USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 804 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 Single : A 9 ASN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.404 K(o=-0.4,f=-3.2!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -34:sc= 0.634 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -155:sc= -3.82! (180deg=-3.97!) USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.021 USER MOD Single : A 38 ASN : amide:sc= -2.7! C(o=-2.7!,f=-13!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 170:sc= -0.0995 USER MOD Single : A 48 CYS SG : rot 26:sc= 0.55 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -116:sc= 0.0884 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.4!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.096) USER MOD Single : A 106 GLN : amide:sc= -0.004 X(o=-0.004,f=-0.025) USER MOD Single : A 109 ASN : amide:sc= 1.03 K(o=1,f=-0.73) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -2.26 X(o=-2.3,f=-2.1) USER MOD Single : A 118 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.69) USER MOD Single : A 119 ASN : amide:sc= -0.275 K(o=-0.27,f=-2.2!) USER MOD Single : A 122 CYS SG : rot -103:sc= -0.614 USER MOD Single : A 124 HIS : no HD1:sc= -1.65 X(o=-1.7,f=-1.4) USER MOD Single : A 125 MET CE :methyl -167:sc= -0.414 (180deg=-0.799) USER MOD Single : A 128 GLN : amide:sc= -0.0151 K(o=-0.015,f=-1) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -22.006 -11.558 -11.724 1.00 0.00 N ATOM 78 CA ASN A 9 -21.663 -10.774 -10.549 1.00 0.00 C ATOM 79 C ASN A 9 -20.261 -10.187 -10.726 1.00 0.00 C ATOM 80 O ASN A 9 -19.474 -10.681 -11.531 1.00 0.00 O ATOM 81 CB ASN A 9 -21.657 -11.642 -9.290 1.00 0.00 C ATOM 82 CG ASN A 9 -22.876 -12.566 -9.255 1.00 0.00 C ATOM 83 OD1 ASN A 9 -24.003 -12.159 -9.479 1.00 0.00 O ATOM 84 ND2 ASN A 9 -22.587 -13.831 -8.963 1.00 0.00 N ATOM 0 HA ASN A 9 -22.408 -9.986 -10.439 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.744 -12.237 -9.259 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -21.653 -11.005 -8.405 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -23.332 -14.527 -8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.621 -14.106 -8.786 1.00 0.00 H new ATOM 91 N PHE A 10 -19.992 -9.140 -9.959 1.00 0.00 N ATOM 92 CA PHE A 10 -18.699 -8.480 -10.020 1.00 0.00 C ATOM 93 C PHE A 10 -18.398 -7.742 -8.715 1.00 0.00 C ATOM 94 O PHE A 10 -19.243 -7.008 -8.203 1.00 0.00 O ATOM 95 CB PHE A 10 -18.768 -7.465 -11.163 1.00 0.00 C ATOM 96 CG PHE A 10 -19.505 -6.173 -10.803 1.00 0.00 C ATOM 97 CD1 PHE A 10 -18.889 -5.227 -10.046 1.00 0.00 C ATOM 98 CD2 PHE A 10 -20.777 -5.972 -11.240 1.00 0.00 C ATOM 99 CE1 PHE A 10 -19.573 -4.028 -9.712 1.00 0.00 C ATOM 100 CE2 PHE A 10 -21.461 -4.773 -10.907 1.00 0.00 C ATOM 101 CZ PHE A 10 -20.844 -3.826 -10.149 1.00 0.00 C ATOM 0 H PHE A 10 -20.648 -8.733 -9.292 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.912 -9.217 -10.178 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.754 -7.218 -11.477 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -19.263 -7.928 -12.017 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -17.879 -5.387 -9.698 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -21.267 -6.724 -11.840 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -19.083 -3.277 -9.111 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.471 -4.613 -11.255 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.364 -2.914 -9.895 1.00 0.00 H new ATOM 111 N LEU A 11 -17.191 -7.960 -8.213 1.00 0.00 N ATOM 112 CA LEU A 11 -16.768 -7.325 -6.977 1.00 0.00 C ATOM 113 C LEU A 11 -15.427 -6.623 -7.202 1.00 0.00 C ATOM 114 O LEU A 11 -14.395 -7.278 -7.338 1.00 0.00 O ATOM 115 CB LEU A 11 -16.746 -8.340 -5.832 1.00 0.00 C ATOM 116 CG LEU A 11 -16.028 -7.896 -4.556 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.977 -7.135 -3.629 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.373 -9.087 -3.854 1.00 0.00 C ATOM 0 H LEU A 11 -16.493 -8.568 -8.641 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.484 -6.559 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.775 -8.593 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.273 -9.254 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.230 -7.207 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.441 -6.831 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.356 -6.251 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.811 -7.780 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.869 -8.745 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.137 -9.818 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.646 -9.548 -4.522 1.00 0.00 H new ATOM 130 N GLU A 12 -15.486 -5.300 -7.235 1.00 0.00 N ATOM 131 CA GLU A 12 -14.289 -4.502 -7.442 1.00 0.00 C ATOM 132 C GLU A 12 -14.254 -3.332 -6.456 1.00 0.00 C ATOM 133 O GLU A 12 -15.284 -2.954 -5.900 1.00 0.00 O ATOM 134 CB GLU A 12 -14.204 -4.006 -8.886 1.00 0.00 C ATOM 135 CG GLU A 12 -14.058 -5.176 -9.861 1.00 0.00 C ATOM 136 CD GLU A 12 -12.674 -5.179 -10.512 1.00 0.00 C ATOM 137 OE1 GLU A 12 -12.292 -4.111 -11.038 1.00 0.00 O ATOM 138 OE2 GLU A 12 -12.028 -6.248 -10.468 1.00 0.00 O ATOM 0 H GLU A 12 -16.344 -4.760 -7.122 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.419 -5.132 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.099 -3.434 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.355 -3.331 -8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.217 -6.116 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.826 -5.110 -10.632 1.00 0.00 H new ATOM 145 N ILE A 13 -13.059 -2.792 -6.271 1.00 0.00 N ATOM 146 CA ILE A 13 -12.876 -1.673 -5.363 1.00 0.00 C ATOM 147 C ILE A 13 -11.996 -0.616 -6.033 1.00 0.00 C ATOM 148 O ILE A 13 -11.028 -0.950 -6.715 1.00 0.00 O ATOM 149 CB ILE A 13 -12.337 -2.158 -4.016 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.368 -3.027 -3.293 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.874 -0.982 -3.154 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.799 -4.414 -2.988 1.00 0.00 C ATOM 0 H ILE A 13 -12.207 -3.109 -6.735 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.833 -1.200 -5.145 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.464 -2.783 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.671 -2.542 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.262 -3.124 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.496 -1.355 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.082 -0.441 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.714 -0.311 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.552 -5.011 -2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.520 -4.906 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.919 -4.315 -2.352 1.00 0.00 H new ATOM 164 N ASP A 14 -12.363 0.638 -5.815 1.00 0.00 N ATOM 165 CA ASP A 14 -11.618 1.746 -6.389 1.00 0.00 C ATOM 166 C ASP A 14 -10.941 2.536 -5.268 1.00 0.00 C ATOM 167 O ASP A 14 -11.517 2.716 -4.195 1.00 0.00 O ATOM 168 CB ASP A 14 -12.546 2.699 -7.146 1.00 0.00 C ATOM 169 CG ASP A 14 -13.415 2.040 -8.219 1.00 0.00 C ATOM 170 OD1 ASP A 14 -14.121 1.073 -7.861 1.00 0.00 O ATOM 171 OD2 ASP A 14 -13.354 2.519 -9.372 1.00 0.00 O ATOM 0 H ASP A 14 -13.166 0.912 -5.249 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.881 1.335 -7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.197 3.195 -6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.941 3.474 -7.616 1.00 0.00 H new ATOM 176 N ILE A 15 -9.729 2.988 -5.554 1.00 0.00 N ATOM 177 CA ILE A 15 -8.967 3.754 -4.582 1.00 0.00 C ATOM 178 C ILE A 15 -8.323 4.955 -5.278 1.00 0.00 C ATOM 179 O ILE A 15 -7.304 4.813 -5.951 1.00 0.00 O ATOM 180 CB ILE A 15 -7.966 2.854 -3.856 1.00 0.00 C ATOM 181 CG1 ILE A 15 -8.649 1.594 -3.320 1.00 0.00 C ATOM 182 CG2 ILE A 15 -7.237 3.624 -2.753 1.00 0.00 C ATOM 183 CD1 ILE A 15 -7.927 1.065 -2.079 1.00 0.00 C ATOM 0 H ILE A 15 -9.256 2.839 -6.445 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.625 4.149 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.213 2.531 -4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.688 1.816 -3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.661 0.826 -4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.531 2.961 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.698 4.464 -3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.962 3.996 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.433 0.169 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.896 0.822 -2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.938 1.827 -1.299 1.00 0.00 H new ATOM 195 N PHE A 16 -8.945 6.110 -5.092 1.00 0.00 N ATOM 196 CA PHE A 16 -8.446 7.335 -5.694 1.00 0.00 C ATOM 197 C PHE A 16 -8.837 8.555 -4.858 1.00 0.00 C ATOM 198 O PHE A 16 -9.411 8.415 -3.780 1.00 0.00 O ATOM 199 CB PHE A 16 -9.091 7.449 -7.076 1.00 0.00 C ATOM 200 CG PHE A 16 -10.613 7.598 -7.042 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.405 6.492 -7.059 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.175 8.836 -6.994 1.00 0.00 C ATOM 203 CE1 PHE A 16 -12.818 6.630 -7.027 1.00 0.00 C ATOM 204 CE2 PHE A 16 -12.588 8.973 -6.962 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.379 7.868 -6.979 1.00 0.00 C ATOM 0 H PHE A 16 -9.790 6.223 -4.533 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.358 7.304 -5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.664 8.307 -7.595 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.836 6.564 -7.659 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.959 5.509 -7.097 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.547 9.714 -6.980 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.447 5.752 -7.041 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.034 9.956 -6.924 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.454 7.973 -6.954 1.00 0.00 H new ATOM 215 N ASN A 17 -8.509 9.725 -5.388 1.00 0.00 N ATOM 216 CA ASN A 17 -8.819 10.969 -4.705 1.00 0.00 C ATOM 217 C ASN A 17 -7.988 11.063 -3.424 1.00 0.00 C ATOM 218 O ASN A 17 -8.530 10.994 -2.321 1.00 0.00 O ATOM 219 CB ASN A 17 -10.297 11.030 -4.315 1.00 0.00 C ATOM 220 CG ASN A 17 -10.991 12.221 -4.979 1.00 0.00 C ATOM 221 OD1 ASN A 17 -10.399 12.976 -5.733 1.00 0.00 O ATOM 222 ND2 ASN A 17 -12.275 12.348 -4.657 1.00 0.00 N ATOM 0 H ASN A 17 -8.032 9.837 -6.282 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.591 11.792 -5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.793 10.105 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.388 11.109 -3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.826 13.113 -5.048 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.709 11.681 -4.019 1.00 0.00 H new ATOM 229 N PRO A 18 -6.651 11.223 -3.616 1.00 0.00 N ATOM 230 CA PRO A 18 -5.740 11.327 -2.489 1.00 0.00 C ATOM 231 C PRO A 18 -5.844 12.701 -1.825 1.00 0.00 C ATOM 232 O PRO A 18 -5.828 13.726 -2.505 1.00 0.00 O ATOM 233 CB PRO A 18 -4.363 11.050 -3.069 1.00 0.00 C ATOM 234 CG PRO A 18 -4.493 11.261 -4.569 1.00 0.00 C ATOM 235 CD PRO A 18 -5.975 11.308 -4.907 1.00 0.00 C ATOM 0 HA PRO A 18 -5.972 10.619 -1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.617 11.722 -2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.042 10.033 -2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.004 12.188 -4.868 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.003 10.453 -5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.233 12.229 -5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.259 10.482 -5.558 1.00 0.00 H new ATOM 243 N GLN A 19 -5.949 12.679 -0.504 1.00 0.00 N ATOM 244 CA GLN A 19 -6.055 13.910 0.259 1.00 0.00 C ATOM 245 C GLN A 19 -5.208 13.822 1.530 1.00 0.00 C ATOM 246 O GLN A 19 -5.269 12.829 2.254 1.00 0.00 O ATOM 247 CB GLN A 19 -7.515 14.223 0.594 1.00 0.00 C ATOM 248 CG GLN A 19 -7.661 15.648 1.133 1.00 0.00 C ATOM 249 CD GLN A 19 -9.131 15.995 1.374 1.00 0.00 C ATOM 250 OE1 GLN A 19 -9.998 15.741 0.554 1.00 0.00 O ATOM 251 NE2 GLN A 19 -9.363 16.588 2.542 1.00 0.00 N ATOM 0 H GLN A 19 -5.963 11.827 0.057 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.673 14.727 -0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.130 14.103 -0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.883 13.511 1.333 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.103 15.747 2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.228 16.355 0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.591 16.772 3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.313 16.859 2.797 1.00 0.00 H new ATOM 260 N THR A 20 -4.437 14.874 1.763 1.00 0.00 N ATOM 261 CA THR A 20 -3.578 14.928 2.934 1.00 0.00 C ATOM 262 C THR A 20 -4.249 15.729 4.051 1.00 0.00 C ATOM 263 O THR A 20 -5.038 16.634 3.783 1.00 0.00 O ATOM 264 CB THR A 20 -2.226 15.500 2.503 1.00 0.00 C ATOM 265 OG1 THR A 20 -1.708 14.527 1.601 1.00 0.00 O ATOM 266 CG2 THR A 20 -1.210 15.526 3.647 1.00 0.00 C ATOM 0 H THR A 20 -4.389 15.696 1.161 1.00 0.00 H new ATOM 0 HA THR A 20 -3.409 13.933 3.347 1.00 0.00 H new ATOM 0 HB THR A 20 -2.366 16.510 2.118 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.833 14.820 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.268 15.941 3.288 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.592 16.144 4.459 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.045 14.512 4.010 1.00 0.00 H new ATOM 412 N THR A 30 -4.968 10.081 2.492 1.00 0.00 N ATOM 413 CA THR A 30 -5.957 9.019 2.437 1.00 0.00 C ATOM 414 C THR A 30 -6.398 8.776 0.992 1.00 0.00 C ATOM 415 O THR A 30 -5.869 9.389 0.066 1.00 0.00 O ATOM 416 CB THR A 30 -7.110 9.398 3.368 1.00 0.00 C ATOM 417 OG1 THR A 30 -7.491 10.702 2.937 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.653 9.602 4.814 1.00 0.00 C ATOM 0 HA THR A 30 -5.540 8.072 2.781 1.00 0.00 H new ATOM 0 HB THR A 30 -7.873 8.620 3.335 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.699 11.188 2.626 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.510 9.869 5.432 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.209 8.680 5.189 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.914 10.402 4.853 1.00 0.00 H new ATOM 426 N TYR A 31 -7.363 7.880 0.844 1.00 0.00 N ATOM 427 CA TYR A 31 -7.881 7.549 -0.472 1.00 0.00 C ATOM 428 C TYR A 31 -9.363 7.175 -0.400 1.00 0.00 C ATOM 429 O TYR A 31 -9.810 6.580 0.579 1.00 0.00 O ATOM 430 CB TYR A 31 -7.084 6.332 -0.945 1.00 0.00 C ATOM 431 CG TYR A 31 -5.568 6.488 -0.804 1.00 0.00 C ATOM 432 CD1 TYR A 31 -4.847 7.139 -1.784 1.00 0.00 C ATOM 433 CD2 TYR A 31 -4.922 5.977 0.304 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.421 7.286 -1.651 1.00 0.00 C ATOM 435 CE2 TYR A 31 -3.496 6.124 0.437 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.816 6.771 -0.547 1.00 0.00 C ATOM 437 OH TYR A 31 -1.468 6.910 -0.422 1.00 0.00 O ATOM 0 H TYR A 31 -7.800 7.373 1.614 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.786 8.400 -1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.403 5.458 -0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.323 6.138 -1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.352 7.538 -2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.486 5.467 1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.845 7.794 -2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.978 5.729 1.299 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.173 6.495 0.415 1.00 0.00 H new ATOM 447 N GLU A 32 -10.084 7.541 -1.450 1.00 0.00 N ATOM 448 CA GLU A 32 -11.507 7.253 -1.518 1.00 0.00 C ATOM 449 C GLU A 32 -11.734 5.801 -1.944 1.00 0.00 C ATOM 450 O GLU A 32 -11.650 5.478 -3.128 1.00 0.00 O ATOM 451 CB GLU A 32 -12.218 8.220 -2.465 1.00 0.00 C ATOM 452 CG GLU A 32 -12.673 9.479 -1.724 1.00 0.00 C ATOM 453 CD GLU A 32 -14.183 9.684 -1.868 1.00 0.00 C ATOM 454 OE1 GLU A 32 -14.631 9.807 -3.028 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.854 9.714 -0.814 1.00 0.00 O ATOM 0 H GLU A 32 -9.709 8.034 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.934 7.391 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.548 8.495 -3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.080 7.727 -2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.412 9.399 -0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.145 10.348 -2.117 1.00 0.00 H new ATOM 462 N VAL A 33 -12.018 4.965 -0.957 1.00 0.00 N ATOM 463 CA VAL A 33 -12.257 3.555 -1.215 1.00 0.00 C ATOM 464 C VAL A 33 -13.729 3.351 -1.581 1.00 0.00 C ATOM 465 O VAL A 33 -14.569 3.158 -0.704 1.00 0.00 O ATOM 466 CB VAL A 33 -11.820 2.720 -0.010 1.00 0.00 C ATOM 467 CG1 VAL A 33 -11.766 1.233 -0.364 1.00 0.00 C ATOM 468 CG2 VAL A 33 -10.474 3.204 0.533 1.00 0.00 C ATOM 0 H VAL A 33 -12.088 5.237 0.024 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.660 3.215 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.564 2.850 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.453 0.662 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.754 0.898 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.053 1.077 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.186 2.594 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.716 3.118 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.560 4.246 0.842 1.00 0.00 H new ATOM 478 N ARG A 34 -13.996 3.402 -2.878 1.00 0.00 N ATOM 479 CA ARG A 34 -15.351 3.225 -3.370 1.00 0.00 C ATOM 480 C ARG A 34 -15.528 1.819 -3.946 1.00 0.00 C ATOM 481 O ARG A 34 -15.116 1.550 -5.074 1.00 0.00 O ATOM 482 CB ARG A 34 -15.684 4.257 -4.450 1.00 0.00 C ATOM 483 CG ARG A 34 -17.191 4.313 -4.710 1.00 0.00 C ATOM 484 CD ARG A 34 -17.523 5.346 -5.788 1.00 0.00 C ATOM 485 NE ARG A 34 -18.388 6.406 -5.224 1.00 0.00 N ATOM 486 CZ ARG A 34 -19.008 7.340 -5.958 1.00 0.00 C ATOM 487 NH1 ARG A 34 -18.862 7.351 -7.290 1.00 0.00 N ATOM 488 NH2 ARG A 34 -19.773 8.263 -5.360 1.00 0.00 N ATOM 0 H ARG A 34 -13.297 3.563 -3.603 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.030 3.364 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.328 5.240 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.161 4.004 -5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.547 3.331 -5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.714 4.564 -3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.605 5.784 -6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.026 4.862 -6.625 1.00 0.00 H new ATOM 0 HE ARG A 34 -18.521 6.427 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.279 6.648 -7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.334 8.062 -7.849 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.883 8.255 -4.346 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.245 8.974 -5.919 1.00 0.00 H new ATOM 502 N MET A 35 -16.140 0.959 -3.146 1.00 0.00 N ATOM 503 CA MET A 35 -16.375 -0.413 -3.562 1.00 0.00 C ATOM 504 C MET A 35 -17.758 -0.563 -4.199 1.00 0.00 C ATOM 505 O MET A 35 -18.673 0.201 -3.893 1.00 0.00 O ATOM 506 CB MET A 35 -16.268 -1.341 -2.350 1.00 0.00 C ATOM 507 CG MET A 35 -16.715 -2.760 -2.704 1.00 0.00 C ATOM 508 SD MET A 35 -18.482 -2.913 -2.497 1.00 0.00 S ATOM 509 CE MET A 35 -18.535 -3.928 -1.030 1.00 0.00 C ATOM 0 H MET A 35 -16.480 1.186 -2.212 1.00 0.00 H new ATOM 0 HA MET A 35 -15.622 -0.682 -4.303 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.239 -1.359 -1.991 1.00 0.00 H new ATOM 0 HB3 MET A 35 -16.882 -0.955 -1.537 1.00 0.00 H new ATOM 0 HG2 MET A 35 -16.440 -2.991 -3.733 1.00 0.00 H new ATOM 0 HG3 MET A 35 -16.202 -3.481 -2.068 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.475 -4.480 -1.003 1.00 0.00 H new ATOM 0 HE2 MET A 35 -17.702 -4.631 -1.043 1.00 0.00 H new ATOM 0 HE3 MET A 35 -18.461 -3.294 -0.146 1.00 0.00 H new ATOM 519 N ARG A 36 -17.868 -1.553 -5.073 1.00 0.00 N ATOM 520 CA ARG A 36 -19.125 -1.813 -5.755 1.00 0.00 C ATOM 521 C ARG A 36 -19.274 -3.309 -6.042 1.00 0.00 C ATOM 522 O ARG A 36 -18.498 -3.877 -6.809 1.00 0.00 O ATOM 523 CB ARG A 36 -19.207 -1.038 -7.072 1.00 0.00 C ATOM 524 CG ARG A 36 -20.066 0.219 -6.915 1.00 0.00 C ATOM 525 CD ARG A 36 -21.058 0.353 -8.072 1.00 0.00 C ATOM 526 NE ARG A 36 -22.088 1.363 -7.742 1.00 0.00 N ATOM 527 CZ ARG A 36 -23.020 1.794 -8.602 1.00 0.00 C ATOM 528 NH1 ARG A 36 -23.058 1.306 -9.849 1.00 0.00 N ATOM 529 NH2 ARG A 36 -23.915 2.713 -8.215 1.00 0.00 N ATOM 0 H ARG A 36 -17.108 -2.185 -5.325 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.932 -1.483 -5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.205 -0.760 -7.398 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.629 -1.676 -7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.607 0.178 -5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.425 1.100 -6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -20.531 0.642 -8.981 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -21.531 -0.609 -8.270 1.00 0.00 H new ATOM 0 HE ARG A 36 -22.088 1.756 -6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -22.377 0.606 -10.144 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -23.768 1.634 -10.504 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.887 3.084 -7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.625 3.041 -8.870 1.00 0.00 H new ATOM 543 N THR A 37 -20.275 -3.903 -5.410 1.00 0.00 N ATOM 544 CA THR A 37 -20.536 -5.321 -5.588 1.00 0.00 C ATOM 545 C THR A 37 -22.034 -5.569 -5.772 1.00 0.00 C ATOM 546 O THR A 37 -22.855 -4.721 -5.425 1.00 0.00 O ATOM 547 CB THR A 37 -19.939 -6.065 -4.392 1.00 0.00 C ATOM 548 OG1 THR A 37 -19.977 -7.435 -4.781 1.00 0.00 O ATOM 549 CG2 THR A 37 -20.839 -6.003 -3.156 1.00 0.00 C ATOM 0 H THR A 37 -20.915 -3.428 -4.774 1.00 0.00 H new ATOM 0 HA THR A 37 -20.063 -5.700 -6.494 1.00 0.00 H new ATOM 0 HB THR A 37 -18.963 -5.643 -4.152 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.917 -8.003 -3.985 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.369 -6.546 -2.336 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.986 -4.963 -2.865 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.804 -6.456 -3.385 1.00 0.00 H new ATOM 557 N ASN A 38 -22.346 -6.736 -6.316 1.00 0.00 N ATOM 558 CA ASN A 38 -23.731 -7.107 -6.550 1.00 0.00 C ATOM 559 C ASN A 38 -24.030 -8.425 -5.834 1.00 0.00 C ATOM 560 O ASN A 38 -24.898 -9.185 -6.261 1.00 0.00 O ATOM 561 CB ASN A 38 -24.003 -7.307 -8.042 1.00 0.00 C ATOM 562 CG ASN A 38 -22.794 -7.932 -8.741 1.00 0.00 C ATOM 563 OD1 ASN A 38 -21.967 -8.592 -8.134 1.00 0.00 O ATOM 564 ND2 ASN A 38 -22.739 -7.688 -10.047 1.00 0.00 N ATOM 0 H ASN A 38 -21.663 -7.437 -6.602 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.363 -6.303 -6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -24.875 -7.948 -8.174 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -24.239 -6.348 -8.504 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.970 -8.062 -10.604 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -23.465 -7.127 -10.492 1.00 0.00 H new ATOM 571 N LEU A 39 -23.295 -8.656 -4.756 1.00 0.00 N ATOM 572 CA LEU A 39 -23.470 -9.869 -3.976 1.00 0.00 C ATOM 573 C LEU A 39 -24.233 -9.539 -2.692 1.00 0.00 C ATOM 574 O LEU A 39 -24.178 -8.410 -2.206 1.00 0.00 O ATOM 575 CB LEU A 39 -22.121 -10.549 -3.733 1.00 0.00 C ATOM 576 CG LEU A 39 -21.220 -10.708 -4.958 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.854 -11.276 -4.565 1.00 0.00 C ATOM 578 CD2 LEU A 39 -21.902 -11.553 -6.036 1.00 0.00 C ATOM 0 H LEU A 39 -22.577 -8.023 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 39 -24.071 -10.593 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.579 -9.977 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -22.305 -11.537 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 39 -21.048 -9.720 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.233 -11.379 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.369 -10.601 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.986 -12.253 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -21.239 -11.650 -6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -22.125 -12.542 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -22.829 -11.070 -6.345 1.00 0.00 H new ATOM 590 N PRO A 40 -24.945 -10.571 -2.165 1.00 0.00 N ATOM 591 CA PRO A 40 -25.718 -10.401 -0.946 1.00 0.00 C ATOM 592 C PRO A 40 -24.805 -10.359 0.281 1.00 0.00 C ATOM 593 O PRO A 40 -25.054 -9.604 1.219 1.00 0.00 O ATOM 594 CB PRO A 40 -26.685 -11.574 -0.927 1.00 0.00 C ATOM 595 CG PRO A 40 -26.109 -12.604 -1.885 1.00 0.00 C ATOM 596 CD PRO A 40 -25.033 -11.921 -2.713 1.00 0.00 C ATOM 0 HA PRO A 40 -26.259 -9.455 -0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.780 -11.985 0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.682 -11.264 -1.240 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.690 -13.445 -1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.891 -13.004 -2.531 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -24.080 -12.444 -2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -25.299 -11.903 -3.770 1.00 0.00 H new ATOM 604 N ILE A 41 -23.766 -11.180 0.234 1.00 0.00 N ATOM 605 CA ILE A 41 -22.815 -11.247 1.330 1.00 0.00 C ATOM 606 C ILE A 41 -22.596 -9.842 1.896 1.00 0.00 C ATOM 607 O ILE A 41 -22.572 -9.655 3.111 1.00 0.00 O ATOM 608 CB ILE A 41 -21.525 -11.936 0.880 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.643 -10.978 0.076 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.832 -13.219 0.105 1.00 0.00 C ATOM 611 CD1 ILE A 41 -19.252 -11.573 -0.149 1.00 0.00 C ATOM 0 H ILE A 41 -23.562 -11.804 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.210 -11.860 2.140 1.00 0.00 H new ATOM 0 HB ILE A 41 -20.962 -12.222 1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.112 -10.766 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.555 -10.029 0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.899 -13.690 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -22.391 -13.904 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.426 -12.978 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.645 -10.873 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.777 -11.761 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -19.342 -12.510 -0.699 1.00 0.00 H new ATOM 623 N PHE A 42 -22.441 -8.890 0.987 1.00 0.00 N ATOM 624 CA PHE A 42 -22.224 -7.508 1.379 1.00 0.00 C ATOM 625 C PHE A 42 -23.551 -6.813 1.692 1.00 0.00 C ATOM 626 O PHE A 42 -24.497 -6.891 0.909 1.00 0.00 O ATOM 627 CB PHE A 42 -21.561 -6.805 0.194 1.00 0.00 C ATOM 628 CG PHE A 42 -20.113 -7.233 -0.053 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.849 -8.346 -0.790 1.00 0.00 C ATOM 630 CD2 PHE A 42 -19.090 -6.502 0.464 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.505 -8.743 -1.019 1.00 0.00 C ATOM 632 CE2 PHE A 42 -17.746 -6.899 0.235 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.482 -8.012 -0.502 1.00 0.00 C ATOM 0 H PHE A 42 -22.461 -9.049 -0.020 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.603 -7.468 2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.145 -7.001 -0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.587 -5.728 0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.661 -8.927 -1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.300 -5.619 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.295 -9.626 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -16.934 -6.318 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.460 -8.315 -0.676 1.00 0.00 H new ATOM 643 N LYS A 43 -23.579 -6.150 2.839 1.00 0.00 N ATOM 644 CA LYS A 43 -24.774 -5.441 3.265 1.00 0.00 C ATOM 645 C LYS A 43 -25.014 -4.250 2.335 1.00 0.00 C ATOM 646 O LYS A 43 -26.119 -4.070 1.825 1.00 0.00 O ATOM 647 CB LYS A 43 -24.671 -5.058 4.742 1.00 0.00 C ATOM 648 CG LYS A 43 -25.953 -4.374 5.222 1.00 0.00 C ATOM 649 CD LYS A 43 -26.641 -5.201 6.310 1.00 0.00 C ATOM 650 CE LYS A 43 -27.559 -4.325 7.166 1.00 0.00 C ATOM 651 NZ LYS A 43 -28.581 -5.154 7.844 1.00 0.00 N ATOM 0 H LYS A 43 -22.793 -6.089 3.487 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.649 -6.087 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.484 -5.950 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.822 -4.391 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -25.718 -3.382 5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -26.632 -4.236 4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -27.221 -6.002 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -25.890 -5.674 6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -26.969 -3.786 7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -28.046 -3.577 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -29.196 -4.545 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -29.154 -5.649 7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -28.112 -5.851 8.457 1.00 0.00 H new ATOM 665 N LEU A 44 -23.962 -3.468 2.143 1.00 0.00 N ATOM 666 CA LEU A 44 -24.045 -2.300 1.284 1.00 0.00 C ATOM 667 C LEU A 44 -23.512 -2.655 -0.105 1.00 0.00 C ATOM 668 O LEU A 44 -22.622 -3.494 -0.237 1.00 0.00 O ATOM 669 CB LEU A 44 -23.333 -1.109 1.929 1.00 0.00 C ATOM 670 CG LEU A 44 -23.506 -0.964 3.443 1.00 0.00 C ATOM 671 CD1 LEU A 44 -22.766 0.270 3.964 1.00 0.00 C ATOM 672 CD2 LEU A 44 -24.987 -0.949 3.827 1.00 0.00 C ATOM 0 H LEU A 44 -23.047 -3.621 2.568 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.083 -1.992 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.268 -1.186 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.691 -0.196 1.453 1.00 0.00 H new ATOM 0 HG LEU A 44 -23.058 -1.834 3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -22.905 0.350 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -21.703 0.178 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.162 1.163 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -25.082 -0.845 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.481 -0.110 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.455 -1.881 3.510 1.00 0.00 H new ATOM 684 N LYS A 45 -24.079 -1.998 -1.107 1.00 0.00 N ATOM 685 CA LYS A 45 -23.672 -2.234 -2.482 1.00 0.00 C ATOM 686 C LYS A 45 -22.478 -1.339 -2.817 1.00 0.00 C ATOM 687 O LYS A 45 -21.547 -1.767 -3.497 1.00 0.00 O ATOM 688 CB LYS A 45 -24.859 -2.056 -3.430 1.00 0.00 C ATOM 689 CG LYS A 45 -26.055 -2.896 -2.976 1.00 0.00 C ATOM 690 CD LYS A 45 -25.920 -4.344 -3.453 1.00 0.00 C ATOM 691 CE LYS A 45 -26.353 -4.481 -4.914 1.00 0.00 C ATOM 692 NZ LYS A 45 -27.407 -5.513 -5.048 1.00 0.00 N ATOM 0 H LYS A 45 -24.817 -1.303 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.343 -3.265 -2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.143 -1.004 -3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.569 -2.346 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.129 -2.873 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -26.976 -2.465 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.886 -4.672 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -26.529 -4.996 -2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -26.724 -3.524 -5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.494 -4.747 -5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -27.689 -5.593 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -27.041 -6.428 -4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -28.232 -5.243 -4.475 1.00 0.00 H new ATOM 706 N GLU A 46 -22.543 -0.111 -2.323 1.00 0.00 N ATOM 707 CA GLU A 46 -21.478 0.849 -2.561 1.00 0.00 C ATOM 708 C GLU A 46 -21.345 1.800 -1.370 1.00 0.00 C ATOM 709 O GLU A 46 -22.344 2.188 -0.766 1.00 0.00 O ATOM 710 CB GLU A 46 -21.719 1.624 -3.858 1.00 0.00 C ATOM 711 CG GLU A 46 -20.493 2.459 -4.234 1.00 0.00 C ATOM 712 CD GLU A 46 -20.899 3.705 -5.023 1.00 0.00 C ATOM 713 OE1 GLU A 46 -21.062 3.568 -6.255 1.00 0.00 O ATOM 714 OE2 GLU A 46 -21.037 4.766 -4.378 1.00 0.00 O ATOM 0 H GLU A 46 -23.317 0.241 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.541 0.303 -2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -21.950 0.928 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -22.585 2.275 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -19.959 2.754 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -19.806 1.856 -4.828 1.00 0.00 H new ATOM 721 N SER A 47 -20.103 2.149 -1.068 1.00 0.00 N ATOM 722 CA SER A 47 -19.826 3.047 0.040 1.00 0.00 C ATOM 723 C SER A 47 -18.476 3.736 -0.170 1.00 0.00 C ATOM 724 O SER A 47 -17.718 3.365 -1.066 1.00 0.00 O ATOM 725 CB SER A 47 -19.838 2.297 1.373 1.00 0.00 C ATOM 726 OG SER A 47 -19.751 3.184 2.485 1.00 0.00 O ATOM 0 H SER A 47 -19.277 1.826 -1.572 1.00 0.00 H new ATOM 0 HA SER A 47 -20.611 3.803 0.073 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.752 1.708 1.450 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.004 1.596 1.402 1.00 0.00 H new ATOM 0 HG SER A 47 -19.923 2.689 3.313 1.00 0.00 H new ATOM 732 N CYS A 48 -18.216 4.726 0.671 1.00 0.00 N ATOM 733 CA CYS A 48 -16.970 5.470 0.589 1.00 0.00 C ATOM 734 C CYS A 48 -16.420 5.644 2.006 1.00 0.00 C ATOM 735 O CYS A 48 -17.132 6.100 2.900 1.00 0.00 O ATOM 736 CB CYS A 48 -17.159 6.813 -0.119 1.00 0.00 C ATOM 737 SG CYS A 48 -18.259 7.892 0.869 1.00 0.00 S ATOM 0 H CYS A 48 -18.847 5.030 1.413 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.251 4.915 -0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.193 7.297 -0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.585 6.654 -1.110 1.00 0.00 H new ATOM 0 HG CYS A 48 -18.187 7.554 2.122 1.00 0.00 H new ATOM 743 N VAL A 49 -15.159 5.271 2.167 1.00 0.00 N ATOM 744 CA VAL A 49 -14.506 5.380 3.461 1.00 0.00 C ATOM 745 C VAL A 49 -13.044 5.782 3.256 1.00 0.00 C ATOM 746 O VAL A 49 -12.556 5.810 2.127 1.00 0.00 O ATOM 747 CB VAL A 49 -14.663 4.072 4.238 1.00 0.00 C ATOM 748 CG1 VAL A 49 -16.128 3.824 4.604 1.00 0.00 C ATOM 749 CG2 VAL A 49 -14.088 2.893 3.451 1.00 0.00 C ATOM 0 H VAL A 49 -14.572 4.893 1.423 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.976 6.158 4.063 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.097 4.164 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.212 2.888 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -16.492 4.644 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.725 3.764 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.213 1.976 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.613 2.799 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.028 3.063 3.264 1.00 0.00 H new ATOM 759 N ARG A 50 -12.386 6.082 4.366 1.00 0.00 N ATOM 760 CA ARG A 50 -10.989 6.481 4.323 1.00 0.00 C ATOM 761 C ARG A 50 -10.103 5.376 4.900 1.00 0.00 C ATOM 762 O ARG A 50 -10.152 5.098 6.097 1.00 0.00 O ATOM 763 CB ARG A 50 -10.761 7.772 5.112 1.00 0.00 C ATOM 764 CG ARG A 50 -9.268 8.015 5.345 1.00 0.00 C ATOM 765 CD ARG A 50 -8.879 7.689 6.789 1.00 0.00 C ATOM 766 NE ARG A 50 -8.368 8.904 7.462 1.00 0.00 N ATOM 767 CZ ARG A 50 -9.148 9.825 8.044 1.00 0.00 C ATOM 768 NH1 ARG A 50 -10.479 9.675 8.040 1.00 0.00 N ATOM 769 NH2 ARG A 50 -8.596 10.896 8.631 1.00 0.00 N ATOM 0 H ARG A 50 -12.794 6.057 5.301 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.726 6.654 3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.190 8.615 4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.278 7.713 6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.684 7.400 4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.026 9.055 5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.743 7.301 7.328 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.118 6.909 6.802 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.359 9.049 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.899 8.860 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.073 10.376 8.483 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.582 11.010 8.635 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.190 11.597 9.074 1.00 0.00 H new ATOM 783 N ARG A 51 -9.314 4.775 4.021 1.00 0.00 N ATOM 784 CA ARG A 51 -8.418 3.705 4.428 1.00 0.00 C ATOM 785 C ARG A 51 -6.971 4.069 4.093 1.00 0.00 C ATOM 786 O ARG A 51 -6.666 4.437 2.959 1.00 0.00 O ATOM 787 CB ARG A 51 -8.781 2.390 3.736 1.00 0.00 C ATOM 788 CG ARG A 51 -10.079 1.811 4.303 1.00 0.00 C ATOM 789 CD ARG A 51 -9.855 1.228 5.700 1.00 0.00 C ATOM 790 NE ARG A 51 -11.123 1.243 6.463 1.00 0.00 N ATOM 791 CZ ARG A 51 -11.202 1.086 7.791 1.00 0.00 C ATOM 792 NH1 ARG A 51 -10.087 0.902 8.512 1.00 0.00 N ATOM 793 NH2 ARG A 51 -12.396 1.113 8.399 1.00 0.00 N ATOM 0 H ARG A 51 -9.276 5.008 3.029 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.523 3.575 5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.891 2.557 2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.971 1.672 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.840 2.590 4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.457 1.035 3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.480 0.208 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.097 1.807 6.227 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.991 1.382 5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.178 0.882 8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.147 0.783 9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.245 1.253 7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.456 0.993 9.410 1.00 0.00 H new ATOM 807 N ARG A 52 -6.116 3.953 5.099 1.00 0.00 N ATOM 808 CA ARG A 52 -4.708 4.265 4.924 1.00 0.00 C ATOM 809 C ARG A 52 -3.910 2.987 4.658 1.00 0.00 C ATOM 810 O ARG A 52 -4.364 1.889 4.979 1.00 0.00 O ATOM 811 CB ARG A 52 -4.141 4.963 6.162 1.00 0.00 C ATOM 812 CG ARG A 52 -4.691 6.384 6.290 1.00 0.00 C ATOM 813 CD ARG A 52 -4.989 6.727 7.752 1.00 0.00 C ATOM 814 NE ARG A 52 -5.893 5.712 8.336 1.00 0.00 N ATOM 815 CZ ARG A 52 -6.191 5.632 9.640 1.00 0.00 C ATOM 816 NH1 ARG A 52 -5.659 6.508 10.503 1.00 0.00 N ATOM 817 NH2 ARG A 52 -7.022 4.678 10.080 1.00 0.00 N ATOM 0 H ARG A 52 -6.372 3.647 6.038 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.621 4.936 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.393 4.390 7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.053 4.994 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.970 7.095 5.886 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.601 6.481 5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.060 6.769 8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.447 7.714 7.816 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.316 5.030 7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.028 7.235 10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.885 6.448 11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.428 4.012 9.422 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.249 4.617 11.073 1.00 0.00 H new ATOM 831 N TYR A 53 -2.736 3.171 4.073 1.00 0.00 N ATOM 832 CA TYR A 53 -1.871 2.047 3.759 1.00 0.00 C ATOM 833 C TYR A 53 -1.609 1.193 5.002 1.00 0.00 C ATOM 834 O TYR A 53 -1.216 0.033 4.891 1.00 0.00 O ATOM 835 CB TYR A 53 -0.549 2.651 3.282 1.00 0.00 C ATOM 836 CG TYR A 53 0.608 1.652 3.226 1.00 0.00 C ATOM 837 CD1 TYR A 53 0.612 0.653 2.274 1.00 0.00 C ATOM 838 CD2 TYR A 53 1.648 1.749 4.128 1.00 0.00 C ATOM 839 CE1 TYR A 53 1.701 -0.288 2.221 1.00 0.00 C ATOM 840 CE2 TYR A 53 2.737 0.809 4.075 1.00 0.00 C ATOM 841 CZ TYR A 53 2.710 -0.163 3.124 1.00 0.00 C ATOM 842 OH TYR A 53 3.738 -1.052 3.074 1.00 0.00 O ATOM 0 H TYR A 53 -2.363 4.083 3.808 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.332 1.406 3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.694 3.079 2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.276 3.471 3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.202 0.577 1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.645 2.530 4.874 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.716 -1.075 1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.557 0.874 4.775 1.00 0.00 H new ATOM 0 HH TYR A 53 4.387 -0.841 3.777 1.00 0.00 H new ATOM 852 N SER A 54 -1.837 1.801 6.157 1.00 0.00 N ATOM 853 CA SER A 54 -1.630 1.112 7.419 1.00 0.00 C ATOM 854 C SER A 54 -2.839 0.230 7.737 1.00 0.00 C ATOM 855 O SER A 54 -2.684 -0.945 8.067 1.00 0.00 O ATOM 856 CB SER A 54 -1.385 2.106 8.556 1.00 0.00 C ATOM 857 OG SER A 54 -0.018 2.504 8.632 1.00 0.00 O ATOM 0 H SER A 54 -2.163 2.763 6.245 1.00 0.00 H new ATOM 0 HA SER A 54 -0.744 0.484 7.325 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.011 2.986 8.409 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.685 1.656 9.502 1.00 0.00 H new ATOM 0 HG SER A 54 0.097 3.140 9.369 1.00 0.00 H new ATOM 863 N ASP A 55 -4.015 0.830 7.627 1.00 0.00 N ATOM 864 CA ASP A 55 -5.249 0.113 7.899 1.00 0.00 C ATOM 865 C ASP A 55 -5.211 -1.245 7.195 1.00 0.00 C ATOM 866 O ASP A 55 -5.633 -2.253 7.760 1.00 0.00 O ATOM 867 CB ASP A 55 -6.461 0.884 7.374 1.00 0.00 C ATOM 868 CG ASP A 55 -6.966 2.000 8.291 1.00 0.00 C ATOM 869 OD1 ASP A 55 -6.367 2.156 9.377 1.00 0.00 O ATOM 870 OD2 ASP A 55 -7.939 2.671 7.886 1.00 0.00 O ATOM 0 H ASP A 55 -4.139 1.805 7.353 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.338 -0.007 8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.206 1.317 6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.275 0.179 7.203 1.00 0.00 H new ATOM 875 N PHE A 56 -4.701 -1.228 5.973 1.00 0.00 N ATOM 876 CA PHE A 56 -4.602 -2.445 5.186 1.00 0.00 C ATOM 877 C PHE A 56 -3.670 -3.457 5.856 1.00 0.00 C ATOM 878 O PHE A 56 -3.985 -4.644 5.927 1.00 0.00 O ATOM 879 CB PHE A 56 -4.018 -2.053 3.827 1.00 0.00 C ATOM 880 CG PHE A 56 -5.041 -1.457 2.859 1.00 0.00 C ATOM 881 CD1 PHE A 56 -5.887 -2.274 2.176 1.00 0.00 C ATOM 882 CD2 PHE A 56 -5.104 -0.110 2.680 1.00 0.00 C ATOM 883 CE1 PHE A 56 -6.837 -1.720 1.277 1.00 0.00 C ATOM 884 CE2 PHE A 56 -6.054 0.443 1.782 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.900 -0.373 1.099 1.00 0.00 C ATOM 0 H PHE A 56 -4.352 -0.390 5.508 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.585 -2.906 5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.216 -1.331 3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.569 -2.934 3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.837 -3.344 2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.431 0.539 3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.509 -2.368 0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.105 1.513 1.641 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.622 0.048 0.415 1.00 0.00 H new ATOM 895 N GLU A 57 -2.541 -2.950 6.329 1.00 0.00 N ATOM 896 CA GLU A 57 -1.561 -3.795 6.991 1.00 0.00 C ATOM 897 C GLU A 57 -2.212 -4.557 8.147 1.00 0.00 C ATOM 898 O GLU A 57 -1.702 -5.590 8.579 1.00 0.00 O ATOM 899 CB GLU A 57 -0.368 -2.971 7.480 1.00 0.00 C ATOM 900 CG GLU A 57 0.832 -3.134 6.544 1.00 0.00 C ATOM 901 CD GLU A 57 2.148 -3.029 7.317 1.00 0.00 C ATOM 902 OE1 GLU A 57 2.278 -3.765 8.320 1.00 0.00 O ATOM 903 OE2 GLU A 57 2.994 -2.216 6.888 1.00 0.00 O ATOM 0 H GLU A 57 -2.283 -1.965 6.267 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.188 -4.520 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.648 -1.919 7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.093 -3.284 8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.777 -4.100 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.800 -2.369 5.768 1.00 0.00 H new ATOM 910 N TRP A 58 -3.328 -4.018 8.615 1.00 0.00 N ATOM 911 CA TRP A 58 -4.053 -4.635 9.713 1.00 0.00 C ATOM 912 C TRP A 58 -5.017 -5.666 9.123 1.00 0.00 C ATOM 913 O TRP A 58 -5.217 -6.735 9.697 1.00 0.00 O ATOM 914 CB TRP A 58 -4.757 -3.579 10.567 1.00 0.00 C ATOM 915 CG TRP A 58 -5.729 -4.158 11.597 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.544 -4.299 12.917 1.00 0.00 C ATOM 917 CD2 TRP A 58 -7.053 -4.671 11.337 1.00 0.00 C ATOM 918 NE1 TRP A 58 -6.648 -4.863 13.524 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.594 -5.097 12.533 1.00 0.00 C ATOM 920 CE3 TRP A 58 -7.769 -4.772 10.132 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -8.874 -5.653 12.640 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -9.047 -5.330 10.256 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.606 -5.763 11.452 1.00 0.00 C ATOM 0 H TRP A 58 -3.748 -3.161 8.254 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.367 -5.146 10.389 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.004 -2.986 11.086 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.301 -2.900 9.911 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.645 -4.008 13.440 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.751 -5.070 14.517 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.365 -4.445 9.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.275 -5.980 13.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.640 -5.431 9.359 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.601 -6.183 11.465 1.00 0.00 H new ATOM 934 N LEU A 59 -5.590 -5.309 7.982 1.00 0.00 N ATOM 935 CA LEU A 59 -6.528 -6.190 7.308 1.00 0.00 C ATOM 936 C LEU A 59 -5.798 -7.457 6.859 1.00 0.00 C ATOM 937 O LEU A 59 -6.207 -8.566 7.198 1.00 0.00 O ATOM 938 CB LEU A 59 -7.233 -5.450 6.169 1.00 0.00 C ATOM 939 CG LEU A 59 -7.457 -6.252 4.885 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.484 -7.364 5.105 1.00 0.00 C ATOM 941 CD2 LEU A 59 -7.846 -5.333 3.726 1.00 0.00 C ATOM 0 H LEU A 59 -5.422 -4.422 7.508 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.317 -6.502 7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.201 -5.104 6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.649 -4.563 5.923 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.517 -6.732 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.624 -7.918 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.127 -8.041 5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.434 -6.927 5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.999 -5.928 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.767 -4.805 3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.049 -4.610 3.552 1.00 0.00 H new ATOM 953 N LYS A 60 -4.731 -7.250 6.101 1.00 0.00 N ATOM 954 CA LYS A 60 -3.940 -8.362 5.602 1.00 0.00 C ATOM 955 C LYS A 60 -3.601 -9.302 6.761 1.00 0.00 C ATOM 956 O LYS A 60 -4.055 -10.444 6.792 1.00 0.00 O ATOM 957 CB LYS A 60 -2.713 -7.850 4.846 1.00 0.00 C ATOM 958 CG LYS A 60 -1.589 -8.889 4.857 1.00 0.00 C ATOM 959 CD LYS A 60 -0.657 -8.701 3.659 1.00 0.00 C ATOM 960 CE LYS A 60 0.292 -9.892 3.510 1.00 0.00 C ATOM 961 NZ LYS A 60 1.524 -9.675 4.303 1.00 0.00 N ATOM 0 H LYS A 60 -4.396 -6.328 5.820 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.512 -8.942 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.987 -7.616 3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.361 -6.924 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.019 -8.804 5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.016 -9.892 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.247 -8.585 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.080 -7.785 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.205 -10.804 3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.548 -10.031 2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.342 -9.616 3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.440 -8.788 4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.656 -10.468 4.963 1.00 0.00 H new ATOM 975 N ASN A 61 -2.804 -8.785 7.685 1.00 0.00 N ATOM 976 CA ASN A 61 -2.398 -9.564 8.843 1.00 0.00 C ATOM 977 C ASN A 61 -3.613 -10.306 9.404 1.00 0.00 C ATOM 978 O ASN A 61 -3.563 -11.518 9.610 1.00 0.00 O ATOM 979 CB ASN A 61 -1.844 -8.661 9.947 1.00 0.00 C ATOM 980 CG ASN A 61 -0.592 -9.272 10.578 1.00 0.00 C ATOM 981 OD1 ASN A 61 0.198 -9.940 9.931 1.00 0.00 O ATOM 982 ND2 ASN A 61 -0.455 -9.007 11.874 1.00 0.00 N ATOM 0 H ASN A 61 -2.429 -7.837 7.655 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.623 -10.262 8.526 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.606 -7.680 9.535 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.604 -8.509 10.713 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.349 -9.370 12.387 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.154 -8.441 12.355 1.00 0.00 H new ATOM 989 N GLU A 62 -4.674 -9.549 9.636 1.00 0.00 N ATOM 990 CA GLU A 62 -5.900 -10.120 10.169 1.00 0.00 C ATOM 991 C GLU A 62 -6.175 -11.481 9.526 1.00 0.00 C ATOM 992 O GLU A 62 -6.689 -12.387 10.179 1.00 0.00 O ATOM 993 CB GLU A 62 -7.081 -9.169 9.967 1.00 0.00 C ATOM 994 CG GLU A 62 -7.587 -8.630 11.306 1.00 0.00 C ATOM 995 CD GLU A 62 -8.043 -9.770 12.219 1.00 0.00 C ATOM 996 OE1 GLU A 62 -8.478 -10.802 11.664 1.00 0.00 O ATOM 997 OE2 GLU A 62 -7.946 -9.584 13.451 1.00 0.00 O ATOM 0 H GLU A 62 -4.711 -8.544 9.465 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.773 -10.266 11.242 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.779 -8.339 9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.888 -9.690 9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.796 -8.062 11.795 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.415 -7.942 11.136 1.00 0.00 H new ATOM 1004 N LEU A 63 -5.819 -11.581 8.254 1.00 0.00 N ATOM 1005 CA LEU A 63 -6.021 -12.816 7.515 1.00 0.00 C ATOM 1006 C LEU A 63 -4.869 -13.777 7.813 1.00 0.00 C ATOM 1007 O LEU A 63 -5.095 -14.929 8.180 1.00 0.00 O ATOM 1008 CB LEU A 63 -6.210 -12.524 6.025 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.533 -11.864 5.633 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -7.426 -11.191 4.264 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -8.685 -12.869 5.689 1.00 0.00 C ATOM 0 H LEU A 63 -5.392 -10.827 7.716 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.938 -13.308 7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.394 -11.881 5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.118 -13.462 5.477 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.752 -11.082 6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.380 -10.730 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.650 -10.426 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.171 -11.937 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.614 -12.374 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.486 -13.689 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.777 -13.261 6.702 1.00 0.00 H new ATOM 1023 N GLU A 64 -3.657 -13.268 7.643 1.00 0.00 N ATOM 1024 CA GLU A 64 -2.469 -14.067 7.889 1.00 0.00 C ATOM 1025 C GLU A 64 -2.504 -14.650 9.303 1.00 0.00 C ATOM 1026 O GLU A 64 -1.951 -15.720 9.551 1.00 0.00 O ATOM 1027 CB GLU A 64 -1.199 -13.244 7.666 1.00 0.00 C ATOM 1028 CG GLU A 64 -1.133 -12.713 6.232 1.00 0.00 C ATOM 1029 CD GLU A 64 0.298 -12.762 5.694 1.00 0.00 C ATOM 1030 OE1 GLU A 64 1.172 -12.156 6.351 1.00 0.00 O ATOM 1031 OE2 GLU A 64 0.486 -13.404 4.638 1.00 0.00 O ATOM 0 H GLU A 64 -3.473 -12.312 7.338 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.457 -14.893 7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.174 -12.410 8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.323 -13.859 7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.787 -13.305 5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.501 -11.687 6.203 1.00 0.00 H new ATOM 1107 N ILE A 69 -6.399 -19.009 3.736 1.00 0.00 N ATOM 1108 CA ILE A 69 -6.551 -17.939 2.764 1.00 0.00 C ATOM 1109 C ILE A 69 -5.167 -17.444 2.337 1.00 0.00 C ATOM 1110 O ILE A 69 -4.240 -17.410 3.145 1.00 0.00 O ATOM 1111 CB ILE A 69 -7.454 -16.836 3.319 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.864 -17.366 3.589 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -7.467 -15.620 2.391 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.864 -16.217 3.730 1.00 0.00 C ATOM 0 HA ILE A 69 -7.050 -18.306 1.867 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.045 -16.508 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.172 -18.023 2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.863 -17.966 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -8.116 -14.851 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.455 -15.227 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.839 -15.915 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.858 -16.621 3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.567 -15.576 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.881 -15.634 2.809 1.00 0.00 H new ATOM 1126 N VAL A 70 -5.072 -17.072 1.069 1.00 0.00 N ATOM 1127 CA VAL A 70 -3.818 -16.581 0.525 1.00 0.00 C ATOM 1128 C VAL A 70 -3.926 -15.073 0.287 1.00 0.00 C ATOM 1129 O VAL A 70 -4.519 -14.638 -0.699 1.00 0.00 O ATOM 1130 CB VAL A 70 -3.454 -17.361 -0.740 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -2.223 -16.759 -1.420 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -3.238 -18.843 -0.426 1.00 0.00 C ATOM 0 H VAL A 70 -5.844 -17.101 0.403 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.006 -16.741 1.234 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.291 -17.284 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.986 -17.332 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.429 -15.724 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.376 -16.791 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.980 -19.375 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.427 -18.948 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.152 -19.263 -0.007 1.00 0.00 H new ATOM 1142 N VAL A 71 -3.345 -14.318 1.207 1.00 0.00 N ATOM 1143 CA VAL A 71 -3.369 -12.868 1.110 1.00 0.00 C ATOM 1144 C VAL A 71 -2.224 -12.403 0.207 1.00 0.00 C ATOM 1145 O VAL A 71 -1.113 -12.923 0.290 1.00 0.00 O ATOM 1146 CB VAL A 71 -3.316 -12.249 2.508 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.616 -10.749 2.455 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -4.273 -12.966 3.462 1.00 0.00 C ATOM 0 H VAL A 71 -2.855 -14.683 2.024 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.300 -12.531 0.655 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.304 -12.375 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.572 -10.333 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.878 -10.252 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.612 -10.592 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.216 -12.506 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.292 -12.886 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.994 -14.017 3.535 1.00 0.00 H new ATOM 1158 N PRO A 72 -2.545 -11.404 -0.658 1.00 0.00 N ATOM 1159 CA PRO A 72 -1.557 -10.863 -1.576 1.00 0.00 C ATOM 1160 C PRO A 72 -0.565 -9.958 -0.843 1.00 0.00 C ATOM 1161 O PRO A 72 -0.817 -9.541 0.286 1.00 0.00 O ATOM 1162 CB PRO A 72 -2.363 -10.127 -2.634 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.734 -9.888 -2.021 1.00 0.00 C ATOM 1164 CD PRO A 72 -3.851 -10.765 -0.785 1.00 0.00 C ATOM 0 HA PRO A 72 -0.939 -11.637 -2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.886 -9.185 -2.903 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.441 -10.717 -3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.856 -8.838 -1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.520 -10.130 -2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.090 -10.174 0.099 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.644 -11.504 -0.898 1.00 0.00 H new ATOM 1172 N PRO A 73 0.572 -9.672 -1.533 1.00 0.00 N ATOM 1173 CA PRO A 73 1.602 -8.824 -0.960 1.00 0.00 C ATOM 1174 C PRO A 73 1.178 -7.354 -0.983 1.00 0.00 C ATOM 1175 O PRO A 73 0.508 -6.912 -1.915 1.00 0.00 O ATOM 1176 CB PRO A 73 2.845 -9.096 -1.792 1.00 0.00 C ATOM 1177 CG PRO A 73 2.351 -9.731 -3.082 1.00 0.00 C ATOM 1178 CD PRO A 73 0.904 -10.148 -2.873 1.00 0.00 C ATOM 0 HA PRO A 73 1.788 -9.041 0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.390 -8.174 -1.994 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.529 -9.762 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.429 -9.025 -3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.963 -10.595 -3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.251 -9.704 -3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.788 -11.229 -2.949 1.00 0.00 H new ATOM 1186 N LEU A 74 1.586 -6.637 0.054 1.00 0.00 N ATOM 1187 CA LEU A 74 1.256 -5.226 0.164 1.00 0.00 C ATOM 1188 C LEU A 74 2.307 -4.401 -0.583 1.00 0.00 C ATOM 1189 O LEU A 74 3.467 -4.799 -0.669 1.00 0.00 O ATOM 1190 CB LEU A 74 1.092 -4.827 1.632 1.00 0.00 C ATOM 1191 CG LEU A 74 -0.310 -4.998 2.220 1.00 0.00 C ATOM 1192 CD1 LEU A 74 -0.281 -4.893 3.746 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -1.291 -4.003 1.596 1.00 0.00 C ATOM 0 H LEU A 74 2.142 -7.007 0.825 1.00 0.00 H new ATOM 0 HA LEU A 74 0.295 -5.022 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.789 -5.416 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.385 -3.782 1.739 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.665 -5.999 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.290 -5.018 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.365 -5.671 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.103 -3.915 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.280 -4.146 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.952 -2.986 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.341 -4.168 0.520 1.00 0.00 H new ATOM 1205 N PRO A 75 1.850 -3.238 -1.118 1.00 0.00 N ATOM 1206 CA PRO A 75 2.737 -2.354 -1.855 1.00 0.00 C ATOM 1207 C PRO A 75 3.665 -1.593 -0.906 1.00 0.00 C ATOM 1208 O PRO A 75 3.283 -0.565 -0.350 1.00 0.00 O ATOM 1209 CB PRO A 75 1.814 -1.439 -2.644 1.00 0.00 C ATOM 1210 CG PRO A 75 0.456 -1.534 -1.968 1.00 0.00 C ATOM 1211 CD PRO A 75 0.482 -2.734 -1.036 1.00 0.00 C ATOM 0 HA PRO A 75 3.408 -2.893 -2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.182 -0.413 -2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.754 -1.750 -3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.243 -0.622 -1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.333 -1.645 -2.711 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.226 -2.449 -0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.238 -3.491 -1.346 1.00 0.00 H new ATOM 1219 N GLY A 76 4.867 -2.128 -0.751 1.00 0.00 N ATOM 1220 CA GLY A 76 5.853 -1.513 0.121 1.00 0.00 C ATOM 1221 C GLY A 76 6.746 -2.571 0.773 1.00 0.00 C ATOM 1222 O GLY A 76 6.275 -3.376 1.575 1.00 0.00 O ATOM 0 H GLY A 76 5.180 -2.981 -1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.466 -0.817 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.349 -0.932 0.893 1.00 0.00 H new ATOM 1512 N GLU A 94 4.005 12.637 -5.994 1.00 0.00 N ATOM 1513 CA GLU A 94 2.760 12.082 -6.500 1.00 0.00 C ATOM 1514 C GLU A 94 2.967 10.634 -6.948 1.00 0.00 C ATOM 1515 O GLU A 94 2.099 9.787 -6.743 1.00 0.00 O ATOM 1516 CB GLU A 94 2.205 12.935 -7.643 1.00 0.00 C ATOM 1517 CG GLU A 94 1.182 13.948 -7.124 1.00 0.00 C ATOM 1518 CD GLU A 94 0.421 14.600 -8.281 1.00 0.00 C ATOM 1519 OE1 GLU A 94 -0.554 13.970 -8.744 1.00 0.00 O ATOM 1520 OE2 GLU A 94 0.831 15.713 -8.674 1.00 0.00 O ATOM 0 HA GLU A 94 2.027 12.091 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.021 13.459 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.739 12.291 -8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.479 13.451 -6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.689 14.715 -6.539 1.00 0.00 H new ATOM 1527 N SER A 95 4.123 10.394 -7.550 1.00 0.00 N ATOM 1528 CA SER A 95 4.455 9.062 -8.028 1.00 0.00 C ATOM 1529 C SER A 95 4.308 8.047 -6.893 1.00 0.00 C ATOM 1530 O SER A 95 3.555 7.082 -7.012 1.00 0.00 O ATOM 1531 CB SER A 95 5.874 9.019 -8.598 1.00 0.00 C ATOM 1532 OG SER A 95 6.230 7.715 -9.046 1.00 0.00 O ATOM 0 H SER A 95 4.841 11.099 -7.718 1.00 0.00 H new ATOM 0 HA SER A 95 3.763 8.804 -8.829 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.953 9.721 -9.428 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.581 9.346 -7.835 1.00 0.00 H new ATOM 0 HG SER A 95 7.142 7.730 -9.404 1.00 0.00 H new ATOM 1538 N PHE A 96 5.039 8.300 -5.817 1.00 0.00 N ATOM 1539 CA PHE A 96 5.000 7.420 -4.662 1.00 0.00 C ATOM 1540 C PHE A 96 3.557 7.116 -4.253 1.00 0.00 C ATOM 1541 O PHE A 96 3.169 5.953 -4.150 1.00 0.00 O ATOM 1542 CB PHE A 96 5.698 8.155 -3.516 1.00 0.00 C ATOM 1543 CG PHE A 96 5.499 7.503 -2.146 1.00 0.00 C ATOM 1544 CD1 PHE A 96 6.166 6.359 -1.834 1.00 0.00 C ATOM 1545 CD2 PHE A 96 4.656 8.067 -1.240 1.00 0.00 C ATOM 1546 CE1 PHE A 96 5.982 5.754 -0.563 1.00 0.00 C ATOM 1547 CE2 PHE A 96 4.472 7.462 0.032 1.00 0.00 C ATOM 1548 CZ PHE A 96 5.139 6.318 0.343 1.00 0.00 C ATOM 0 H PHE A 96 5.662 9.102 -5.721 1.00 0.00 H new ATOM 0 HA PHE A 96 5.490 6.475 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.765 8.209 -3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.328 9.180 -3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.836 5.911 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.126 8.975 -1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.511 4.846 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.803 7.910 0.752 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.999 5.857 1.310 1.00 0.00 H new ATOM 1558 N ILE A 97 2.801 8.181 -4.031 1.00 0.00 N ATOM 1559 CA ILE A 97 1.410 8.043 -3.636 1.00 0.00 C ATOM 1560 C ILE A 97 0.712 7.059 -4.578 1.00 0.00 C ATOM 1561 O ILE A 97 0.335 5.963 -4.167 1.00 0.00 O ATOM 1562 CB ILE A 97 0.734 9.414 -3.567 1.00 0.00 C ATOM 1563 CG1 ILE A 97 1.222 10.205 -2.353 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -0.790 9.275 -3.587 1.00 0.00 C ATOM 1565 CD1 ILE A 97 1.477 11.669 -2.719 1.00 0.00 C ATOM 0 H ILE A 97 3.126 9.144 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 97 1.339 7.628 -2.631 1.00 0.00 H new ATOM 0 HB ILE A 97 1.017 9.980 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.480 10.149 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.138 9.758 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.246 10.264 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.098 8.779 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.113 8.683 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.823 12.209 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.237 11.722 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.553 12.120 -3.081 1.00 0.00 H new ATOM 1577 N GLU A 98 0.563 7.487 -5.823 1.00 0.00 N ATOM 1578 CA GLU A 98 -0.083 6.657 -6.826 1.00 0.00 C ATOM 1579 C GLU A 98 0.368 5.202 -6.682 1.00 0.00 C ATOM 1580 O GLU A 98 -0.461 4.296 -6.608 1.00 0.00 O ATOM 1581 CB GLU A 98 0.199 7.182 -8.235 1.00 0.00 C ATOM 1582 CG GLU A 98 -1.091 7.280 -9.052 1.00 0.00 C ATOM 1583 CD GLU A 98 -0.846 8.002 -10.379 1.00 0.00 C ATOM 1584 OE1 GLU A 98 0.319 7.979 -10.831 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -1.830 8.561 -10.910 1.00 0.00 O ATOM 0 H GLU A 98 0.878 8.397 -6.160 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.160 6.700 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.670 8.163 -8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.904 6.521 -8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.481 6.280 -9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.849 7.813 -8.478 1.00 0.00 H new ATOM 1592 N GLU A 99 1.680 5.024 -6.647 1.00 0.00 N ATOM 1593 CA GLU A 99 2.251 3.694 -6.513 1.00 0.00 C ATOM 1594 C GLU A 99 1.551 2.927 -5.390 1.00 0.00 C ATOM 1595 O GLU A 99 0.977 1.864 -5.624 1.00 0.00 O ATOM 1596 CB GLU A 99 3.760 3.768 -6.270 1.00 0.00 C ATOM 1597 CG GLU A 99 4.516 2.849 -7.232 1.00 0.00 C ATOM 1598 CD GLU A 99 5.508 1.962 -6.477 1.00 0.00 C ATOM 1599 OE1 GLU A 99 6.582 2.491 -6.116 1.00 0.00 O ATOM 1600 OE2 GLU A 99 5.171 0.775 -6.277 1.00 0.00 O ATOM 0 H GLU A 99 2.364 5.778 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 99 2.093 3.155 -7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.103 4.795 -6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.981 3.484 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.807 2.226 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.048 3.448 -7.971 1.00 0.00 H new ATOM 1607 N ARG A 100 1.623 3.494 -4.195 1.00 0.00 N ATOM 1608 CA ARG A 100 1.003 2.876 -3.035 1.00 0.00 C ATOM 1609 C ARG A 100 -0.517 2.833 -3.205 1.00 0.00 C ATOM 1610 O ARG A 100 -1.146 1.808 -2.943 1.00 0.00 O ATOM 1611 CB ARG A 100 1.345 3.641 -1.755 1.00 0.00 C ATOM 1612 CG ARG A 100 1.252 2.729 -0.530 1.00 0.00 C ATOM 1613 CD ARG A 100 2.204 3.195 0.574 1.00 0.00 C ATOM 1614 NE ARG A 100 3.564 2.669 0.325 1.00 0.00 N ATOM 1615 CZ ARG A 100 4.527 2.606 1.255 1.00 0.00 C ATOM 1616 NH1 ARG A 100 4.284 3.036 2.501 1.00 0.00 N ATOM 1617 NH2 ARG A 100 5.732 2.114 0.939 1.00 0.00 N ATOM 0 H ARG A 100 2.101 4.375 -4.005 1.00 0.00 H new ATOM 0 HA ARG A 100 1.391 1.861 -2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.351 4.053 -1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.664 4.484 -1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.229 2.722 -0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.494 1.705 -0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.227 4.284 0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.845 2.852 1.544 1.00 0.00 H new ATOM 0 HE ARG A 100 3.782 2.333 -0.613 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.366 3.411 2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.017 2.988 3.209 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.917 1.787 -0.009 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.465 2.066 1.647 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.063 3.958 -3.643 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.498 4.061 -3.851 1.00 0.00 C ATOM 1633 C ARG A 101 -2.986 2.927 -4.754 1.00 0.00 C ATOM 1634 O ARG A 101 -3.765 2.077 -4.323 1.00 0.00 O ATOM 1635 CB ARG A 101 -2.867 5.404 -4.486 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.383 5.539 -4.639 1.00 0.00 C ATOM 1637 CD ARG A 101 -4.746 6.832 -5.373 1.00 0.00 C ATOM 1638 NE ARG A 101 -5.364 6.515 -6.680 1.00 0.00 N ATOM 1639 CZ ARG A 101 -5.480 7.390 -7.688 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -5.022 8.641 -7.545 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -6.054 7.015 -8.839 1.00 0.00 N ATOM 0 H ARG A 101 -0.538 4.805 -3.859 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.981 3.987 -2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.486 6.219 -3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.390 5.492 -5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.775 4.683 -5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.854 5.530 -3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.435 7.422 -4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.853 7.439 -5.521 1.00 0.00 H new ATOM 0 HE ARG A 101 -5.724 5.571 -6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.585 8.927 -6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.110 9.307 -8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -6.403 6.063 -8.948 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -6.142 7.682 -9.606 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.510 2.949 -5.990 1.00 0.00 N ATOM 1656 CA GLN A 102 -2.888 1.933 -6.957 1.00 0.00 C ATOM 1657 C GLN A 102 -2.575 0.538 -6.411 1.00 0.00 C ATOM 1658 O GLN A 102 -3.368 -0.388 -6.574 1.00 0.00 O ATOM 1659 CB GLN A 102 -2.191 2.166 -8.299 1.00 0.00 C ATOM 1660 CG GLN A 102 -2.996 3.129 -9.174 1.00 0.00 C ATOM 1661 CD GLN A 102 -2.626 2.966 -10.650 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -2.678 1.885 -11.214 1.00 0.00 O ATOM 1663 NE2 GLN A 102 -2.252 4.097 -11.242 1.00 0.00 N ATOM 0 H GLN A 102 -1.865 3.655 -6.344 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.962 2.003 -7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -1.193 2.571 -8.129 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.066 1.216 -8.818 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.062 2.944 -9.040 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.809 4.156 -8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.231 4.968 -10.711 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.986 4.094 -12.227 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.418 0.433 -5.775 1.00 0.00 N ATOM 1673 CA GLY A 103 -0.990 -0.833 -5.205 1.00 0.00 C ATOM 1674 C GLY A 103 -2.098 -1.452 -4.351 1.00 0.00 C ATOM 1675 O GLY A 103 -2.521 -2.580 -4.598 1.00 0.00 O ATOM 0 H GLY A 103 -0.764 1.204 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.715 -1.521 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.099 -0.679 -4.596 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.537 -0.686 -3.362 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.588 -1.145 -2.470 1.00 0.00 C ATOM 1681 C LEU A 104 -4.795 -1.591 -3.298 1.00 0.00 C ATOM 1682 O LEU A 104 -5.228 -2.738 -3.201 1.00 0.00 O ATOM 1683 CB LEU A 104 -3.917 -0.070 -1.432 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.828 0.218 -0.396 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -3.070 1.562 0.294 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.711 -0.930 0.609 1.00 0.00 C ATOM 0 H LEU A 104 -2.184 0.249 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.253 -2.012 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.145 0.857 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.823 -0.368 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.872 0.290 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.282 1.743 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.064 2.359 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.036 1.543 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.930 -0.701 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.661 -1.058 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.458 -1.850 0.082 1.00 0.00 H new ATOM 1698 N GLU A 105 -5.304 -0.661 -4.092 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.452 -0.944 -4.936 1.00 0.00 C ATOM 1700 C GLU A 105 -6.334 -2.344 -5.542 1.00 0.00 C ATOM 1701 O GLU A 105 -7.287 -3.121 -5.509 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.604 0.116 -6.029 1.00 0.00 C ATOM 1703 CG GLU A 105 -8.049 0.186 -6.527 1.00 0.00 C ATOM 1704 CD GLU A 105 -8.098 0.296 -8.053 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -7.746 -0.711 -8.706 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -8.485 1.383 -8.531 1.00 0.00 O ATOM 0 H GLU A 105 -4.942 0.290 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.349 -0.912 -4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.301 1.089 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.940 -0.117 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.592 -0.703 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.550 1.045 -6.081 1.00 0.00 H new ATOM 1713 N GLN A 106 -5.156 -2.622 -6.081 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.901 -3.915 -6.694 1.00 0.00 C ATOM 1715 C GLN A 106 -5.039 -5.031 -5.656 1.00 0.00 C ATOM 1716 O GLN A 106 -5.868 -5.927 -5.809 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.520 -3.947 -7.352 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.635 -3.835 -8.873 1.00 0.00 C ATOM 1719 CD GLN A 106 -3.348 -5.180 -9.545 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -2.265 -5.733 -9.447 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -4.375 -5.672 -10.231 1.00 0.00 N ATOM 0 H GLN A 106 -4.368 -1.975 -6.106 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.644 -4.078 -7.475 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.911 -3.128 -6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.010 -4.874 -7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.636 -3.496 -9.142 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.935 -3.084 -9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.254 -5.157 -10.272 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.283 -6.565 -10.716 1.00 0.00 H new ATOM 1730 N PHE A 107 -4.215 -4.940 -4.623 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.235 -5.931 -3.560 1.00 0.00 C ATOM 1732 C PHE A 107 -5.670 -6.286 -3.169 1.00 0.00 C ATOM 1733 O PHE A 107 -6.064 -7.450 -3.231 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.530 -5.307 -2.354 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.829 -6.008 -1.027 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -4.919 -5.648 -0.298 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -3.004 -6.992 -0.577 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.196 -6.299 0.933 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.282 -7.643 0.654 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.372 -7.282 1.383 1.00 0.00 C ATOM 0 H PHE A 107 -3.529 -4.195 -4.499 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.741 -6.844 -3.893 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.454 -5.323 -2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.825 -4.261 -2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.574 -4.867 -0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.138 -7.278 -1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.062 -6.013 1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.628 -8.425 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.583 -7.777 2.320 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.413 -5.263 -2.775 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.797 -5.453 -2.373 1.00 0.00 C ATOM 1752 C ILE A 108 -8.595 -6.004 -3.556 1.00 0.00 C ATOM 1753 O ILE A 108 -9.392 -6.928 -3.395 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.370 -4.157 -1.796 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.639 -4.432 -0.987 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.605 -3.122 -2.898 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -9.300 -4.797 0.459 1.00 0.00 C ATOM 0 H ILE A 108 -6.083 -4.299 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.864 -6.189 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.636 -3.734 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.282 -3.552 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.200 -5.245 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.012 -2.211 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.660 -2.896 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.310 -3.521 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.220 -4.987 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.677 -5.691 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.761 -3.973 0.925 1.00 0.00 H new ATOM 1769 N ASN A 109 -8.354 -5.415 -4.718 1.00 0.00 N ATOM 1770 CA ASN A 109 -9.040 -5.837 -5.928 1.00 0.00 C ATOM 1771 C ASN A 109 -8.974 -7.361 -6.042 1.00 0.00 C ATOM 1772 O ASN A 109 -9.947 -8.000 -6.438 1.00 0.00 O ATOM 1773 CB ASN A 109 -8.380 -5.240 -7.172 1.00 0.00 C ATOM 1774 CG ASN A 109 -9.264 -4.159 -7.797 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -10.011 -4.396 -8.732 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -9.137 -2.962 -7.231 1.00 0.00 N ATOM 0 H ASN A 109 -7.693 -4.649 -4.848 1.00 0.00 H new ATOM 0 HA ASN A 109 -10.072 -5.493 -5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.412 -4.814 -6.906 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -8.192 -6.028 -7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.684 -2.174 -7.577 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.493 -2.833 -6.451 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.816 -7.899 -5.687 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.610 -9.336 -5.745 1.00 0.00 C ATOM 1785 C LYS A 110 -8.108 -9.971 -4.445 1.00 0.00 C ATOM 1786 O LYS A 110 -8.721 -11.038 -4.466 1.00 0.00 O ATOM 1787 CB LYS A 110 -6.149 -9.656 -6.066 1.00 0.00 C ATOM 1788 CG LYS A 110 -6.001 -10.169 -7.499 1.00 0.00 C ATOM 1789 CD LYS A 110 -5.232 -11.491 -7.532 1.00 0.00 C ATOM 1790 CE LYS A 110 -3.732 -11.257 -7.336 1.00 0.00 C ATOM 1791 NZ LYS A 110 -3.067 -12.503 -6.894 1.00 0.00 N ATOM 0 H LYS A 110 -7.011 -7.366 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.193 -9.772 -6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.539 -8.762 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.775 -10.405 -5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.987 -10.307 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.480 -9.426 -8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.606 -12.153 -6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.404 -11.993 -8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.287 -10.911 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.574 -10.471 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.050 -12.327 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.481 -12.816 -5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.202 -13.242 -7.613 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.826 -9.289 -3.345 1.00 0.00 N ATOM 1806 CA ILE A 111 -8.237 -9.773 -2.038 1.00 0.00 C ATOM 1807 C ILE A 111 -9.753 -9.984 -2.031 1.00 0.00 C ATOM 1808 O ILE A 111 -10.235 -11.031 -1.604 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.742 -8.832 -0.938 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.928 -9.594 0.110 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.905 -8.061 -0.311 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.801 -9.986 1.303 1.00 0.00 C ATOM 0 H ILE A 111 -7.318 -8.405 -3.332 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.779 -10.740 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.076 -8.097 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.497 -10.489 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.097 -8.976 0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.525 -7.400 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.405 -7.469 -1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.615 -8.764 0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.198 -10.526 2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.211 -9.088 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.617 -10.624 0.963 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.461 -8.971 -2.508 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.912 -9.032 -2.562 1.00 0.00 C ATOM 1826 C ALA A 112 -12.336 -10.256 -3.376 1.00 0.00 C ATOM 1827 O ALA A 112 -12.991 -11.157 -2.854 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.457 -7.727 -3.145 1.00 0.00 C ATOM 0 H ALA A 112 -10.057 -8.103 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.329 -9.141 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.545 -7.773 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.152 -6.892 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -12.062 -7.585 -4.151 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.947 -10.249 -4.642 1.00 0.00 N ATOM 1835 CA GLY A 113 -12.279 -11.348 -5.534 1.00 0.00 C ATOM 1836 C GLY A 113 -12.209 -12.689 -4.800 1.00 0.00 C ATOM 1837 O GLY A 113 -12.943 -13.620 -5.130 1.00 0.00 O ATOM 0 H GLY A 113 -11.405 -9.500 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.280 -11.203 -5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.591 -11.356 -6.380 1.00 0.00 H new ATOM 1841 N HIS A 114 -11.321 -12.745 -3.819 1.00 0.00 N ATOM 1842 CA HIS A 114 -11.146 -13.957 -3.036 1.00 0.00 C ATOM 1843 C HIS A 114 -12.478 -14.348 -2.392 1.00 0.00 C ATOM 1844 O HIS A 114 -13.148 -13.513 -1.788 1.00 0.00 O ATOM 1845 CB HIS A 114 -10.021 -13.786 -2.014 1.00 0.00 C ATOM 1846 CG HIS A 114 -9.245 -15.051 -1.737 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -9.587 -15.935 -0.729 1.00 0.00 N ATOM 1848 CD2 HIS A 114 -8.142 -15.572 -2.348 1.00 0.00 C ATOM 1849 CE1 HIS A 114 -8.721 -16.938 -0.740 1.00 0.00 C ATOM 1850 NE2 HIS A 114 -7.826 -16.711 -1.744 1.00 0.00 N ATOM 0 H HIS A 114 -10.715 -11.971 -3.548 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.843 -14.776 -3.689 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.332 -13.021 -2.372 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.446 -13.421 -1.079 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.615 -15.132 -3.182 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.723 -17.786 -0.071 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -7.043 -17.317 -1.990 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.830 -15.653 -2.548 1.00 0.00 N ATOM 1859 CA PRO A 115 -14.069 -16.165 -1.989 1.00 0.00 C ATOM 1860 C PRO A 115 -13.956 -16.341 -0.474 1.00 0.00 C ATOM 1861 O PRO A 115 -14.894 -16.039 0.262 1.00 0.00 O ATOM 1862 CB PRO A 115 -14.320 -17.473 -2.722 1.00 0.00 C ATOM 1863 CG PRO A 115 -12.985 -17.875 -3.326 1.00 0.00 C ATOM 1864 CD PRO A 115 -12.061 -16.670 -3.259 1.00 0.00 C ATOM 0 HA PRO A 115 -14.906 -15.480 -2.125 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.686 -18.239 -2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -15.077 -17.348 -3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.557 -18.715 -2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -13.115 -18.199 -4.359 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -11.137 -16.908 -2.732 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.781 -16.330 -4.256 1.00 0.00 H new ATOM 1872 N LEU A 116 -12.798 -16.828 -0.052 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.549 -17.048 1.363 1.00 0.00 C ATOM 1874 C LEU A 116 -12.632 -15.713 2.104 1.00 0.00 C ATOM 1875 O LEU A 116 -13.083 -15.660 3.247 1.00 0.00 O ATOM 1876 CB LEU A 116 -11.223 -17.784 1.566 1.00 0.00 C ATOM 1877 CG LEU A 116 -10.982 -18.994 0.662 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -9.911 -19.914 1.251 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -12.289 -19.740 0.384 1.00 0.00 C ATOM 0 H LEU A 116 -12.022 -17.076 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.315 -17.697 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.410 -17.074 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.169 -18.114 2.603 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.606 -18.635 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.759 -20.766 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.976 -19.364 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.234 -20.268 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.089 -20.596 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.717 -20.087 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.993 -19.070 -0.110 1.00 0.00 H new ATOM 1891 N ALA A 117 -12.189 -14.666 1.423 1.00 0.00 N ATOM 1892 CA ALA A 117 -12.206 -13.334 2.003 1.00 0.00 C ATOM 1893 C ALA A 117 -13.641 -12.801 2.003 1.00 0.00 C ATOM 1894 O ALA A 117 -14.123 -12.304 3.020 1.00 0.00 O ATOM 1895 CB ALA A 117 -11.248 -12.427 1.229 1.00 0.00 C ATOM 0 H ALA A 117 -11.816 -14.713 0.475 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.864 -13.362 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -11.261 -11.428 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.238 -12.833 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.561 -12.372 0.186 1.00 0.00 H new ATOM 1901 N GLN A 118 -14.283 -12.924 0.851 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.653 -12.461 0.704 1.00 0.00 C ATOM 1903 C GLN A 118 -16.489 -12.888 1.912 1.00 0.00 C ATOM 1904 O GLN A 118 -17.481 -12.241 2.245 1.00 0.00 O ATOM 1905 CB GLN A 118 -16.269 -12.975 -0.598 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.861 -12.096 -1.782 1.00 0.00 C ATOM 1907 CD GLN A 118 -16.401 -12.662 -3.097 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -17.356 -13.421 -3.131 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.739 -12.251 -4.175 1.00 0.00 N ATOM 0 H GLN A 118 -13.880 -13.338 0.010 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.645 -11.372 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.949 -14.002 -0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -17.355 -12.991 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -16.239 -11.084 -1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.774 -12.027 -1.831 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.948 -11.615 -4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -16.022 -12.572 -5.101 1.00 0.00 H new ATOM 1918 N ASN A 119 -16.058 -13.975 2.536 1.00 0.00 N ATOM 1919 CA ASN A 119 -16.755 -14.496 3.700 1.00 0.00 C ATOM 1920 C ASN A 119 -16.164 -13.870 4.965 1.00 0.00 C ATOM 1921 O ASN A 119 -16.893 -13.551 5.903 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.595 -16.014 3.804 1.00 0.00 C ATOM 1923 CG ASN A 119 -17.860 -16.661 4.370 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -18.951 -16.120 4.298 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -17.654 -17.848 4.935 1.00 0.00 N ATOM 0 H ASN A 119 -15.235 -14.509 2.257 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.812 -14.251 3.598 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -16.379 -16.429 2.819 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -15.744 -16.251 4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -18.436 -18.362 5.342 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -16.714 -18.244 4.961 1.00 0.00 H new ATOM 1932 N GLU A 120 -14.848 -13.714 4.950 1.00 0.00 N ATOM 1933 CA GLU A 120 -14.151 -13.132 6.084 1.00 0.00 C ATOM 1934 C GLU A 120 -14.869 -11.866 6.556 1.00 0.00 C ATOM 1935 O GLU A 120 -15.181 -10.989 5.752 1.00 0.00 O ATOM 1936 CB GLU A 120 -12.690 -12.837 5.738 1.00 0.00 C ATOM 1937 CG GLU A 120 -11.853 -14.117 5.759 1.00 0.00 C ATOM 1938 CD GLU A 120 -11.517 -14.529 7.194 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -10.959 -13.673 7.914 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -11.826 -15.690 7.539 1.00 0.00 O ATOM 0 H GLU A 120 -14.247 -13.981 4.171 1.00 0.00 H new ATOM 0 HA GLU A 120 -14.158 -13.855 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.632 -12.376 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.282 -12.119 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.399 -14.921 5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -10.932 -13.963 5.196 1.00 0.00 H new ATOM 1947 N ARG A 121 -15.109 -11.811 7.858 1.00 0.00 N ATOM 1948 CA ARG A 121 -15.785 -10.666 8.446 1.00 0.00 C ATOM 1949 C ARG A 121 -14.787 -9.534 8.699 1.00 0.00 C ATOM 1950 O ARG A 121 -15.176 -8.372 8.807 1.00 0.00 O ATOM 1951 CB ARG A 121 -16.462 -11.045 9.765 1.00 0.00 C ATOM 1952 CG ARG A 121 -17.773 -11.792 9.514 1.00 0.00 C ATOM 1953 CD ARG A 121 -18.871 -10.833 9.050 1.00 0.00 C ATOM 1954 NE ARG A 121 -20.187 -11.293 9.545 1.00 0.00 N ATOM 1955 CZ ARG A 121 -21.321 -10.589 9.431 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -21.306 -9.387 8.839 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -22.470 -11.085 9.910 1.00 0.00 N ATOM 0 H ARG A 121 -14.848 -12.540 8.522 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.547 -10.332 7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -15.791 -11.669 10.356 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -16.658 -10.146 10.349 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.617 -12.564 8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.088 -12.297 10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.666 -9.827 9.418 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -18.881 -10.778 7.961 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.234 -12.204 10.002 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.431 -9.008 8.475 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.169 -8.851 8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.482 -11.999 10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.333 -10.548 9.823 1.00 0.00 H new ATOM 1971 N CYS A 122 -13.521 -9.913 8.787 1.00 0.00 N ATOM 1972 CA CYS A 122 -12.465 -8.943 9.025 1.00 0.00 C ATOM 1973 C CYS A 122 -12.325 -8.069 7.777 1.00 0.00 C ATOM 1974 O CYS A 122 -11.879 -6.926 7.863 1.00 0.00 O ATOM 1975 CB CYS A 122 -11.145 -9.624 9.395 1.00 0.00 C ATOM 1976 SG CYS A 122 -10.722 -10.891 8.145 1.00 0.00 S ATOM 0 H CYS A 122 -13.202 -10.878 8.698 1.00 0.00 H new ATOM 0 HA CYS A 122 -12.728 -8.317 9.878 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -10.349 -8.882 9.457 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -11.228 -10.086 10.379 1.00 0.00 H new ATOM 0 HG CYS A 122 -10.990 -12.072 8.617 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.715 -8.639 6.647 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.639 -7.926 5.384 1.00 0.00 C ATOM 1984 C LEU A 123 -13.824 -6.964 5.274 1.00 0.00 C ATOM 1985 O LEU A 123 -13.637 -5.754 5.152 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.536 -8.911 4.217 1.00 0.00 C ATOM 1987 CG LEU A 123 -12.808 -8.334 2.826 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.574 -7.613 2.281 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.306 -9.420 1.870 1.00 0.00 C ATOM 0 H LEU A 123 -13.085 -9.587 6.580 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.733 -7.322 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.536 -9.344 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.237 -9.727 4.393 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.602 -7.592 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -11.794 -7.212 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.304 -6.797 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.743 -8.315 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -13.492 -8.984 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -12.551 -10.202 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.230 -9.849 2.257 1.00 0.00 H new ATOM 2001 N HIS A 124 -15.017 -7.538 5.321 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.232 -6.747 5.228 1.00 0.00 C ATOM 2003 C HIS A 124 -16.061 -5.449 6.020 1.00 0.00 C ATOM 2004 O HIS A 124 -16.251 -4.359 5.481 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.447 -7.561 5.679 1.00 0.00 C ATOM 2006 CG HIS A 124 -18.083 -8.376 4.578 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -18.856 -7.812 3.579 1.00 0.00 N ATOM 2008 CD2 HIS A 124 -18.051 -9.717 4.330 1.00 0.00 C ATOM 2009 CE1 HIS A 124 -19.267 -8.779 2.772 1.00 0.00 C ATOM 2010 NE2 HIS A 124 -18.768 -9.959 3.239 1.00 0.00 N ATOM 0 H HIS A 124 -15.168 -8.542 5.422 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.415 -6.476 4.188 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -17.144 -8.230 6.484 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.193 -6.882 6.092 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -17.531 -10.456 4.921 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -19.888 -8.655 1.897 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -18.920 -10.876 2.819 1.00 0.00 H new ATOM 2018 N MET A 125 -15.705 -5.608 7.286 1.00 0.00 N ATOM 2019 CA MET A 125 -15.506 -4.463 8.158 1.00 0.00 C ATOM 2020 C MET A 125 -14.663 -3.389 7.468 1.00 0.00 C ATOM 2021 O MET A 125 -15.084 -2.238 7.361 1.00 0.00 O ATOM 2022 CB MET A 125 -14.808 -4.914 9.442 1.00 0.00 C ATOM 2023 CG MET A 125 -15.355 -4.161 10.657 1.00 0.00 C ATOM 2024 SD MET A 125 -14.009 -3.460 11.597 1.00 0.00 S ATOM 2025 CE MET A 125 -13.308 -4.948 12.291 1.00 0.00 C ATOM 0 H MET A 125 -15.549 -6.513 7.729 1.00 0.00 H new ATOM 0 HA MET A 125 -16.481 -4.037 8.395 1.00 0.00 H new ATOM 0 HB2 MET A 125 -14.950 -5.986 9.580 1.00 0.00 H new ATOM 0 HB3 MET A 125 -13.735 -4.743 9.356 1.00 0.00 H new ATOM 0 HG2 MET A 125 -16.032 -3.371 10.331 1.00 0.00 H new ATOM 0 HG3 MET A 125 -15.934 -4.838 11.285 1.00 0.00 H new ATOM 0 HE1 MET A 125 -12.607 -4.685 13.083 1.00 0.00 H new ATOM 0 HE2 MET A 125 -14.105 -5.568 12.703 1.00 0.00 H new ATOM 0 HE3 MET A 125 -12.784 -5.501 11.512 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.488 -3.803 7.017 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.582 -2.891 6.341 1.00 0.00 C ATOM 2037 C PHE A 126 -13.345 -1.958 5.398 1.00 0.00 C ATOM 2038 O PHE A 126 -12.954 -0.808 5.207 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.616 -3.747 5.520 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.370 -2.997 5.044 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -9.271 -2.928 5.842 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -10.361 -2.398 3.823 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -8.115 -2.232 5.400 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -9.205 -1.702 3.381 1.00 0.00 C ATOM 2045 CZ PHE A 126 -8.106 -1.633 4.179 1.00 0.00 C ATOM 0 H PHE A 126 -13.143 -4.759 7.107 1.00 0.00 H new ATOM 0 HA PHE A 126 -12.059 -2.276 7.073 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -11.305 -4.603 6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -12.144 -4.141 4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.277 -3.403 6.812 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -11.234 -2.452 3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.242 -2.178 6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.199 -1.227 2.411 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.227 -1.103 3.843 1.00 0.00 H new ATOM 2055 N LEU A 127 -14.421 -2.489 4.835 1.00 0.00 N ATOM 2056 CA LEU A 127 -15.243 -1.718 3.918 1.00 0.00 C ATOM 2057 C LEU A 127 -16.549 -1.331 4.613 1.00 0.00 C ATOM 2058 O LEU A 127 -16.988 -2.010 5.540 1.00 0.00 O ATOM 2059 CB LEU A 127 -15.445 -2.484 2.608 1.00 0.00 C ATOM 2060 CG LEU A 127 -14.208 -3.183 2.042 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -14.583 -4.511 1.382 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -13.448 -2.262 1.085 1.00 0.00 C ATOM 0 H LEU A 127 -14.742 -3.444 4.996 1.00 0.00 H new ATOM 0 HA LEU A 127 -14.742 -0.790 3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -16.221 -3.233 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.820 -1.788 1.857 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.537 -3.413 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.685 -4.988 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.047 -5.166 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.284 -4.327 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -12.573 -2.783 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -14.099 -1.980 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -13.130 -1.366 1.618 1.00 0.00 H new ATOM 2074 N GLN A 128 -17.135 -0.242 4.137 1.00 0.00 N ATOM 2075 CA GLN A 128 -18.383 0.243 4.701 1.00 0.00 C ATOM 2076 C GLN A 128 -18.122 0.966 6.024 1.00 0.00 C ATOM 2077 O GLN A 128 -18.520 2.116 6.197 1.00 0.00 O ATOM 2078 CB GLN A 128 -19.382 -0.900 4.888 1.00 0.00 C ATOM 2079 CG GLN A 128 -19.445 -1.783 3.640 1.00 0.00 C ATOM 2080 CD GLN A 128 -20.322 -3.013 3.882 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -20.761 -3.287 4.987 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -20.553 -3.736 2.790 1.00 0.00 N ATOM 0 H GLN A 128 -16.769 0.318 3.367 1.00 0.00 H new ATOM 0 HA GLN A 128 -18.823 0.954 4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.094 -1.502 5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -20.371 -0.493 5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -19.842 -1.208 2.803 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -18.439 -2.098 3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.155 -3.450 1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -21.128 -4.576 2.847 1.00 0.00 H new ATOM 2091 N GLU A 129 -17.455 0.260 6.925 1.00 0.00 N ATOM 2092 CA GLU A 129 -17.136 0.819 8.228 1.00 0.00 C ATOM 2093 C GLU A 129 -15.975 1.809 8.111 1.00 0.00 C ATOM 2094 O GLU A 129 -14.843 1.414 7.838 1.00 0.00 O ATOM 2095 CB GLU A 129 -16.814 -0.286 9.235 1.00 0.00 C ATOM 2096 CG GLU A 129 -18.041 -1.161 9.501 1.00 0.00 C ATOM 2097 CD GLU A 129 -18.250 -1.372 11.002 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -17.233 -1.612 11.688 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -19.422 -1.288 11.429 1.00 0.00 O ATOM 0 H GLU A 129 -17.127 -0.694 6.779 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.011 1.356 8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -15.999 -0.902 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.470 0.158 10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -18.926 -0.693 9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -17.918 -2.125 9.008 1.00 0.00 H new ATOM 2106 N GLU A 130 -16.297 3.077 8.323 1.00 0.00 N ATOM 2107 CA GLU A 130 -15.296 4.127 8.244 1.00 0.00 C ATOM 2108 C GLU A 130 -14.074 3.758 9.088 1.00 0.00 C ATOM 2109 O GLU A 130 -12.942 3.831 8.612 1.00 0.00 O ATOM 2110 CB GLU A 130 -15.877 5.473 8.680 1.00 0.00 C ATOM 2111 CG GLU A 130 -16.939 5.286 9.766 1.00 0.00 C ATOM 2112 CD GLU A 130 -18.347 5.443 9.188 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -18.609 4.801 8.148 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -19.130 6.202 9.799 1.00 0.00 O ATOM 0 H GLU A 130 -17.237 3.401 8.549 1.00 0.00 H new ATOM 0 HA GLU A 130 -14.981 4.225 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -15.078 6.114 9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -16.316 5.979 7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -16.835 4.299 10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -16.785 6.016 10.560 1.00 0.00 H new ATOM 2121 N ALA A 131 -14.344 3.371 10.326 1.00 0.00 N ATOM 2122 CA ALA A 131 -13.280 2.991 11.240 1.00 0.00 C ATOM 2123 C ALA A 131 -13.409 1.504 11.576 1.00 0.00 C ATOM 2124 O ALA A 131 -14.514 1.003 11.779 1.00 0.00 O ATOM 2125 CB ALA A 131 -13.337 3.877 12.486 1.00 0.00 C ATOM 0 H ALA A 131 -15.284 3.312 10.718 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.305 3.141 10.777 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.539 3.592 13.172 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -13.212 4.920 12.197 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -14.301 3.751 12.979 1.00 0.00 H new ATOM 2131 N ILE A 132 -12.264 0.839 11.624 1.00 0.00 N ATOM 2132 CA ILE A 132 -12.235 -0.580 11.932 1.00 0.00 C ATOM 2133 C ILE A 132 -12.139 -0.767 13.447 1.00 0.00 C ATOM 2134 O ILE A 132 -11.173 -0.329 14.070 1.00 0.00 O ATOM 2135 CB ILE A 132 -11.115 -1.274 11.154 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -11.605 -1.734 9.780 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -10.517 -2.426 11.965 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -10.428 -1.998 8.838 1.00 0.00 C ATOM 0 H ILE A 132 -11.349 1.257 11.455 1.00 0.00 H new ATOM 0 HA ILE A 132 -13.160 -1.059 11.610 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.317 -0.551 10.985 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -12.200 -2.641 9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -12.257 -0.974 9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -9.723 -2.902 11.390 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.107 -2.040 12.898 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -11.294 -3.158 12.186 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.804 -2.324 7.868 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -9.849 -1.083 8.714 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -9.791 -2.776 9.260 1.00 0.00 H new ATOM 2150 N ASP A 133 -13.154 -1.418 13.997 1.00 0.00 N ATOM 2151 CA ASP A 133 -13.196 -1.669 15.427 1.00 0.00 C ATOM 2152 C ASP A 133 -12.278 -2.847 15.762 1.00 0.00 C ATOM 2153 O ASP A 133 -12.615 -3.998 15.488 1.00 0.00 O ATOM 2154 CB ASP A 133 -14.612 -2.028 15.882 1.00 0.00 C ATOM 2155 CG ASP A 133 -15.683 -0.990 15.543 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -15.415 0.205 15.792 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -16.746 -1.415 15.042 1.00 0.00 O ATOM 0 H ASP A 133 -13.954 -1.779 13.477 1.00 0.00 H new ATOM 0 HA ASP A 133 -12.872 -0.762 15.938 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.893 -2.979 15.429 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.603 -2.179 16.961 1.00 0.00 H new ATOM 2162 N ARG A 134 -11.137 -2.518 16.349 1.00 0.00 N ATOM 2163 CA ARG A 134 -10.168 -3.535 16.724 1.00 0.00 C ATOM 2164 C ARG A 134 -10.698 -4.366 17.894 1.00 0.00 C ATOM 2165 O ARG A 134 -10.076 -5.350 18.292 1.00 0.00 O ATOM 2166 CB ARG A 134 -8.832 -2.903 17.119 1.00 0.00 C ATOM 2167 CG ARG A 134 -8.081 -2.393 15.887 1.00 0.00 C ATOM 2168 CD ARG A 134 -7.487 -1.007 16.142 1.00 0.00 C ATOM 2169 NE ARG A 134 -6.843 -0.498 14.910 1.00 0.00 N ATOM 2170 CZ ARG A 134 -7.490 0.173 13.947 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -8.801 0.420 14.067 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -6.824 0.598 12.864 1.00 0.00 N ATOM 0 H ARG A 134 -10.861 -1.562 16.574 1.00 0.00 H new ATOM 0 HA ARG A 134 -10.010 -4.179 15.859 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.006 -2.078 17.810 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.220 -3.636 17.645 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.285 -3.091 15.627 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.759 -2.351 15.035 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.270 -0.320 16.463 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.757 -1.058 16.950 1.00 0.00 H new ATOM 0 HE ARG A 134 -5.845 -0.669 14.786 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -9.307 0.097 14.892 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -9.293 0.931 13.334 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -5.825 0.411 12.773 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -7.316 1.109 12.131 1.00 0.00 H new