.00 C ATOM 408 C ILE A 27 -4.285 1.947 2.409 1.00 0.00 C ATOM 409 O ILE A 27 -3.988 3.102 2.108 1.00 0.00 O ATOM 410 CB ILE A 27 -4.022 0.893 0.094 1.00 0.00 C ATOM 411 CG1 ILE A 27 -4.623 -0.153 -0.904 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.551 0.528 0.458 1.00 0.00 C ATOM 413 CD1 ILE A 27 -3.809 -0.390 -2.172 1.00 0.00 C ATOM 0 H ILE A 27 -6.321 2.454 0.750 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.004 -0.001 1.785 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.008 1.868 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.737 -1.103 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.622 0.175 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.958 0.455 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.133 1.302 1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.532 -0.428 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.312 -1.131 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.716 0.545 -2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.817 -0.754 -1.905 1.00 0.00 H new ATOM 425 N ARG A 28 -4.109 1.445 3.626 1.00 0.00 N ATOM 426 CA ARG A 28 -3.346 2.130 4.664 1.00 0.00 C ATOM 427 C ARG A 28 -1.936 1.568 4.643 1.00 0.00 C ATOM 428 O ARG A 28 -1.759 0.351 4.737 1.00 0.00 O ATOM 429 CB ARG A 28 -3.975 1.916 6.062 1.00 0.00 C ATOM 430 CG ARG A 28 -5.300 2.659 6.287 1.00 0.00 C ATOM 431 CD ARG A 28 -5.840 2.469 7.715 1.00 0.00 C ATOM 432 NE ARG A 28 -4.850 2.875 8.734 1.00 0.00 N ATOM 433 CZ ARG A 28 -4.678 4.121 9.210 1.00 0.00 C ATOM 434 NH1 ARG A 28 -5.436 5.126 8.789 1.00 0.00 N ATOM 435 NH2 ARG A 28 -3.736 4.346 10.112 1.00 0.00 N ATOM 0 H ARG A 28 -4.493 0.548 3.922 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.345 3.202 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.142 0.849 6.212 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.261 2.236 6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.155 3.722 6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.040 2.303 5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.751 3.054 7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.109 1.424 7.866 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.244 2.146 9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.163 4.960 8.093 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.291 6.065 9.161 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.149 3.578 10.439 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.597 5.287 10.480 1.00 0.00 H new ATOM 449 N TYR A 29 -0.941 2.442 4.500 1.00 0.00 N ATOM 450 CA TYR A 29 0.460 2.059 4.655 1.00 0.00 C ATOM 451 C TYR A 29 0.964 2.750 5.929 1.00 0.00 C ATOM 452 O TYR A 29 0.914 3.980 6.048 1.00 0.00 O ATOM 453 CB TYR A 29 1.288 2.402 3.373 1.00 0.00 C ATOM 454 CG TYR A 29 1.331 3.879 2.936 1.00 0.00 C ATOM 455 CD1 TYR A 29 0.318 4.430 2.150 1.00 0.00 C ATOM 456 CD2 TYR A 29 2.397 4.716 3.301 1.00 0.00 C ATOM 457 CE1 TYR A 29 0.364 5.750 1.751 1.00 0.00 C ATOM 458 CE2 TYR A 29 2.440 6.037 2.902 1.00 0.00 C ATOM 459 CZ TYR A 29 1.425 6.545 2.131 1.00 0.00 C ATOM 460 OH TYR A 29 1.463 7.859 1.740 1.00 0.00 O ATOM 0 H TYR A 29 -1.082 3.427 4.275 1.00 0.00 H new ATOM 0 HA TYR A 29 0.577 0.981 4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.313 2.067 3.533 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.887 1.817 2.546 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.516 3.813 1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.199 4.319 3.906 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.429 6.160 1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.267 6.667 3.195 1.00 0.00 H new ATOM 0 HH TYR A 29 1.108 7.940 0.830 1.00 0.00 H new ATOM 470 N GLU A 30 1.352 1.931 6.920 1.00 0.00 N ATOM 471 CA GLU A 30 1.714 2.396 8.268 1.00 0.00 C ATOM 472 C GLU A 30 3.123 1.899 8.614 1.00 0.00 C ATOM 473 O GLU A 30 3.331 0.698 8.794 1.00 0.00 O ATOM 474 CB GLU A 30 0.672 1.830 9.279 1.00 0.00 C ATOM 475 CG GLU A 30 -0.803 2.134 8.922 1.00 0.00 C ATOM 476 CD GLU A 30 -1.809 1.369 9.789 1.00 0.00 C ATOM 477 OE1 GLU A 30 -2.164 1.858 10.887 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.241 0.269 9.387 1.00 0.00 O ATOM 0 H GLU A 30 1.424 0.920 6.807 1.00 0.00 H new ATOM 0 HA GLU A 30 1.710 3.485 8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.801 0.750 9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.885 2.239 10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.982 3.204 9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.974 1.885 7.875 1.00 0.00 H new ATOM 485 N VAL A 31 4.077 2.833 8.720 1.00 0.00 N ATOM 486 CA VAL A 31 5.482 2.507 9.013 1.00 0.00 C ATOM 487 C VAL A 31 5.659 2.156 10.500 1.00 0.00 C ATOM 488 O VAL A 31 5.243 2.910 11.385 1.00 0.00 O ATOM 489 CB VAL A 31 6.444 3.681 8.607 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.936 3.329 8.867 1.00 0.00 C ATOM 491 CG2 VAL A 31 6.225 4.060 7.125 1.00 0.00 C ATOM 0 H VAL A 31 3.900 3.831 8.606 1.00 0.00 H new ATOM 0 HA VAL A 31 5.749 1.636 8.414 1.00 0.00 H new ATOM 0 HB VAL A 31 6.202 4.538 9.235 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.565 4.169 8.572 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.082 3.122 9.927 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.209 2.449 8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.897 4.875 6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.431 3.195 6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.193 4.378 6.979 1.00 0.00 H new ATOM 501 N ARG A 32 6.252 0.989 10.742 1.00 0.00 N ATOM 502 CA ARG A 32 6.582 0.481 12.079 1.00 0.00 C ATOM 503 C ARG A 32 7.916 -0.273 11.954 1.00 0.00 C ATOM 504 O ARG A 32 8.276 -0.707 10.860 1.00 0.00 O ATOM 505 CB ARG A 32 5.403 -0.408 12.584 1.00 0.00 C ATOM 506 CG ARG A 32 5.460 -0.901 14.064 1.00 0.00 C ATOM 507 CD ARG A 32 6.180 -2.250 14.217 1.00 0.00 C ATOM 508 NE ARG A 32 6.142 -2.786 15.585 1.00 0.00 N ATOM 509 CZ ARG A 32 6.461 -4.052 15.920 1.00 0.00 C ATOM 510 NH1 ARG A 32 6.861 -4.930 14.999 1.00 0.00 N ATOM 511 NH2 ARG A 32 6.382 -4.427 17.181 1.00 0.00 N ATOM 0 H ARG A 32 6.525 0.350 9.995 1.00 0.00 H new ATOM 0 HA ARG A 32 6.707 1.271 12.819 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.477 0.152 12.451 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.341 -1.284 11.939 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.968 -0.152 14.672 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.445 -0.990 14.451 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.726 -2.973 13.540 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.219 -2.134 13.910 1.00 0.00 H new ATOM 0 HE ARG A 32 5.854 -2.156 16.333 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.930 -4.648 14.021 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.098 -5.884 15.272 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.082 -3.761 17.893 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.621 -5.383 17.445 1.00 0.00 H new ATOM 525 N GLN A 33 8.671 -0.378 13.048 1.00 0.00 N ATOM 526 CA GLN A 33 10.000 -1.018 13.041 1.00 0.00 C ATOM 527 C GLN A 33 9.913 -2.484 13.507 1.00 0.00 C ATOM 528 O GLN A 33 9.385 -2.774 14.581 1.00 0.00 O ATOM 529 CB GLN A 33 10.998 -0.226 13.929 1.00 0.00 C ATOM 530 CG GLN A 33 11.100 1.281 13.617 1.00 0.00 C ATOM 531 CD GLN A 33 11.509 1.582 12.177 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.689 1.632 11.856 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.537 1.814 11.304 1.00 0.00 N ATOM 0 H GLN A 33 8.387 -0.026 13.962 1.00 0.00 H new ATOM 0 HA GLN A 33 10.368 -1.009 12.015 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.706 -0.346 14.972 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.987 -0.671 13.822 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.137 1.751 13.818 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.824 1.735 14.294 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.562 1.765 11.601 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.764 2.041 10.336 1.00 0.00 H new ATOM 542 N ASN A 34 10.430 -3.395 12.671 1.00 0.00 N ATOM 543 CA ASN A 34 10.573 -4.827 12.979 1.00 0.00 C ATOM 544 C ASN A 34 12.029 -5.112 13.393 1.00 0.00 C ATOM 545 O ASN A 34 12.960 -4.484 12.882 1.00 0.00 O ATOM 546 CB ASN A 34 10.174 -5.693 11.745 1.00 0.00 C ATOM 547 CG ASN A 34 11.078 -5.510 10.517 1.00 0.00 C ATOM 548 OD1 ASN A 34 11.813 -6.399 10.152 1.00 0.00 O ATOM 549 ND2 ASN A 34 11.047 -4.358 9.879 1.00 0.00 N ATOM 0 H ASN A 34 10.769 -3.152 11.740 1.00 0.00 H new ATOM 0 HA ASN A 34 9.907 -5.089 13.802 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.186 -6.743 12.036 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.149 -5.452 11.464 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.647 -4.208 9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.423 -3.616 10.196 1.00 0.00 H new ATOM 556 N ALA A 35 12.218 -6.076 14.305 1.00 0.00 N ATOM 557 CA ALA A 35 13.557 -6.453 14.813 1.00 0.00 C ATOM 558 C ALA A 35 14.396 -7.215 13.750 1.00 0.00 C ATOM 559 O ALA A 35 15.605 -7.412 13.930 1.00 0.00 O ATOM 560 CB ALA A 35 13.406 -7.275 16.102 1.00 0.00 C ATOM 0 H ALA A 35 11.456 -6.617 14.713 1.00 0.00 H new ATOM 0 HA ALA A 35 14.106 -5.538 15.036 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.392 -7.552 16.475 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.888 -6.680 16.854 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.831 -8.177 15.893 1.00 0.00 H new ATOM 566 N GLU A 36 13.741 -7.618 12.649 1.00 0.00 N ATOM 567 CA GLU A 36 14.355 -8.396 11.558 1.00 0.00 C ATOM 568 C GLU A 36 15.256 -7.521 10.659 1.00 0.00 C ATOM 569 O GLU A 36 16.445 -7.813 10.487 1.00 0.00 O ATOM 570 CB GLU A 36 13.217 -9.044 10.717 1.00 0.00 C ATOM 571 CG GLU A 36 13.639 -9.704 9.389 1.00 0.00 C ATOM 572 CD GLU A 36 12.453 -9.910 8.437 1.00 0.00 C ATOM 573 OE1 GLU A 36 11.773 -10.952 8.520 1.00 0.00 O ATOM 574 OE2 GLU A 36 12.171 -9.008 7.617 1.00 0.00 O ATOM 0 H GLU A 36 12.755 -7.410 12.488 1.00 0.00 H new ATOM 0 HA GLU A 36 14.995 -9.165 11.991 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.724 -9.797 11.332 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.475 -8.277 10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.390 -9.084 8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.106 -10.667 9.597 1.00 0.00 H new ATOM 581 N SER A 37 14.684 -6.438 10.120 1.00 0.00 N ATOM 582 CA SER A 37 15.307 -5.642 9.042 1.00 0.00 C ATOM 583 C SER A 37 15.311 -4.142 9.356 1.00 0.00 C ATOM 584 O SER A 37 15.771 -3.333 8.550 1.00 0.00 O ATOM 585 CB SER A 37 14.546 -5.916 7.731 1.00 0.00 C ATOM 586 OG SER A 37 13.155 -5.667 7.869 1.00 0.00 O ATOM 0 H SER A 37 13.774 -6.084 10.416 1.00 0.00 H new ATOM 0 HA SER A 37 16.351 -5.942 8.947 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.951 -5.288 6.937 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.702 -6.952 7.429 1.00 0.00 H new ATOM 0 HG SER A 37 12.833 -6.065 8.705 1.00 0.00 H new ATOM 592 N GLY A 38 14.807 -3.794 10.534 1.00 0.00 N ATOM 593 CA GLY A 38 14.700 -2.398 10.968 1.00 0.00 C ATOM 594 C GLY A 38 13.342 -1.822 10.615 1.00 0.00 C ATOM 595 O GLY A 38 12.364 -2.159 11.249 1.00 0.00 O ATOM 0 H GLY A 38 14.460 -4.467 11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.857 -2.335 12.045 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.484 -1.806 10.496 1.00 0.00 H new ATOM 599 N ALA A 39 13.278 -0.953 9.602 1.00 0.00 N ATOM 600 CA ALA A 39 12.001 -0.406 9.108 1.00 0.00 C ATOM 601 C ALA A 39 11.216 -1.441 8.273 1.00 0.00 C ATOM 602 O ALA A 39 11.801 -2.298 7.600 1.00 0.00 O ATOM 603 CB ALA A 39 12.240 0.885 8.299 1.00 0.00 C ATOM 0 H ALA A 39 14.098 -0.609 9.103 1.00 0.00 H new ATOM 0 HA ALA A 39 11.390 -0.163 9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.286 1.273 7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.720 1.629 8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.883 0.666 7.447 1.00 0.00 H new ATOM 609 N TYR A 40 9.884 -1.359 8.369 1.00 0.00 N ATOM 610 CA TYR A 40 8.945 -2.028 7.445 1.00 0.00 C ATOM 611 C TYR A 40 7.651 -1.216 7.416 1.00 0.00 C ATOM 612 O TYR A 40 7.492 -0.248 8.178 1.00 0.00 O ATOM 613 CB TYR A 40 8.664 -3.530 7.817 1.00 0.00 C ATOM 614 CG TYR A 40 7.557 -3.797 8.864 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.789 -3.598 10.219 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.280 -4.258 8.490 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.810 -3.829 11.158 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.301 -4.487 9.433 1.00 0.00 C ATOM 619 CZ TYR A 40 5.569 -4.276 10.765 1.00 0.00 C ATOM 620 OH TYR A 40 4.591 -4.509 11.711 1.00 0.00 O ATOM 0 H TYR A 40 9.416 -0.820 9.098 1.00 0.00 H new ATOM 0 HA TYR A 40 9.403 -2.062 6.456 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.402 -4.062 6.903 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.592 -3.967 8.185 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.760 -3.254 10.543 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.064 -4.435 7.447 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.016 -3.659 12.205 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.325 -4.832 9.126 1.00 0.00 H new ATOM 0 HH TYR A 40 3.948 -5.162 11.363 1.00 0.00 H new ATOM 630 N VAL A 41 6.724 -1.595 6.528 1.00 0.00 N ATOM 631 CA VAL A 41 5.406 -0.957 6.443 1.00 0.00 C ATOM 632 C VAL A 41 4.307 -2.033 6.479 1.00 0.00 C ATOM 633 O VAL A 41 4.380 -3.041 5.760 1.00 0.00 O ATOM 634 CB VAL A 41 5.258 -0.087 5.146 1.00 0.00 C ATOM 635 CG1 VAL A 41 3.943 0.715 5.157 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.458 0.856 4.944 1.00 0.00 C ATOM 0 H VAL A 41 6.865 -2.347 5.853 1.00 0.00 H new ATOM 0 HA VAL A 41 5.303 -0.291 7.300 1.00 0.00 H new ATOM 0 HB VAL A 41 5.234 -0.780 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.870 1.307 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.098 0.028 5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.928 1.378 6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.313 1.439 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.540 1.529 5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.372 0.268 4.857 1.00 0.00 H new ATOM 646 N HIS A 42 3.317 -1.812 7.347 1.00 0.00 N ATOM 647 CA HIS A 42 2.117 -2.643 7.456 1.00 0.00 C ATOM 648 C HIS A 42 1.059 -2.084 6.489 1.00 0.00 C ATOM 649 O HIS A 42 0.552 -0.975 6.693 1.00 0.00 O ATOM 650 CB HIS A 42 1.605 -2.627 8.926 1.00 0.00 C ATOM 651 CG HIS A 42 0.423 -3.533 9.207 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.526 -4.676 9.969 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.883 -3.462 8.832 1.00 0.00 C ATOM 654 CE1 HIS A 42 -0.646 -5.264 10.044 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.515 -4.555 9.362 1.00 0.00 N ATOM 0 H HIS A 42 3.328 -1.034 8.007 1.00 0.00 H new ATOM 0 HA HIS A 42 2.333 -3.678 7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.426 -2.913 9.583 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.329 -1.605 9.187 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.382 -5.014 10.408 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.336 -2.689 8.229 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.859 -6.178 10.578 1.00 0.00 H new ATOM 664 N PHE A 43 0.761 -2.837 5.425 1.00 0.00 N ATOM 665 CA PHE A 43 -0.251 -2.462 4.422 1.00 0.00 C ATOM 666 C PHE A 43 -1.578 -3.155 4.761 1.00 0.00 C ATOM 667 O PHE A 43 -1.586 -4.325 5.160 1.00 0.00 O ATOM 668 CB PHE A 43 0.228 -2.856 3.005 1.00 0.00 C ATOM 669 CG PHE A 43 1.615 -2.311 2.663 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.776 -1.004 2.221 1.00 0.00 C ATOM 671 CD2 PHE A 43 2.757 -3.106 2.797 1.00 0.00 C ATOM 672 CE1 PHE A 43 3.029 -0.508 1.918 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.006 -2.607 2.493 1.00 0.00 C ATOM 674 CZ PHE A 43 4.143 -1.310 2.054 1.00 0.00 C ATOM 0 H PHE A 43 1.216 -3.729 5.231 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.399 -1.382 4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.242 -3.943 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.490 -2.490 2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.910 -0.367 2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.660 -4.124 3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.137 0.510 1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.878 -3.235 2.600 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.122 -0.920 1.816 1.00 0.00 H new ATOM 684 N ASP A 44 -2.690 -2.429 4.608 1.00 0.00 N ATOM 685 CA ASP A 44 -4.033 -2.925 4.947 1.00 0.00 C ATOM 686 C ASP A 44 -5.015 -2.570 3.823 1.00 0.00 C ATOM 687 O ASP A 44 -5.093 -1.414 3.426 1.00 0.00 O ATOM 688 CB ASP A 44 -4.486 -2.309 6.292 1.00 0.00 C ATOM 689 CG ASP A 44 -5.880 -2.785 6.729 1.00 0.00 C ATOM 690 OD1 ASP A 44 -6.016 -3.963 7.121 1.00 0.00 O ATOM 691 OD2 ASP A 44 -6.844 -1.992 6.690 1.00 0.00 O ATOM 0 H ASP A 44 -2.687 -1.476 4.244 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.011 -4.010 5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.762 -2.565 7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.489 -1.222 6.205 1.00 0.00 H new ATOM 696 N MET A 45 -5.756 -3.577 3.323 1.00 0.00 N ATOM 697 CA MET A 45 -6.709 -3.423 2.202 1.00 0.00 C ATOM 698 C MET A 45 -8.110 -3.894 2.630 1.00 0.00 C ATOM 699 O MET A 45 -8.259 -4.988 3.160 1.00 0.00 O ATOM 700 CB MET A 45 -6.232 -4.239 0.962 1.00 0.00 C ATOM 701 CG MET A 45 -4.860 -3.829 0.407 1.00 0.00 C ATOM 702 SD MET A 45 -4.361 -4.794 -1.039 1.00 0.00 S ATOM 703 CE MET A 45 -5.677 -4.441 -2.209 1.00 0.00 C ATOM 0 H MET A 45 -5.711 -4.529 3.687 1.00 0.00 H new ATOM 0 HA MET A 45 -6.754 -2.368 1.930 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.198 -5.295 1.231 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.974 -4.136 0.170 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.884 -2.772 0.140 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.110 -3.944 1.189 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.537 -5.043 -3.107 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.639 -4.682 -1.758 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.655 -3.384 -2.474 1.00 0.00 H new ATOM 713 N ASP A 46 -9.141 -3.083 2.370 1.00 0.00 N ATOM 714 CA ASP A 46 -10.537 -3.443 2.700 1.00 0.00 C ATOM 715 C ASP A 46 -11.506 -2.579 1.889 1.00 0.00 C ATOM 716 O ASP A 46 -11.122 -1.534 1.366 1.00 0.00 O ATOM 717 CB ASP A 46 -10.823 -3.291 4.224 1.00 0.00 C ATOM 718 CG ASP A 46 -10.966 -1.828 4.681 1.00 0.00 C ATOM 719 OD1 ASP A 46 -9.946 -1.113 4.754 1.00 0.00 O ATOM 720 OD2 ASP A 46 -12.109 -1.376 4.934 1.00 0.00 O ATOM 0 H ASP A 46 -9.041 -2.168 1.930 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.684 -4.491 2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.738 -3.831 4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.016 -3.761 4.785 1.00 0.00 H new ATOM 725 N GLY A 47 -12.761 -3.019 1.795 1.00 0.00 N ATOM 726 CA GLY A 47 -13.797 -2.279 1.075 1.00 0.00 C ATOM 727 C GLY A 47 -14.815 -3.224 0.495 1.00 0.00 C ATOM 728 O GLY A 47 -15.322 -4.089 1.213 1.00 0.00 O ATOM 0 H GLY A 47 -13.086 -3.891 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.287 -1.578 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.344 -1.690 0.278 1.00 0.00 H new ATOM 732 N GLU A 48 -15.086 -3.091 -0.810 1.00 0.00 N ATOM 733 CA GLU A 48 -15.987 -3.992 -1.540 1.00 0.00 C ATOM 734 C GLU A 48 -15.654 -3.964 -3.028 1.00 0.00 C ATOM 735 O GLU A 48 -14.958 -3.050 -3.500 1.00 0.00 O ATOM 736 CB GLU A 48 -17.482 -3.682 -1.240 1.00 0.00 C ATOM 737 CG GLU A 48 -17.953 -2.252 -1.544 1.00 0.00 C ATOM 738 CD GLU A 48 -19.337 -1.943 -0.961 1.00 0.00 C ATOM 739 OE1 GLU A 48 -19.418 -1.522 0.217 1.00 0.00 O ATOM 740 OE2 GLU A 48 -20.348 -2.124 -1.662 1.00 0.00 O ATOM 0 H GLU A 48 -14.686 -2.354 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.829 -5.012 -1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.097 -4.375 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.670 -3.888 -0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.229 -1.543 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.978 -2.105 -2.624 1.00 0.00 H new ATOM 747 N ILE A 49 -16.179 -4.950 -3.785 1.00 0.00 N ATOM 748 CA ILE A 49 -15.654 -5.309 -5.119 1.00 0.00 C ATOM 749 C ILE A 49 -16.859 -5.972 -5.812 1.00 0.00 C ATOM 750 O ILE A 49 -17.211 -7.110 -5.453 1.00 0.00 O ATOM 751 CB ILE A 49 -14.405 -6.289 -5.128 1.00 0.00 C ATOM 752 CG1 ILE A 49 -13.156 -5.660 -4.418 1.00 0.00 C ATOM 753 CG2 ILE A 49 -14.044 -6.693 -6.586 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.959 -6.586 -4.271 1.00 0.00 C ATOM 0 H ILE A 49 -16.974 -5.517 -3.491 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.266 -4.419 -5.614 1.00 0.00 H new ATOM 0 HB ILE A 49 -14.689 -7.179 -4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.846 -4.778 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.455 -5.319 -3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.186 -7.365 -6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.894 -7.198 -7.045 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.799 -5.800 -7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.149 -6.057 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.244 -7.458 -3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.625 -6.908 -5.257 1.00 0.00 H new ATOM 766 N ASP A 50 -17.518 -5.245 -6.739 1.00 0.00 N ATOM 767 CA ASP A 50 -18.838 -5.628 -7.300 1.00 0.00 C ATOM 768 C ASP A 50 -19.892 -5.712 -6.170 1.00 0.00 C ATOM 769 O ASP A 50 -20.788 -6.565 -6.186 1.00 0.00 O ATOM 770 CB ASP A 50 -18.758 -6.951 -8.121 1.00 0.00 C ATOM 771 CG ASP A 50 -17.835 -6.833 -9.344 1.00 0.00 C ATOM 772 OD1 ASP A 50 -16.600 -6.950 -9.182 1.00 0.00 O ATOM 773 OD2 ASP A 50 -18.342 -6.624 -10.468 1.00 0.00 O ATOM 0 H ASP A 50 -17.152 -4.374 -7.122 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.150 -4.852 -7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.400 -7.753 -7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -19.759 -7.230 -8.451 1.00 0.00 H new ATOM 778 N GLY A 51 -19.774 -4.780 -5.200 1.00 0.00 N ATOM 779 CA GLY A 51 -20.643 -4.738 -4.016 1.00 0.00 C ATOM 780 C GLY A 51 -20.245 -5.683 -2.881 1.00 0.00 C ATOM 781 O GLY A 51 -20.645 -5.464 -1.732 1.00 0.00 O ATOM 0 H GLY A 51 -19.073 -4.039 -5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.656 -3.718 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.661 -4.975 -4.324 1.00 0.00 H new ATOM 785 N LYS A 52 -19.463 -6.736 -3.190 1.00 0.00 N ATOM 786 CA LYS A 52 -19.092 -7.784 -2.220 1.00 0.00 C ATOM 787 C LYS A 52 -17.941 -7.306 -1.309 1.00 0.00 C ATOM 788 O LYS A 52 -16.877 -6.976 -1.818 1.00 0.00 O ATOM 789 CB LYS A 52 -18.680 -9.069 -2.985 1.00 0.00 C ATOM 790 CG LYS A 52 -19.827 -9.699 -3.806 1.00 0.00 C ATOM 791 CD LYS A 52 -19.409 -11.006 -4.512 1.00 0.00 C ATOM 792 CE LYS A 52 -20.570 -11.669 -5.264 1.00 0.00 C ATOM 793 NZ LYS A 52 -21.166 -10.766 -6.278 1.00 0.00 N ATOM 0 H LYS A 52 -19.071 -6.884 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.952 -8.001 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.853 -8.833 -3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -18.311 -9.804 -2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -20.671 -9.901 -3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -20.170 -8.982 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.602 -10.794 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.015 -11.703 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.214 -12.576 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -21.338 -11.970 -4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -21.853 -11.295 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.648 -9.978 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.416 -10.391 -6.893 1.00 0.00 H new ATOM 807 N PRO A 53 -18.142 -7.250 0.050 1.00 0.00 N ATOM 808 CA PRO A 53 -17.114 -6.738 1.004 1.00 0.00 C ATOM 809 C PRO A 53 -15.921 -7.708 1.197 1.00 0.00 C ATOM 810 O PRO A 53 -16.051 -8.912 0.950 1.00 0.00 O ATOM 811 CB PRO A 53 -17.928 -6.559 2.310 1.00 0.00 C ATOM 812 CG PRO A 53 -18.996 -7.607 2.228 1.00 0.00 C ATOM 813 CD PRO A 53 -19.382 -7.676 0.765 1.00 0.00 C ATOM 0 HA PRO A 53 -16.638 -5.823 0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -17.302 -6.698 3.191 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -18.356 -5.559 2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -18.629 -8.570 2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.853 -7.344 2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -19.684 -8.683 0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -20.220 -7.016 0.541 1.00 0.00 H new ATOM 821 N PHE A 54 -14.755 -7.173 1.631 1.00 0.00 N ATOM 822 CA PHE A 54 -13.566 -8.001 1.961 1.00 0.00 C ATOM 823 C PHE A 54 -12.650 -7.286 2.976 1.00 0.00 C ATOM 824 O PHE A 54 -12.732 -6.062 3.153 1.00 0.00 O ATOM 825 CB PHE A 54 -12.745 -8.362 0.679 1.00 0.00 C ATOM 826 CG PHE A 54 -11.874 -7.228 0.102 1.00 0.00 C ATOM 827 CD1 PHE A 54 -12.449 -6.063 -0.413 1.00 0.00 C ATOM 828 CD2 PHE A 54 -10.478 -7.337 0.079 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.662 -5.050 -0.927 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.694 -6.323 -0.436 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.286 -5.181 -0.938 1.00 0.00 C ATOM 0 H PHE A 54 -14.611 -6.172 1.761 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.937 -8.923 2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.100 -9.209 0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.439 -8.691 -0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.523 -5.953 -0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -10.007 -8.227 0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.122 -4.156 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.619 -6.423 -0.446 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.673 -4.388 -1.340 1.00 0.00 H new ATOM 841 N SER A 55 -11.780 -8.078 3.624 1.00 0.00 N ATOM 842 CA SER A 55 -10.683 -7.581 4.469 1.00 0.00 C ATOM 843 C SER A 55 -9.437 -8.473 4.271 1.00 0.00 C ATOM 844 O SER A 55 -9.480 -9.676 4.558 1.00 0.00 O ATOM 845 CB SER A 55 -11.131 -7.552 5.950 1.00 0.00 C ATOM 846 OG SER A 55 -11.636 -8.815 6.370 1.00 0.00 O ATOM 0 H SER A 55 -11.820 -9.096 3.574 1.00 0.00 H new ATOM 0 HA SER A 55 -10.423 -6.563 4.180 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.288 -7.269 6.580 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.899 -6.790 6.084 1.00 0.00 H new ATOM 0 HG SER A 55 -11.147 -9.531 5.913 1.00 0.00 H new ATOM 852 N ASP A 56 -8.355 -7.883 3.739 1.00 0.00 N ATOM 853 CA ASP A 56 -7.069 -8.574 3.484 1.00 0.00 C ATOM 854 C ASP A 56 -5.911 -7.587 3.748 1.00 0.00 C ATOM 855 O ASP A 56 -6.035 -6.414 3.442 1.00 0.00 O ATOM 856 CB ASP A 56 -7.038 -9.078 2.010 1.00 0.00 C ATOM 857 CG ASP A 56 -5.905 -10.085 1.718 1.00 0.00 C ATOM 858 OD1 ASP A 56 -4.731 -9.679 1.607 1.00 0.00 O ATOM 859 OD2 ASP A 56 -6.189 -11.295 1.582 1.00 0.00 O ATOM 0 H ASP A 56 -8.343 -6.900 3.468 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.961 -9.433 4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.995 -9.544 1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.930 -8.221 1.345 1.00 0.00 H new ATOM 864 N SER A 57 -4.780 -8.060 4.283 1.00 0.00 N ATOM 865 CA SER A 57 -3.634 -7.187 4.629 1.00 0.00 C ATOM 866 C SER A 57 -2.306 -7.939 4.458 1.00 0.00 C ATOM 867 O SER A 57 -2.250 -9.160 4.621 1.00 0.00 O ATOM 868 CB SER A 57 -3.789 -6.648 6.073 1.00 0.00 C ATOM 869 OG SER A 57 -3.916 -7.702 7.011 1.00 0.00 O ATOM 0 H SER A 57 -4.626 -9.047 4.490 1.00 0.00 H new ATOM 0 HA SER A 57 -3.624 -6.337 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.925 -6.035 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.665 -6.002 6.129 1.00 0.00 H new ATOM 0 HG SER A 57 -4.010 -7.328 7.912 1.00 0.00 H new ATOM 875 N PHE A 58 -1.240 -7.191 4.115 1.00 0.00 N ATOM 876 CA PHE A 58 0.113 -7.744 3.911 1.00 0.00 C ATOM 877 C PHE A 58 1.179 -6.782 4.463 1.00 0.00 C ATOM 878 O PHE A 58 0.963 -5.577 4.505 1.00 0.00 O ATOM 879 CB PHE A 58 0.355 -8.045 2.404 1.00 0.00 C ATOM 880 CG PHE A 58 0.266 -6.837 1.457 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.968 -6.367 1.002 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.418 -6.182 1.017 1.00 0.00 C ATOM 883 CE1 PHE A 58 -1.044 -5.285 0.143 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.340 -5.104 0.159 1.00 0.00 C ATOM 885 CZ PHE A 58 0.111 -4.654 -0.277 1.00 0.00 C ATOM 0 H PHE A 58 -1.293 -6.183 3.971 1.00 0.00 H new ATOM 0 HA PHE A 58 0.192 -8.682 4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.342 -8.495 2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.372 -8.790 2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.876 -6.855 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.385 -6.524 1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.006 -4.934 -0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.243 -4.612 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.052 -3.809 -0.947 1.00 0.00 H new ATOM 895 N GLU A 59 2.326 -7.326 4.896 1.00 0.00 N ATOM 896 CA GLU A 59 3.450 -6.535 5.448 1.00 0.00 C ATOM 897 C GLU A 59 4.726 -6.806 4.638 1.00 0.00 C ATOM 898 O GLU A 59 5.060 -7.968 4.372 1.00 0.00 O ATOM 899 CB GLU A 59 3.679 -6.898 6.940 1.00 0.00 C ATOM 900 CG GLU A 59 2.472 -6.628 7.853 1.00 0.00 C ATOM 901 CD GLU A 59 2.620 -7.244 9.257 1.00 0.00 C ATOM 902 OE1 GLU A 59 2.518 -8.483 9.384 1.00 0.00 O ATOM 903 OE2 GLU A 59 2.835 -6.499 10.236 1.00 0.00 O ATOM 0 H GLU A 59 2.507 -8.330 4.876 1.00 0.00 H new ATOM 0 HA GLU A 59 3.204 -5.475 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.941 -7.954 7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.534 -6.333 7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.332 -5.551 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.573 -7.026 7.382 1.00 0.00 H new ATOM 910 N LEU A 60 5.436 -5.732 4.253 1.00 0.00 N ATOM 911 CA LEU A 60 6.701 -5.823 3.497 1.00 0.00 C ATOM 912 C LEU A 60 7.794 -5.010 4.211 1.00 0.00 C ATOM 913 O LEU A 60 7.507 -3.910 4.705 1.00 0.00 O ATOM 914 CB LEU A 60 6.513 -5.303 2.043 1.00 0.00 C ATOM 915 CG LEU A 60 5.503 -6.098 1.158 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.295 -5.412 -0.203 1.00 0.00 C ATOM 917 CD2 LEU A 60 5.961 -7.561 0.968 1.00 0.00 C ATOM 0 H LEU A 60 5.150 -4.774 4.456 1.00 0.00 H new ATOM 0 HA LEU A 60 7.003 -6.869 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.186 -4.264 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.484 -5.310 1.547 1.00 0.00 H new ATOM 0 HG LEU A 60 4.546 -6.108 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.586 -5.989 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.904 -4.407 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.247 -5.353 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.238 -8.091 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.937 -7.577 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.032 -8.049 1.940 1.00 0.00 H new ATOM 929 N PRO A 61 9.064 -5.540 4.284 1.00 0.00 N ATOM 930 CA PRO A 61 10.231 -4.782 4.813 1.00 0.00 C ATOM 931 C PRO A 61 10.543 -3.528 3.961 1.00 0.00 C ATOM 932 O PRO A 61 10.099 -3.438 2.818 1.00 0.00 O ATOM 933 CB PRO A 61 11.383 -5.820 4.760 1.00 0.00 C ATOM 934 CG PRO A 61 10.958 -6.791 3.704 1.00 0.00 C ATOM 935 CD PRO A 61 9.465 -6.920 3.878 1.00 0.00 C ATOM 0 HA PRO A 61 10.060 -4.390 5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.332 -5.348 4.507 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.519 -6.313 5.723 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.210 -6.428 2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.455 -7.753 3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.975 -7.230 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.208 -7.657 4.639 1.00 0.00 H new ATOM 943 N ARG A 62 11.253 -2.557 4.574 1.00 0.00 N ATOM 944 CA ARG A 62 11.750 -1.310 3.917 1.00 0.00 C ATOM 945 C ARG A 62 12.327 -1.516 2.483 1.00 0.00 C ATOM 946 O ARG A 62 12.138 -0.663 1.610 1.00 0.00 O ATOM 947 CB ARG A 62 12.819 -0.628 4.825 1.00 0.00 C ATOM 948 CG ARG A 62 14.066 -1.492 5.097 1.00 0.00 C ATOM 949 CD ARG A 62 15.136 -0.803 5.962 1.00 0.00 C ATOM 950 NE ARG A 62 16.293 -1.696 6.165 1.00 0.00 N ATOM 951 CZ ARG A 62 17.419 -1.401 6.836 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.596 -0.221 7.406 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.367 -2.316 6.944 1.00 0.00 N ATOM 0 H ARG A 62 11.507 -2.611 5.560 1.00 0.00 H new ATOM 0 HA ARG A 62 10.876 -0.670 3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.133 0.305 4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.357 -0.368 5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.755 -2.413 5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.513 -1.775 4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.462 0.119 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.709 -0.527 6.926 1.00 0.00 H new ATOM 0 HE ARG A 62 16.232 -2.628 5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.868 0.491 7.342 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.460 -0.022 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.239 -3.235 6.520 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.226 -2.103 7.451 1.00 0.00 H new ATOM 967 N ASP A 63 12.984 -2.671 2.246 1.00 0.00 N ATOM 968 CA ASP A 63 13.631 -2.998 0.950 1.00 0.00 C ATOM 969 C ASP A 63 12.600 -3.280 -0.170 1.00 0.00 C ATOM 970 O ASP A 63 12.915 -3.159 -1.356 1.00 0.00 O ATOM 971 CB ASP A 63 14.575 -4.219 1.141 1.00 0.00 C ATOM 972 CG ASP A 63 15.344 -4.624 -0.135 1.00 0.00 C ATOM 973 OD1 ASP A 63 16.305 -3.918 -0.511 1.00 0.00 O ATOM 974 OD2 ASP A 63 15.003 -5.657 -0.757 1.00 0.00 O ATOM 0 H ASP A 63 13.083 -3.406 2.946 1.00 0.00 H new ATOM 0 HA ASP A 63 14.207 -2.128 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.293 -3.990 1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.987 -5.070 1.484 1.00 0.00 H new ATOM 979 N THR A 64 11.358 -3.601 0.221 1.00 0.00 N ATOM 980 CA THR A 64 10.279 -3.999 -0.709 1.00 0.00 C ATOM 981 C THR A 64 8.986 -3.210 -0.397 1.00 0.00 C ATOM 982 O THR A 64 7.925 -3.510 -0.949 1.00 0.00 O ATOM 983 CB THR A 64 9.999 -5.543 -0.640 1.00 0.00 C ATOM 984 OG1 THR A 64 9.757 -5.946 0.720 1.00 0.00 O ATOM 985 CG2 THR A 64 11.162 -6.376 -1.217 1.00 0.00 C ATOM 0 H THR A 64 11.067 -3.593 1.199 1.00 0.00 H new ATOM 0 HA THR A 64 10.609 -3.763 -1.721 1.00 0.00 H new ATOM 0 HB THR A 64 9.115 -5.731 -1.250 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.582 -6.910 0.749 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.920 -7.436 -1.146 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.318 -6.108 -2.262 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.071 -6.173 -0.651 1.00 0.00 H new ATOM 993 N ALA A 65 9.097 -2.185 0.475 1.00 0.00 N ATOM 994 CA ALA A 65 7.951 -1.360 0.915 1.00 0.00 C ATOM 995 C ALA A 65 7.332 -0.585 -0.264 1.00 0.00 C ATOM 996 O ALA A 65 6.116 -0.520 -0.408 1.00 0.00 O ATOM 997 CB ALA A 65 8.403 -0.396 2.020 1.00 0.00 C ATOM 0 H ALA A 65 9.984 -1.906 0.894 1.00 0.00 H new ATOM 0 HA ALA A 65 7.180 -2.022 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.557 0.211 2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.784 -0.966 2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.190 0.254 1.637 1.00 0.00 H new ATOM 1003 N PHE A 66 8.213 -0.013 -1.094 1.00 0.00 N ATOM 1004 CA PHE A 66 7.834 0.721 -2.325 1.00 0.00 C ATOM 1005 C PHE A 66 7.294 -0.234 -3.411 1.00 0.00 C ATOM 1006 O PHE A 66 6.515 0.171 -4.274 1.00 0.00 O ATOM 1007 CB PHE A 66 9.060 1.485 -2.880 1.00 0.00 C ATOM 1008 CG PHE A 66 9.811 2.308 -1.839 1.00 0.00 C ATOM 1009 CD1 PHE A 66 9.383 3.584 -1.494 1.00 0.00 C ATOM 1010 CD2 PHE A 66 10.946 1.795 -1.204 1.00 0.00 C ATOM 1011 CE1 PHE A 66 10.065 4.318 -0.552 1.00 0.00 C ATOM 1012 CE2 PHE A 66 11.623 2.533 -0.262 1.00 0.00 C ATOM 1013 CZ PHE A 66 11.183 3.794 0.062 1.00 0.00 C ATOM 0 H PHE A 66 9.220 -0.042 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 66 7.043 1.424 -2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 66 9.749 0.768 -3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 66 8.729 2.147 -3.680 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.508 4.003 -1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 66 11.296 0.805 -1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.724 5.309 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.497 2.123 0.222 1.00 0.00 H new ATOM 0 HZ PHE A 66 11.715 4.376 0.800 1.00 0.00 H new ATOM 1023 N ASN A 67 7.667 -1.523 -3.296 1.00 0.00 N ATOM 1024 CA ASN A 67 7.355 -2.564 -4.302 1.00 0.00 C ATOM 1025 C ASN A 67 5.901 -3.061 -4.100 1.00 0.00 C ATOM 1026 O ASN A 67 5.375 -3.824 -4.918 1.00 0.00 O ATOM 1027 CB ASN A 67 8.369 -3.743 -4.139 1.00 0.00 C ATOM 1028 CG ASN A 67 8.488 -4.698 -5.338 1.00 0.00 C ATOM 1029 OD1 ASN A 67 7.581 -4.852 -6.153 1.00 0.00 O ATOM 1030 ND2 ASN A 67 9.620 -5.375 -5.430 1.00 0.00 N ATOM 0 H ASN A 67 8.196 -1.876 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 67 7.442 -2.155 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.354 -3.324 -3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.082 -4.325 -3.263 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.755 -6.042 -6.190 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.358 -5.230 -4.741 1.00 0.00 H new ATOM 1037 N PHE A 68 5.277 -2.618 -2.980 1.00 0.00 N ATOM 1038 CA PHE A 68 3.912 -3.006 -2.592 1.00 0.00 C ATOM 1039 C PHE A 68 2.888 -2.772 -3.703 1.00 0.00 C ATOM 1040 O PHE A 68 1.901 -3.462 -3.737 1.00 0.00 O ATOM 1041 CB PHE A 68 3.451 -2.277 -1.298 1.00 0.00 C ATOM 1042 CG PHE A 68 2.748 -0.916 -1.494 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.471 0.236 -1.803 1.00 0.00 C ATOM 1044 CD2 PHE A 68 1.357 -0.801 -1.354 1.00 0.00 C ATOM 1045 CE1 PHE A 68 2.834 1.450 -1.962 1.00 0.00 C ATOM 1046 CE2 PHE A 68 0.725 0.413 -1.516 1.00 0.00 C ATOM 1047 CZ PHE A 68 1.461 1.538 -1.820 1.00 0.00 C ATOM 0 H PHE A 68 5.717 -1.976 -2.320 1.00 0.00 H new ATOM 0 HA PHE A 68 3.958 -4.078 -2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.774 -2.937 -0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.323 -2.123 -0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.543 0.177 -1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.772 -1.677 -1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.409 2.333 -2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.347 0.483 -1.405 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.965 2.489 -1.947 1.00 0.00 H new ATOM 1057 N ALA A 69 3.104 -1.753 -4.566 1.00 0.00 N ATOM 1058 CA ALA A 69 2.219 -1.478 -5.720 1.00 0.00 C ATOM 1059 C ALA A 69 1.949 -2.739 -6.571 1.00 0.00 C ATOM 1060 O ALA A 69 0.843 -2.917 -7.080 1.00 0.00 O ATOM 1061 CB ALA A 69 2.826 -0.351 -6.573 1.00 0.00 C ATOM 0 H ALA A 69 3.888 -1.105 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 69 1.251 -1.159 -5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.175 -0.147 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.925 0.550 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.809 -0.656 -6.933 1.00 0.00 H new ATOM 1067 N SER A 70 2.953 -3.625 -6.671 1.00 0.00 N ATOM 1068 CA SER A 70 2.827 -4.914 -7.374 1.00 0.00 C ATOM 1069 C SER A 70 1.892 -5.861 -6.585 1.00 0.00 C ATOM 1070 O SER A 70 0.972 -6.454 -7.157 1.00 0.00 O ATOM 1071 CB SER A 70 4.225 -5.548 -7.538 1.00 0.00 C ATOM 1072 OG SER A 70 5.162 -4.621 -8.072 1.00 0.00 O ATOM 0 H SER A 70 3.876 -3.469 -6.267 1.00 0.00 H new ATOM 0 HA SER A 70 2.394 -4.748 -8.360 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.578 -5.907 -6.571 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.157 -6.416 -8.194 1.00 0.00 H new ATOM 0 HG SER A 70 5.973 -4.622 -7.522 1.00 0.00 H new ATOM 1078 N ASP A 71 2.148 -5.968 -5.259 1.00 0.00 N ATOM 1079 CA ASP A 71 1.374 -6.832 -4.337 1.00 0.00 C ATOM 1080 C ASP A 71 -0.083 -6.368 -4.223 1.00 0.00 C ATOM 1081 O ASP A 71 -0.969 -7.143 -4.441 1.00 0.00 O ATOM 1082 CB ASP A 71 2.019 -6.860 -2.929 1.00 0.00 C ATOM 1083 CG ASP A 71 3.362 -7.590 -2.904 1.00 0.00 C ATOM 1084 OD1 ASP A 71 3.371 -8.827 -2.708 1.00 0.00 O ATOM 1085 OD2 ASP A 71 4.409 -6.939 -3.102 1.00 0.00 O ATOM 0 H ASP A 71 2.900 -5.456 -4.798 1.00 0.00 H new ATOM 0 HA ASP A 71 1.387 -7.838 -4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.161 -5.837 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.335 -7.344 -2.231 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.270 -5.105 -3.826 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.578 -4.411 -3.728 1.00 0.00 C ATOM 1092 C ALA A 72 -2.506 -4.670 -4.941 1.00 0.00 C ATOM 1093 O ALA A 72 -3.699 -4.948 -4.764 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.344 -2.899 -3.540 1.00 0.00 C ATOM 0 H ALA A 72 0.509 -4.507 -3.551 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.095 -4.823 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.304 -2.388 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.774 -2.730 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.788 -2.508 -4.392 1.00 0.00 H new ATOM 1100 N THR A 73 -1.951 -4.586 -6.164 1.00 0.00 N ATOM 1101 CA THR A 73 -2.700 -4.888 -7.403 1.00 0.00 C ATOM 1102 C THR A 73 -3.026 -6.400 -7.497 1.00 0.00 C ATOM 1103 O THR A 73 -4.138 -6.780 -7.888 1.00 0.00 O ATOM 1104 CB THR A 73 -1.905 -4.430 -8.671 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.655 -3.020 -8.587 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.655 -4.736 -9.987 1.00 0.00 C ATOM 0 H THR A 73 -0.982 -4.310 -6.323 1.00 0.00 H new ATOM 0 HA THR A 73 -3.636 -4.331 -7.365 1.00 0.00 H new ATOM 0 HB THR A 73 -0.971 -4.991 -8.691 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.833 -2.863 -8.076 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.058 -4.397 -10.833 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.824 -5.810 -10.068 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.614 -4.217 -9.989 1.00 0.00 H new ATOM 1114 N ARG A 74 -2.046 -7.239 -7.109 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.160 -8.712 -7.170 1.00 0.00 C ATOM 1116 C ARG A 74 -3.194 -9.254 -6.146 1.00 0.00 C ATOM 1117 O ARG A 74 -3.957 -10.168 -6.454 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.762 -9.361 -6.992 1.00 0.00 C ATOM 1119 CG ARG A 74 -0.738 -10.909 -7.015 1.00 0.00 C ATOM 1120 CD ARG A 74 0.696 -11.471 -7.124 1.00 0.00 C ATOM 1121 NE ARG A 74 1.622 -10.857 -6.141 1.00 0.00 N ATOM 1122 CZ ARG A 74 2.900 -10.515 -6.382 1.00 0.00 C ATOM 1123 NH1 ARG A 74 3.454 -10.763 -7.562 1.00 0.00 N ATOM 1124 NH2 ARG A 74 3.615 -9.924 -5.439 1.00 0.00 N ATOM 0 H ARG A 74 -1.151 -6.915 -6.743 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.537 -8.988 -8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.107 -8.993 -7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.341 -9.022 -6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.208 -11.291 -6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.331 -11.267 -7.857 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.673 -12.550 -6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.075 -11.299 -8.132 1.00 0.00 H new ATOM 0 HE ARG A 74 1.259 -10.679 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.910 -11.217 -8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.424 -10.500 -7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.197 -9.728 -4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.584 -9.664 -5.621 1.00 0.00 H new ATOM 1138 N VAL A 75 -3.220 -8.661 -4.945 1.00 0.00 N ATOM 1139 CA VAL A 75 -4.219 -8.939 -3.903 1.00 0.00 C ATOM 1140 C VAL A 75 -5.613 -8.591 -4.428 1.00 0.00 C ATOM 1141 O VAL A 75 -6.526 -9.422 -4.384 1.00 0.00 O ATOM 1142 CB VAL A 75 -3.925 -8.124 -2.582 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -5.053 -8.288 -1.531 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -2.559 -8.522 -1.971 1.00 0.00 C ATOM 0 H VAL A 75 -2.534 -7.961 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.167 -10.000 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.887 -7.072 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.807 -7.710 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.994 -7.929 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.152 -9.340 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.384 -7.945 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.564 -9.585 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.765 -8.317 -2.690 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.737 -7.376 -4.980 1.00 0.00 N ATOM 1155 CA ALA A 76 -7.004 -6.835 -5.475 1.00 0.00 C ATOM 1156 C ALA A 76 -7.589 -7.703 -6.604 1.00 0.00 C ATOM 1157 O ALA A 76 -8.792 -7.991 -6.610 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.780 -5.398 -5.959 1.00 0.00 C ATOM 0 H ALA A 76 -4.950 -6.737 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.728 -6.840 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.720 -4.988 -6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.419 -4.787 -5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.042 -5.395 -6.761 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.719 -8.141 -7.538 1.00 0.00 N ATOM 1165 CA GLN A 77 -7.143 -8.912 -8.719 1.00 0.00 C ATOM 1166 C GLN A 77 -7.581 -10.337 -8.329 1.00 0.00 C ATOM 1167 O GLN A 77 -8.538 -10.868 -8.899 1.00 0.00 O ATOM 1168 CB GLN A 77 -6.050 -8.911 -9.831 1.00 0.00 C ATOM 1169 CG GLN A 77 -4.763 -9.677 -9.491 1.00 0.00 C ATOM 1170 CD GLN A 77 -3.632 -9.551 -10.522 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -2.842 -10.474 -10.694 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -3.512 -8.401 -11.176 1.00 0.00 N ATOM 0 H GLN A 77 -5.714 -7.971 -7.494 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.016 -8.416 -9.143 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.478 -9.338 -10.738 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.788 -7.878 -10.058 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.395 -9.325 -8.527 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.009 -10.732 -9.373 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.183 -7.650 -11.014 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.749 -8.269 -11.840 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.904 -10.931 -7.322 1.00 0.00 N ATOM 1182 CA LYS A 78 -7.319 -12.226 -6.736 1.00 0.00 C ATOM 1183 C LYS A 78 -8.684 -12.093 -6.032 1.00 0.00 C ATOM 1184 O LYS A 78 -9.459 -13.051 -5.987 1.00 0.00 O ATOM 1185 CB LYS A 78 -6.274 -12.752 -5.719 1.00 0.00 C ATOM 1186 CG LYS A 78 -4.902 -13.146 -6.314 1.00 0.00 C ATOM 1187 CD LYS A 78 -3.947 -13.734 -5.241 1.00 0.00 C ATOM 1188 CE LYS A 78 -3.682 -12.766 -4.065 1.00 0.00 C ATOM 1189 NZ LYS A 78 -2.979 -13.430 -2.938 1.00 0.00 N ATOM 0 H LYS A 78 -6.066 -10.534 -6.897 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.398 -12.938 -7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.114 -11.986 -4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.693 -13.621 -5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.049 -13.878 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.440 -12.270 -6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.373 -14.659 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.998 -13.993 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.086 -11.924 -4.417 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.629 -12.360 -3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.823 -12.743 -2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.558 -14.217 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.063 -13.795 -3.267 1.00 0.00 H new ATOM 1203 N HIS A 79 -8.955 -10.899 -5.477 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.202 -10.614 -4.738 1.00 0.00 C ATOM 1205 C HIS A 79 -11.323 -10.092 -5.666 1.00 0.00 C ATOM 1206 O HIS A 79 -12.395 -9.730 -5.171 1.00 0.00 O ATOM 1207 CB HIS A 79 -9.927 -9.620 -3.566 1.00 0.00 C ATOM 1208 CG HIS A 79 -9.321 -10.261 -2.335 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -10.079 -10.663 -1.254 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -8.040 -10.578 -2.018 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -9.296 -11.192 -0.338 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -8.057 -11.152 -0.777 1.00 0.00 N ATOM 0 H HIS A 79 -8.318 -10.104 -5.527 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.557 -11.555 -4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.258 -8.836 -3.920 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.864 -9.138 -3.287 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.168 -10.408 -2.632 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.617 -11.591 0.613 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.239 -11.494 -0.272 1.00 0.00 H new ATOM 1221 N GLY A 80 -11.096 -10.062 -7.004 1.00 0.00 N ATOM 1222 CA GLY A 80 -12.182 -9.750 -7.952 1.00 0.00 C ATOM 1223 C GLY A 80 -11.787 -8.879 -9.137 1.00 0.00 C ATOM 1224 O GLY A 80 -12.434 -8.955 -10.191 1.00 0.00 O ATOM 0 H GLY A 80 -10.191 -10.246 -7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.590 -10.687 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.984 -9.251 -7.408 1.00 0.00 H new ATOM 1228 N LEU A 81 -10.750 -8.036 -8.975 1.00 0.00 N ATOM 1229 CA LEU A 81 -10.324 -7.088 -10.036 1.00 0.00 C ATOM 1230 C LEU A 81 -9.662 -7.813 -11.225 1.00 0.00 C ATOM 1231 O LEU A 81 -9.180 -8.941 -11.110 1.00 0.00 O ATOM 1232 CB LEU A 81 -9.329 -6.009 -9.498 1.00 0.00 C ATOM 1233 CG LEU A 81 -9.920 -4.832 -8.671 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -10.506 -5.293 -7.321 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -8.866 -3.714 -8.480 1.00 0.00 C ATOM 0 H LEU A 81 -10.190 -7.988 -8.124 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.237 -6.598 -10.373 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.587 -6.515 -8.880 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.798 -5.587 -10.351 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.753 -4.424 -9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.905 -4.432 -6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.305 -6.012 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.722 -5.761 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.300 -2.900 -7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.001 -4.116 -7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.554 -3.338 -9.454 1.00 0.00 H new ATOM 1466 N TYR A 95 3.953 7.310 -9.237 1.00 0.00 N ATOM 1467 CA TYR A 95 4.605 6.278 -8.425 1.00 0.00 C ATOM 1468 C TYR A 95 5.917 6.819 -7.832 1.00 0.00 C ATOM 1469 O TYR A 95 6.308 6.432 -6.738 1.00 0.00 O ATOM 1470 CB TYR A 95 4.845 5.015 -9.290 1.00 0.00 C ATOM 1471 CG TYR A 95 5.621 3.878 -8.593 1.00 0.00 C ATOM 1472 CD1 TYR A 95 5.047 3.136 -7.554 1.00 0.00 C ATOM 1473 CD2 TYR A 95 6.932 3.559 -8.972 1.00 0.00 C ATOM 1474 CE1 TYR A 95 5.753 2.122 -6.929 1.00 0.00 C ATOM 1475 CE2 TYR A 95 7.633 2.549 -8.348 1.00 0.00 C ATOM 1476 CZ TYR A 95 7.042 1.833 -7.331 1.00 0.00 C ATOM 1477 OH TYR A 95 7.741 0.820 -6.715 1.00 0.00 O ATOM 0 HA TYR A 95 3.959 6.002 -7.592 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.879 4.628 -9.615 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.389 5.307 -10.188 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.039 3.358 -7.235 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.403 4.116 -9.769 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.296 1.558 -6.129 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.643 2.320 -8.656 1.00 0.00 H new ATOM 0 HH TYR A 95 7.310 0.596 -5.864 1.00 0.00 H new ATOM 1487 N ASP A 96 6.583 7.715 -8.579 1.00 0.00 N ATOM 1488 CA ASP A 96 7.792 8.424 -8.114 1.00 0.00 C ATOM 1489 C ASP A 96 7.455 9.443 -6.993 1.00 0.00 C ATOM 1490 O ASP A 96 8.281 9.695 -6.102 1.00 0.00 O ATOM 1491 CB ASP A 96 8.478 9.125 -9.313 1.00 0.00 C ATOM 1492 CG ASP A 96 9.803 9.816 -8.944 1.00 0.00 C ATOM 1493 OD1 ASP A 96 10.815 9.113 -8.744 1.00 0.00 O ATOM 1494 OD2 ASP A 96 9.845 11.060 -8.851 1.00 0.00 O ATOM 0 H ASP A 96 6.299 7.970 -9.525 1.00 0.00 H new ATOM 0 HA ASP A 96 8.480 7.694 -7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.667 8.389 -10.095 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.795 9.865 -9.730 1.00 0.00 H new ATOM 1499 N ALA A 97 6.235 10.017 -7.046 1.00 0.00 N ATOM 1500 CA ALA A 97 5.760 10.991 -6.042 1.00 0.00 C ATOM 1501 C ALA A 97 5.489 10.303 -4.692 1.00 0.00 C ATOM 1502 O ALA A 97 5.903 10.793 -3.639 1.00 0.00 O ATOM 1503 CB ALA A 97 4.496 11.701 -6.543 1.00 0.00 C ATOM 0 H ALA A 97 5.556 9.820 -7.781 1.00 0.00 H new ATOM 0 HA ALA A 97 6.544 11.734 -5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.158 12.415 -5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.718 12.228 -7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.712 10.965 -6.722 1.00 0.00 H new ATOM 1509 N MET A 98 4.748 9.185 -4.725 1.00 0.00 N ATOM 1510 CA MET A 98 4.547 8.343 -3.525 1.00 0.00 C ATOM 1511 C MET A 98 5.868 7.690 -3.064 1.00 0.00 C ATOM 1512 O MET A 98 6.055 7.470 -1.882 1.00 0.00 O ATOM 1513 CB MET A 98 3.437 7.283 -3.770 1.00 0.00 C ATOM 1514 CG MET A 98 3.738 6.223 -4.832 1.00 0.00 C ATOM 1515 SD MET A 98 2.288 5.240 -5.288 1.00 0.00 S ATOM 1516 CE MET A 98 1.747 4.603 -3.701 1.00 0.00 C ATOM 0 H MET A 98 4.278 8.840 -5.562 1.00 0.00 H new ATOM 0 HA MET A 98 4.212 8.991 -2.715 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.234 6.775 -2.827 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.523 7.804 -4.055 1.00 0.00 H new ATOM 0 HG2 MET A 98 4.132 6.712 -5.723 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.518 5.558 -4.462 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.314 3.612 -3.835 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.600 4.538 -3.025 1.00 0.00 H new ATOM 0 HE3 MET A 98 0.998 5.272 -3.277 1.00 0.00 H new ATOM 1526 N PHE A 99 6.762 7.397 -4.026 1.00 0.00 N ATOM 1527 CA PHE A 99 8.110 6.835 -3.741 1.00 0.00 C ATOM 1528 C PHE A 99 8.899 7.757 -2.773 1.00 0.00 C ATOM 1529 O PHE A 99 9.470 7.275 -1.787 1.00 0.00 O ATOM 1530 CB PHE A 99 8.910 6.602 -5.052 1.00 0.00 C ATOM 1531 CG PHE A 99 10.176 5.750 -4.903 1.00 0.00 C ATOM 1532 CD1 PHE A 99 11.406 6.326 -4.577 1.00 0.00 C ATOM 1533 CD2 PHE A 99 10.129 4.367 -5.091 1.00 0.00 C ATOM 1534 CE1 PHE A 99 12.543 5.548 -4.448 1.00 0.00 C ATOM 1535 CE2 PHE A 99 11.269 3.591 -4.962 1.00 0.00 C ATOM 1536 CZ PHE A 99 12.472 4.181 -4.639 1.00 0.00 C ATOM 0 H PHE A 99 6.579 7.539 -5.019 1.00 0.00 H new ATOM 0 HA PHE A 99 7.972 5.868 -3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.253 6.124 -5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.190 7.571 -5.465 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.470 7.393 -4.424 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.190 3.896 -5.341 1.00 0.00 H new ATOM 0 HE1 PHE A 99 13.487 6.009 -4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.215 2.523 -5.115 1.00 0.00 H new ATOM 0 HZ PHE A 99 13.360 3.575 -4.535 1.00 0.00 H new ATOM 1546 N GLU A 100 8.882 9.082 -3.044 1.00 0.00 N ATOM 1547 CA GLU A 100 9.610 10.079 -2.219 1.00 0.00 C ATOM 1548 C GLU A 100 8.876 10.377 -0.893 1.00 0.00 C ATOM 1549 O GLU A 100 9.509 10.761 0.102 1.00 0.00 O ATOM 1550 CB GLU A 100 9.889 11.383 -2.997 1.00 0.00 C ATOM 1551 CG GLU A 100 8.634 12.117 -3.493 1.00 0.00 C ATOM 1552 CD GLU A 100 8.921 13.413 -4.253 1.00 0.00 C ATOM 1553 OE1 GLU A 100 9.626 13.360 -5.281 1.00 0.00 O ATOM 1554 OE2 GLU A 100 8.423 14.486 -3.848 1.00 0.00 O ATOM 0 H GLU A 100 8.372 9.488 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 100 10.572 9.630 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.458 12.057 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.520 11.150 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.068 11.447 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.999 12.345 -2.637 1.00 0.00 H new ATOM 1561 N ASP A 101 7.544 10.218 -0.894 1.00 0.00 N ATOM 1562 CA ASP A 101 6.726 10.378 0.323 1.00 0.00 C ATOM 1563 C ASP A 101 7.046 9.247 1.329 1.00 0.00 C ATOM 1564 O ASP A 101 7.461 9.507 2.466 1.00 0.00 O ATOM 1565 CB ASP A 101 5.211 10.388 -0.031 1.00 0.00 C ATOM 1566 CG ASP A 101 4.302 10.557 1.207 1.00 0.00 C ATOM 1567 OD1 ASP A 101 4.062 11.710 1.620 1.00 0.00 O ATOM 1568 OD2 ASP A 101 3.848 9.544 1.780 1.00 0.00 O ATOM 0 H ASP A 101 7.006 9.978 -1.727 1.00 0.00 H new ATOM 0 HA ASP A 101 6.970 11.335 0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.013 11.198 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.956 9.457 -0.538 1.00 0.00 H new ATOM 1573 N ILE A 102 6.834 8.002 0.873 1.00 0.00 N ATOM 1574 CA ILE A 102 7.072 6.766 1.648 1.00 0.00 C ATOM 1575 C ILE A 102 8.537 6.657 2.151 1.00 0.00 C ATOM 1576 O ILE A 102 8.755 6.214 3.270 1.00 0.00 O ATOM 1577 CB ILE A 102 6.658 5.488 0.807 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.147 5.570 0.391 1.00 0.00 C ATOM 1579 CG2 ILE A 102 6.940 4.167 1.570 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.666 4.451 -0.530 1.00 0.00 C ATOM 0 H ILE A 102 6.484 7.819 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 102 6.440 6.815 2.535 1.00 0.00 H new ATOM 0 HB ILE A 102 7.275 5.480 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.537 5.563 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.974 6.526 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.640 3.320 0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.005 4.095 1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.374 4.157 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.610 4.597 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.244 4.467 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.800 3.489 -0.035 1.00 0.00 H new ATOM 1592 N ARG A 103 9.532 7.084 1.330 1.00 0.00 N ATOM 1593 CA ARG A 103 10.965 7.052 1.771 1.00 0.00 C ATOM 1594 C ARG A 103 11.210 7.985 2.969 1.00 0.00 C ATOM 1595 O ARG A 103 12.093 7.728 3.794 1.00 0.00 O ATOM 1596 CB ARG A 103 12.013 7.239 0.622 1.00 0.00 C ATOM 1597 CG ARG A 103 12.033 8.565 -0.152 1.00 0.00 C ATOM 1598 CD ARG A 103 12.558 9.775 0.636 1.00 0.00 C ATOM 1599 NE ARG A 103 13.928 9.606 1.158 1.00 0.00 N ATOM 1600 CZ ARG A 103 14.633 10.563 1.792 1.00 0.00 C ATOM 1601 NH1 ARG A 103 14.147 11.794 1.932 1.00 0.00 N ATOM 1602 NH2 ARG A 103 15.837 10.293 2.262 1.00 0.00 N ATOM 0 H ARG A 103 9.384 7.445 0.387 1.00 0.00 H new ATOM 0 HA ARG A 103 11.139 6.031 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.004 7.093 1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.858 6.438 -0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.648 8.438 -1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.021 8.784 -0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.532 10.654 -0.009 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.885 9.972 1.470 1.00 0.00 H new ATOM 0 HE ARG A 103 14.374 8.698 1.029 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.227 12.025 1.556 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.694 12.507 2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.233 9.360 2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.371 11.017 2.742 1.00 0.00 H new ATOM 1616 N ALA A 104 10.416 9.068 3.047 1.00 0.00 N ATOM 1617 CA ALA A 104 10.512 10.045 4.140 1.00 0.00 C ATOM 1618 C ALA A 104 9.897 9.454 5.421 1.00 0.00 C ATOM 1619 O ALA A 104 10.425 9.643 6.521 1.00 0.00 O ATOM 1620 CB ALA A 104 9.841 11.371 3.741 1.00 0.00 C ATOM 0 H ALA A 104 9.696 9.287 2.359 1.00 0.00 H new ATOM 0 HA ALA A 104 11.561 10.263 4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.922 12.082 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.336 11.778 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.789 11.194 3.518 1.00 0.00 H new ATOM 1626 N LYS A 105 8.754 8.755 5.257 1.00 0.00 N ATOM 1627 CA LYS A 105 8.120 7.954 6.325 1.00 0.00 C ATOM 1628 C LYS A 105 9.071 6.868 6.898 1.00 0.00 C ATOM 1629 O LYS A 105 9.150 6.676 8.117 1.00 0.00 O ATOM 1630 CB LYS A 105 6.831 7.283 5.771 1.00 0.00 C ATOM 1631 CG LYS A 105 5.806 8.228 5.089 1.00 0.00 C ATOM 1632 CD LYS A 105 5.243 9.316 6.029 1.00 0.00 C ATOM 1633 CE LYS A 105 4.471 8.740 7.227 1.00 0.00 C ATOM 1634 NZ LYS A 105 3.913 9.808 8.094 1.00 0.00 N ATOM 0 H LYS A 105 8.242 8.731 4.375 1.00 0.00 H new ATOM 0 HA LYS A 105 7.875 8.632 7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.125 6.519 5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.331 6.771 6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.282 8.709 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.979 7.633 4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.065 9.931 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.583 9.972 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.661 8.106 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.134 8.105 7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.400 9.377 8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.687 10.398 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.260 10.399 7.541 1.00 0.00 H new ATOM 1648 N LEU A 106 9.763 6.151 5.994 1.00 0.00 N ATOM 1649 CA LEU A 106 10.789 5.137 6.351 1.00 0.00 C ATOM 1650 C LEU A 106 11.998 5.774 7.067 1.00 0.00 C ATOM 1651 O LEU A 106 12.719 5.093 7.804 1.00 0.00 O ATOM 1652 CB LEU A 106 11.258 4.344 5.087 1.00 0.00 C ATOM 1653 CG LEU A 106 10.434 3.069 4.717 1.00 0.00 C ATOM 1654 CD1 LEU A 106 8.940 3.380 4.546 1.00 0.00 C ATOM 1655 CD2 LEU A 106 11.004 2.398 3.448 1.00 0.00 C ATOM 0 H LEU A 106 9.630 6.255 4.988 1.00 0.00 H new ATOM 0 HA LEU A 106 10.322 4.438 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.240 5.021 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.296 4.048 5.236 1.00 0.00 H new ATOM 0 HG LEU A 106 10.525 2.371 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.405 2.466 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.543 3.783 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.810 4.112 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.415 1.512 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.960 3.099 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.040 2.108 3.624 1.00 0.00 H new ATOM 1667 N HIS A 107 12.220 7.072 6.814 1.00 0.00 N ATOM 1668 CA HIS A 107 13.262 7.863 7.494 1.00 0.00 C ATOM 1669 C HIS A 107 12.729 8.432 8.836 1.00 0.00 C ATOM 1670 O HIS A 107 13.517 8.903 9.670 1.00 0.00 O ATOM 1671 CB HIS A 107 13.765 8.990 6.556 1.00 0.00 C ATOM 1672 CG HIS A 107 14.995 9.709 7.056 1.00 0.00 C ATOM 1673 ND1 HIS A 107 16.257 9.161 6.989 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.148 10.917 7.649 1.00 0.00 C ATOM 1675 CE1 HIS A 107 17.127 9.995 7.514 1.00 0.00 C ATOM 1676 NE2 HIS A 107 16.479 11.069 7.918 1.00 0.00 N ATOM 0 H HIS A 107 11.682 7.606 6.131 1.00 0.00 H new ATOM 0 HA HIS A 107 14.106 7.215 7.729 1.00 0.00 H new ATOM 0 HB2 HIS A 107 13.981 8.563 5.577 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.964 9.717 6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.365 11.627 7.868 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.191 9.829 7.600 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.903 11.884 8.361 1.00 0.00 H new ATOM 1685 N ALA A 108 11.378 8.436 8.992 1.00 0.00 N ATOM 1686 CA ALA A 108 10.661 8.849 10.226 1.00 0.00 C ATOM 1687 C ALA A 108 10.675 10.378 10.405 1.00 0.00 C ATOM 1688 O ALA A 108 10.318 10.896 11.468 1.00 0.00 O ATOM 1689 CB ALA A 108 11.198 8.113 11.474 1.00 0.00 C ATOM 0 H ALA A 108 10.745 8.146 8.247 1.00 0.00 H new ATOM 0 HA ALA A 108 9.619 8.552 10.110 1.00 0.00 H new ATOM 0 HB1 ALA A 108 10.648 8.443 12.355 1.00 0.00 H new ATOM 0 HB2 ALA A 108 11.069 7.038 11.346 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.257 8.338 11.602 1.00 0.00 H new ATOM 1727 N GLY A 111 11.414 14.694 4.709 1.00 0.00 N ATOM 1728 CA GLY A 111 12.586 15.109 3.931 1.00 0.00 C ATOM 1729 C GLY A 111 12.314 15.068 2.440 1.00 0.00 C ATOM 1730 O GLY A 111 13.124 14.549 1.663 1.00 0.00 O ATOM 0 HA2 GLY A 111 12.875 16.119 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 111 13.428 14.457 4.165 1.00 0.00 H new ATOM 1734 N GLU A 112 11.160 15.626 2.051 1.00 0.00 N ATOM 1735 CA GLU A 112 10.705 15.687 0.649 1.00 0.00 C ATOM 1736 C GLU A 112 11.546 16.721 -0.141 1.00 0.00 C ATOM 1737 O GLU A 112 11.933 17.755 0.425 1.00 0.00 O ATOM 1738 CB GLU A 112 9.198 16.047 0.633 1.00 0.00 C ATOM 1739 CG GLU A 112 8.307 15.021 1.373 1.00 0.00 C ATOM 1740 CD GLU A 112 6.869 15.517 1.595 1.00 0.00 C ATOM 1741 OE1 GLU A 112 6.027 15.370 0.685 1.00 0.00 O ATOM 1742 OE2 GLU A 112 6.582 16.074 2.682 1.00 0.00 O ATOM 0 H GLU A 112 10.506 16.054 2.706 1.00 0.00 H new ATOM 0 HA GLU A 112 10.842 14.720 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.063 17.028 1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.863 16.127 -0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.280 14.093 0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.757 14.788 2.338 1.00 0.00 H new ATOM 1749 N PRO A 113 11.851 16.456 -1.461 1.00 0.00 N ATOM 1750 CA PRO A 113 12.726 17.328 -2.277 1.00 0.00 C ATOM 1751 C PRO A 113 12.066 18.684 -2.588 1.00 0.00 C ATOM 1752 O PRO A 113 10.836 18.773 -2.697 1.00 0.00 O ATOM 1753 CB PRO A 113 12.981 16.497 -3.575 1.00 0.00 C ATOM 1754 CG PRO A 113 12.474 15.115 -3.264 1.00 0.00 C ATOM 1755 CD PRO A 113 11.359 15.314 -2.270 1.00 0.00 C ATOM 0 HA PRO A 113 13.649 17.587 -1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.455 16.927 -4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.041 16.480 -3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 113 12.114 14.616 -4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.265 14.490 -2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 113 10.413 15.542 -2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.195 14.425 -1.660 1.00 0.00 H new ATOM 1763 N VAL A 114 12.894 19.732 -2.716 1.00 0.00 N ATOM 1764 CA VAL A 114 12.416 21.089 -3.005 1.00 0.00 C ATOM 1765 C VAL A 114 12.092 21.233 -4.505 1.00 0.00 C ATOM 1766 O VAL A 114 12.693 20.559 -5.356 1.00 0.00 O ATOM 1767 CB VAL A 114 13.451 22.181 -2.529 1.00 0.00 C ATOM 1768 CG1 VAL A 114 14.761 22.162 -3.363 1.00 0.00 C ATOM 1769 CG2 VAL A 114 12.811 23.593 -2.488 1.00 0.00 C ATOM 0 H VAL A 114 13.907 19.662 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 114 11.498 21.255 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 114 13.734 21.922 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.438 22.932 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.237 21.186 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 114 14.528 22.354 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.553 24.319 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 114 12.460 23.862 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.970 23.591 -1.795 1.00 0.00 H new ATOM 1779 N ASP A 115 11.122 22.103 -4.807 1.00 0.00 N ATOM 1780 CA ASP A 115 10.614 22.316 -6.169 1.00 0.00 C ATOM 1781 C ASP A 115 10.338 23.813 -6.403 1.00 0.00 C ATOM 1782 O ASP A 115 9.449 24.183 -7.181 1.00 0.00 O ATOM 1783 CB ASP A 115 9.340 21.443 -6.393 1.00 0.00 C ATOM 1784 CG ASP A 115 8.147 21.834 -5.489 1.00 0.00 C ATOM 1785 OD1 ASP A 115 8.194 21.568 -4.264 1.00 0.00 O ATOM 1786 OD2 ASP A 115 7.167 22.426 -5.996 1.00 0.00 O ATOM 0 H ASP A 115 10.662 22.685 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 115 11.364 22.007 -6.898 1.00 0.00 H new ATOM 0 HB2 ASP A 115 9.035 21.524 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 115 9.592 20.398 -6.214 1.00 0.00 H new ATOM 1791 N LEU A 116 11.153 24.681 -5.759 1.00 0.00 N ATOM 1792 CA LEU A 116 11.003 26.150 -5.863 1.00 0.00 C ATOM 1793 C LEU A 116 11.201 26.620 -7.320 1.00 0.00 C ATOM 1794 O LEU A 116 10.409 27.405 -7.837 1.00 0.00 O ATOM 1795 CB LEU A 116 11.953 26.888 -4.848 1.00 0.00 C ATOM 1796 CG LEU A 116 13.516 26.612 -4.911 1.00 0.00 C ATOM 1797 CD1 LEU A 116 14.245 27.456 -5.988 1.00 0.00 C ATOM 1798 CD2 LEU A 116 14.184 26.819 -3.527 1.00 0.00 C ATOM 0 H LEU A 116 11.924 24.387 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 116 9.984 26.418 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.803 27.960 -4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.616 26.639 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 116 13.618 25.567 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 116 15.309 27.219 -5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.832 27.228 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.108 28.516 -5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.253 26.622 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 116 14.028 27.846 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.741 26.135 -2.803 1.00 0.00 H new ATOM 1810 N GLU A 117 12.218 26.055 -7.975 1.00 0.00 N ATOM 1811 CA GLU A 117 12.610 26.379 -9.356 1.00 0.00 C ATOM 1812 C GLU A 117 11.657 25.747 -10.385 1.00 0.00 C ATOM 1813 O GLU A 117 11.554 26.246 -11.493 1.00 0.00 O ATOM 1814 CB GLU A 117 14.078 25.909 -9.609 1.00 0.00 C ATOM 1815 CG GLU A 117 14.306 24.369 -9.725 1.00 0.00 C ATOM 1816 CD GLU A 117 13.801 23.551 -8.513 1.00 0.00 C ATOM 1817 OE1 GLU A 117 14.282 23.776 -7.379 1.00 0.00 O ATOM 1818 OE2 GLU A 117 12.905 22.707 -8.684 1.00 0.00 O ATOM 0 H GLU A 117 12.810 25.340 -7.552 1.00 0.00 H new ATOM 0 HA GLU A 117 12.547 27.460 -9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 117 14.432 26.377 -10.528 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.701 26.286 -8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 117 13.807 24.008 -10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.372 24.181 -9.855 1.00 0.00 H new ATOM 1825 N ARG A 118 10.950 24.671 -9.972 1.00 0.00 N ATOM 1826 CA ARG A 118 10.125 23.801 -10.855 1.00 0.00 C ATOM 1827 C ARG A 118 9.157 24.615 -11.737 1.00 0.00 C ATOM 1828 O ARG A 118 9.094 24.435 -12.959 1.00 0.00 O ATOM 1829 CB ARG A 118 9.325 22.799 -9.970 1.00 0.00 C ATOM 1830 CG ARG A 118 8.902 21.475 -10.646 1.00 0.00 C ATOM 1831 CD ARG A 118 10.120 20.628 -11.091 1.00 0.00 C ATOM 1832 NE ARG A 118 11.207 20.648 -10.080 1.00 0.00 N ATOM 1833 CZ ARG A 118 11.593 19.628 -9.301 1.00 0.00 C ATOM 1834 NH1 ARG A 118 11.018 18.442 -9.391 1.00 0.00 N ATOM 1835 NH2 ARG A 118 12.570 19.818 -8.427 1.00 0.00 N ATOM 0 H ARG A 118 10.934 24.373 -8.997 1.00 0.00 H new ATOM 0 HA ARG A 118 10.795 23.266 -11.527 1.00 0.00 H new ATOM 0 HB2 ARG A 118 9.928 22.559 -9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 118 8.427 23.302 -9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 118 8.292 20.895 -9.954 1.00 0.00 H new ATOM 0 HG3 ARG A 118 8.279 21.695 -11.513 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.803 19.599 -11.263 1.00 0.00 H new ATOM 0 HD3 ARG A 118 10.499 21.008 -12.040 1.00 0.00 H new ATOM 0 HE ARG A 118 11.711 21.527 -9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 118 10.266 18.290 -10.063 1.00 0.00 H new ATOM 0 HH12 ARG A 118 11.327 17.679 -8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.018 20.731 -8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 118 12.874 19.051 -7.828 1.00 0.00 H new ATOM 1849 N ILE A 119 8.436 25.528 -11.077 1.00 0.00 N ATOM 1850 CA ILE A 119 7.440 26.403 -11.708 1.00 0.00 C ATOM 1851 C ILE A 119 8.131 27.572 -12.456 1.00 0.00 C ATOM 1852 O ILE A 119 7.625 28.064 -13.469 1.00 0.00 O ATOM 1853 CB ILE A 119 6.434 26.949 -10.619 1.00 0.00 C ATOM 1854 CG1 ILE A 119 5.824 25.768 -9.778 1.00 0.00 C ATOM 1855 CG2 ILE A 119 5.312 27.817 -11.249 1.00 0.00 C ATOM 1856 CD1 ILE A 119 5.055 24.725 -10.587 1.00 0.00 C ATOM 0 H ILE A 119 8.529 25.683 -10.073 1.00 0.00 H new ATOM 0 HA ILE A 119 6.879 25.823 -12.441 1.00 0.00 H new ATOM 0 HB ILE A 119 7.002 27.593 -9.947 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.632 25.268 -9.244 1.00 0.00 H new ATOM 0 HG13 ILE A 119 5.156 26.186 -9.025 1.00 0.00 H new ATOM 0 HG21 ILE A 119 4.643 28.172 -10.465 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.756 28.671 -11.761 1.00 0.00 H new ATOM 0 HG23 ILE A 119 4.748 27.219 -11.964 1.00 0.00 H new ATOM 0 HD11 ILE A 119 4.674 23.954 -9.918 1.00 0.00 H new ATOM 0 HD12 ILE A 119 4.221 25.205 -11.100 1.00 0.00 H new ATOM 0 HD13 ILE A 119 5.720 24.272 -11.322 1.00 0.00 H new ATOM 1868 N ILE A 120 9.315 27.970 -11.955 1.00 0.00 N ATOM 1869 CA ILE A 120 10.090 29.114 -12.486 1.00 0.00 C ATOM 1870 C ILE A 120 10.771 28.766 -13.837 1.00 0.00 C ATOM 1871 O ILE A 120 11.048 29.670 -14.632 1.00 0.00 O ATOM 1872 CB ILE A 120 11.178 29.585 -11.435 1.00 0.00 C ATOM 1873 CG1 ILE A 120 10.522 29.832 -10.033 1.00 0.00 C ATOM 1874 CG2 ILE A 120 11.932 30.857 -11.915 1.00 0.00 C ATOM 1875 CD1 ILE A 120 11.497 30.245 -8.933 1.00 0.00 C ATOM 0 H ILE A 120 9.766 27.507 -11.166 1.00 0.00 H new ATOM 0 HA ILE A 120 9.389 29.929 -12.663 1.00 0.00 H new ATOM 0 HB ILE A 120 11.911 28.783 -11.343 1.00 0.00 H new ATOM 0 HG12 ILE A 120 9.762 30.607 -10.135 1.00 0.00 H new ATOM 0 HG13 ILE A 120 10.010 28.922 -9.722 1.00 0.00 H new ATOM 0 HG21 ILE A 120 12.669 31.147 -11.166 1.00 0.00 H new ATOM 0 HG22 ILE A 120 12.436 30.647 -12.858 1.00 0.00 H new ATOM 0 HG23 ILE A 120 11.220 31.670 -12.058 1.00 0.00 H new ATOM 0 HD11 ILE A 120 10.952 30.393 -8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 120 12.244 29.463 -8.796 1.00 0.00 H new ATOM 0 HD13 ILE A 120 11.992 31.174 -9.216 1.00 0.00 H new ATOM 1887 N ARG A 121 11.020 27.451 -14.090 1.00 0.00 N ATOM 1888 CA ARG A 121 11.736 26.971 -15.305 1.00 0.00 C ATOM 1889 C ARG A 121 10.944 27.299 -16.592 1.00 0.00 C ATOM 1890 O ARG A 121 10.194 26.462 -17.109 1.00 0.00 O ATOM 1891 CB ARG A 121 12.030 25.440 -15.232 1.00 0.00 C ATOM 1892 CG ARG A 121 12.850 24.975 -14.012 1.00 0.00 C ATOM 1893 CD ARG A 121 14.221 25.660 -13.899 1.00 0.00 C ATOM 1894 NE ARG A 121 15.147 25.258 -14.977 1.00 0.00 N ATOM 1895 CZ ARG A 121 16.255 25.928 -15.332 1.00 0.00 C ATOM 1896 NH1 ARG A 121 16.535 27.118 -14.813 1.00 0.00 N ATOM 1897 NH2 ARG A 121 17.067 25.405 -16.235 1.00 0.00 N ATOM 0 H ARG A 121 10.732 26.700 -13.463 1.00 0.00 H new ATOM 0 HA ARG A 121 12.688 27.500 -15.341 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.080 24.906 -15.233 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.562 25.147 -16.137 1.00 0.00 H new ATOM 0 HG2 ARG A 121 12.279 25.170 -13.104 1.00 0.00 H new ATOM 0 HG3 ARG A 121 12.995 23.896 -14.071 1.00 0.00 H new ATOM 0 HD2 ARG A 121 14.086 26.741 -13.925 1.00 0.00 H new ATOM 0 HD3 ARG A 121 14.666 25.418 -12.934 1.00 0.00 H new ATOM 0 HE ARG A 121 14.928 24.405 -15.492 1.00 0.00 H new ATOM 0 HH11 ARG A 121 15.903 27.539 -14.132 1.00 0.00 H new ATOM 0 HH12 ARG A 121 17.382 27.611 -15.096 1.00 0.00 H new ATOM 0 HH21 ARG A 121 16.849 24.501 -16.654 1.00 0.00 H new ATOM 0 HH22 ARG A 121 17.912 25.905 -16.512 1.00 0.00 H new