USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 SER OG : rot 21:sc= -4.72! USER MOD Set 1.2: A 95 ASN : amide:sc= -12.6! C(o=-17!,f=-31!) USER MOD Set 2.1: A 18 ASN : amide:sc= -3.35! K(o=-7.6!,f=-0.41) USER MOD Set 2.2: A 43 ASN : amide:sc= -4.24! K(o=-7.6!,f=-0.41) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.74) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.36! X(o=-1.4!,f=-0.96) USER MOD Single : A 48 THR OG1 : rot -4:sc= -1.71! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -126:sc= -0.175 (180deg=-1.26) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-2) USER MOD Single : A 66 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.024) USER MOD Single : A 67 GLN : amide:sc= -1.36 K(o=-1.4,f=-3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -9.38! C(o=-9.4!,f=-7.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc=-0.00175 X(o=-0.0018,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -4.8! C(o=-4.8!,f=-7.1!) USER MOD Single : A 87 TYR OH : rot -173:sc= -3.62! USER MOD Single : A 88 SER OG : rot -90:sc= 0.559 USER MOD Single : A 92 MET CE :methyl -151:sc= -8.03! (180deg=-11.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= 0.34 (180deg=-0.0777) USER MOD Single : A 100 SER OG : rot -152:sc= 1.09 USER MOD Single : A 103 SER OG : rot 100:sc= -0.172 USER MOD Single : A 106 SER OG : rot 180:sc= -1.03 USER MOD Single : A 108 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.38) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -27.779 -10.546 -6.917 1.00 0.00 N ATOM 133 CA VAL A 13 -27.479 -9.127 -6.830 1.00 0.00 C ATOM 134 C VAL A 13 -25.981 -8.941 -6.579 1.00 0.00 C ATOM 135 O VAL A 13 -25.421 -9.547 -5.667 1.00 0.00 O ATOM 136 CB VAL A 13 -28.351 -8.473 -5.756 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.500 -6.971 -6.011 1.00 0.00 C ATOM 138 CG2 VAL A 13 -29.718 -9.153 -5.670 1.00 0.00 C ATOM 0 HA VAL A 13 -27.715 -8.628 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 13 -27.853 -8.602 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -29.124 -6.530 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -27.517 -6.500 -5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -28.965 -6.811 -6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -30.317 -8.669 -4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -30.227 -9.070 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.586 -10.205 -5.419 1.00 0.00 H new ATOM 148 N TYR A 14 -25.375 -8.100 -7.405 1.00 0.00 N ATOM 149 CA TYR A 14 -23.954 -7.827 -7.284 1.00 0.00 C ATOM 150 C TYR A 14 -23.705 -6.359 -6.931 1.00 0.00 C ATOM 151 O TYR A 14 -24.624 -5.652 -6.519 1.00 0.00 O ATOM 152 CB TYR A 14 -23.350 -8.118 -8.659 1.00 0.00 C ATOM 153 CG TYR A 14 -23.864 -9.406 -9.305 1.00 0.00 C ATOM 154 CD1 TYR A 14 -25.043 -9.395 -10.023 1.00 0.00 C ATOM 155 CD2 TYR A 14 -23.150 -10.578 -9.170 1.00 0.00 C ATOM 156 CE1 TYR A 14 -25.528 -10.607 -10.630 1.00 0.00 C ATOM 157 CE2 TYR A 14 -23.634 -11.791 -9.778 1.00 0.00 C ATOM 158 CZ TYR A 14 -24.799 -11.745 -10.478 1.00 0.00 C ATOM 159 OH TYR A 14 -25.256 -12.890 -11.052 1.00 0.00 O ATOM 0 H TYR A 14 -25.843 -7.599 -8.160 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.512 -8.437 -6.496 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.564 -7.280 -9.323 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.266 -8.180 -8.563 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -25.602 -8.477 -10.129 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -22.228 -10.587 -8.608 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -26.450 -10.612 -11.193 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -23.084 -12.716 -9.680 1.00 0.00 H new ATOM 0 HH TYR A 14 -24.633 -13.622 -10.862 1.00 0.00 H new ATOM 169 N ASP A 15 -22.459 -5.944 -7.106 1.00 0.00 N ATOM 170 CA ASP A 15 -22.079 -4.573 -6.812 1.00 0.00 C ATOM 171 C ASP A 15 -20.575 -4.514 -6.535 1.00 0.00 C ATOM 172 O ASP A 15 -20.152 -4.017 -5.493 1.00 0.00 O ATOM 173 CB ASP A 15 -22.809 -4.053 -5.572 1.00 0.00 C ATOM 174 CG ASP A 15 -24.062 -3.224 -5.859 1.00 0.00 C ATOM 175 OD1 ASP A 15 -23.938 -2.263 -6.648 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.116 -3.569 -5.282 1.00 0.00 O ATOM 0 H ASP A 15 -21.700 -6.533 -7.448 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.345 -3.957 -7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.089 -4.904 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.116 -3.446 -4.989 1.00 0.00 H new ATOM 181 N VAL A 16 -19.810 -5.028 -7.487 1.00 0.00 N ATOM 182 CA VAL A 16 -18.363 -5.040 -7.359 1.00 0.00 C ATOM 183 C VAL A 16 -17.981 -5.608 -5.990 1.00 0.00 C ATOM 184 O VAL A 16 -18.812 -5.668 -5.085 1.00 0.00 O ATOM 185 CB VAL A 16 -17.805 -3.635 -7.599 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.075 -3.176 -9.034 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.374 -2.638 -6.588 1.00 0.00 C ATOM 0 H VAL A 16 -20.165 -5.439 -8.350 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.918 -5.686 -8.115 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.725 -3.675 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.669 -2.175 -9.178 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.599 -3.865 -9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.150 -3.161 -9.215 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -17.961 -1.648 -6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.459 -2.603 -6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.108 -2.951 -5.579 1.00 0.00 H new ATOM 197 N PRO A 17 -16.690 -6.022 -5.880 1.00 0.00 N ATOM 198 CA PRO A 17 -16.188 -6.584 -4.637 1.00 0.00 C ATOM 199 C PRO A 17 -15.963 -5.489 -3.592 1.00 0.00 C ATOM 200 O PRO A 17 -15.228 -4.534 -3.837 1.00 0.00 O ATOM 201 CB PRO A 17 -14.909 -7.309 -5.022 1.00 0.00 C ATOM 202 CG PRO A 17 -14.496 -6.740 -6.370 1.00 0.00 C ATOM 203 CD PRO A 17 -15.678 -5.966 -6.931 1.00 0.00 C ATOM 0 HA PRO A 17 -16.894 -7.270 -4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.130 -7.150 -4.276 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.074 -8.385 -5.086 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.630 -6.087 -6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.207 -7.541 -7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.404 -4.937 -7.162 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.042 -6.414 -7.856 1.00 0.00 H new ATOM 211 N ASN A 18 -16.610 -5.665 -2.449 1.00 0.00 N ATOM 212 CA ASN A 18 -16.490 -4.704 -1.366 1.00 0.00 C ATOM 213 C ASN A 18 -15.016 -4.345 -1.169 1.00 0.00 C ATOM 214 O ASN A 18 -14.132 -5.052 -1.651 1.00 0.00 O ATOM 215 CB ASN A 18 -17.015 -5.287 -0.052 1.00 0.00 C ATOM 216 CG ASN A 18 -18.519 -5.048 0.092 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.034 -4.797 1.169 1.00 0.00 O ATOM 218 ND2 ASN A 18 -19.193 -5.142 -1.051 1.00 0.00 N ATOM 0 H ASN A 18 -17.219 -6.459 -2.250 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.076 -3.824 -1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.808 -6.357 -0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.489 -4.832 0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.203 -5.001 -1.060 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.700 -5.355 -1.918 1.00 0.00 H new ATOM 225 N PRO A 19 -14.791 -3.219 -0.441 1.00 0.00 N ATOM 226 CA PRO A 19 -13.439 -2.758 -0.174 1.00 0.00 C ATOM 227 C PRO A 19 -12.765 -3.624 0.892 1.00 0.00 C ATOM 228 O PRO A 19 -13.436 -4.181 1.760 1.00 0.00 O ATOM 229 CB PRO A 19 -13.594 -1.307 0.250 1.00 0.00 C ATOM 230 CG PRO A 19 -15.051 -1.145 0.653 1.00 0.00 C ATOM 231 CD PRO A 19 -15.813 -2.358 0.146 1.00 0.00 C ATOM 0 HA PRO A 19 -12.788 -2.837 -1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.930 -1.070 1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.337 -0.632 -0.566 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.141 -1.064 1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.465 -0.230 0.229 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.338 -2.863 0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.563 -2.074 -0.592 1.00 0.00 H new ATOM 239 N PRO A 20 -11.412 -3.713 0.790 1.00 0.00 N ATOM 240 CA PRO A 20 -10.639 -4.501 1.735 1.00 0.00 C ATOM 241 C PRO A 20 -10.525 -3.785 3.082 1.00 0.00 C ATOM 242 O PRO A 20 -10.868 -2.609 3.195 1.00 0.00 O ATOM 243 CB PRO A 20 -9.294 -4.717 1.061 1.00 0.00 C ATOM 244 CG PRO A 20 -9.198 -3.657 -0.025 1.00 0.00 C ATOM 245 CD PRO A 20 -10.584 -3.067 -0.225 1.00 0.00 C ATOM 0 HA PRO A 20 -11.109 -5.456 1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.478 -4.618 1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.226 -5.719 0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.490 -2.879 0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.832 -4.094 -0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.575 -1.984 -0.099 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.959 -3.268 -1.229 1.00 0.00 H new ATOM 253 N PHE A 21 -10.043 -4.524 4.070 1.00 0.00 N ATOM 254 CA PHE A 21 -9.879 -3.974 5.405 1.00 0.00 C ATOM 255 C PHE A 21 -8.743 -4.677 6.152 1.00 0.00 C ATOM 256 O PHE A 21 -8.174 -5.647 5.653 1.00 0.00 O ATOM 257 CB PHE A 21 -11.192 -4.217 6.153 1.00 0.00 C ATOM 258 CG PHE A 21 -11.700 -5.658 6.066 1.00 0.00 C ATOM 259 CD1 PHE A 21 -11.214 -6.602 6.916 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.637 -5.994 5.140 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.686 -7.939 6.836 1.00 0.00 C ATOM 262 CE2 PHE A 21 -13.108 -7.331 5.059 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.623 -8.276 5.909 1.00 0.00 C ATOM 0 H PHE A 21 -9.761 -5.499 3.973 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.636 -2.913 5.343 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.055 -3.954 7.202 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.955 -3.549 5.754 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.470 -6.335 7.651 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.023 -5.244 4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.301 -8.689 7.511 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.851 -7.598 4.322 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.982 -9.293 5.848 1.00 0.00 H new ATOM 273 N ASP A 22 -8.447 -4.159 7.335 1.00 0.00 N ATOM 274 CA ASP A 22 -7.389 -4.724 8.155 1.00 0.00 C ATOM 275 C ASP A 22 -6.033 -4.402 7.525 1.00 0.00 C ATOM 276 O ASP A 22 -5.007 -4.933 7.945 1.00 0.00 O ATOM 277 CB ASP A 22 -7.517 -6.246 8.248 1.00 0.00 C ATOM 278 CG ASP A 22 -7.358 -6.824 9.655 1.00 0.00 C ATOM 279 OD1 ASP A 22 -6.523 -6.273 10.404 1.00 0.00 O ATOM 280 OD2 ASP A 22 -8.076 -7.804 9.951 1.00 0.00 O ATOM 0 H ASP A 22 -8.921 -3.354 7.745 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.470 -4.293 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.493 -6.538 7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.768 -6.699 7.599 1.00 0.00 H new ATOM 285 N LEU A 23 -6.073 -3.532 6.526 1.00 0.00 N ATOM 286 CA LEU A 23 -4.860 -3.132 5.833 1.00 0.00 C ATOM 287 C LEU A 23 -3.743 -2.911 6.856 1.00 0.00 C ATOM 288 O LEU A 23 -3.994 -2.430 7.960 1.00 0.00 O ATOM 289 CB LEU A 23 -5.127 -1.917 4.942 1.00 0.00 C ATOM 290 CG LEU A 23 -5.002 -2.150 3.435 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.190 -2.955 2.904 1.00 0.00 C ATOM 292 CD2 LEU A 23 -4.827 -0.826 2.688 1.00 0.00 C ATOM 0 H LEU A 23 -6.926 -3.093 6.180 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.527 -3.923 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.133 -1.552 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.435 -1.124 5.226 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.105 -2.743 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.076 -3.106 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.227 -3.922 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.114 -2.410 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.741 -1.020 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.691 -0.187 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.925 -0.326 3.040 1.00 0.00 H new ATOM 304 N GLU A 24 -2.534 -3.272 6.451 1.00 0.00 N ATOM 305 CA GLU A 24 -1.378 -3.120 7.319 1.00 0.00 C ATOM 306 C GLU A 24 -0.097 -3.042 6.486 1.00 0.00 C ATOM 307 O GLU A 24 -0.109 -3.337 5.292 1.00 0.00 O ATOM 308 CB GLU A 24 -1.303 -4.259 8.337 1.00 0.00 C ATOM 309 CG GLU A 24 -1.324 -3.717 9.768 1.00 0.00 C ATOM 310 CD GLU A 24 -2.022 -4.696 10.714 1.00 0.00 C ATOM 311 OE1 GLU A 24 -3.001 -5.325 10.258 1.00 0.00 O ATOM 312 OE2 GLU A 24 -1.562 -4.792 11.872 1.00 0.00 O ATOM 0 H GLU A 24 -2.330 -3.669 5.534 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.484 -2.188 7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.142 -4.939 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.392 -4.836 8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.304 -3.541 10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.838 -2.756 9.789 1.00 0.00 H new ATOM 319 N LEU A 25 0.979 -2.644 7.150 1.00 0.00 N ATOM 320 CA LEU A 25 2.266 -2.524 6.486 1.00 0.00 C ATOM 321 C LEU A 25 3.349 -3.150 7.367 1.00 0.00 C ATOM 322 O LEU A 25 3.713 -2.591 8.400 1.00 0.00 O ATOM 323 CB LEU A 25 2.542 -1.066 6.113 1.00 0.00 C ATOM 324 CG LEU A 25 1.790 -0.531 4.893 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.301 0.899 5.133 1.00 0.00 C ATOM 326 CD2 LEU A 25 2.647 -0.639 3.630 1.00 0.00 C ATOM 0 H LEU A 25 0.986 -2.401 8.141 1.00 0.00 H new ATOM 0 HA LEU A 25 2.263 -3.074 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.295 -0.440 6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.611 -0.954 5.934 1.00 0.00 H new ATOM 0 HG LEU A 25 0.907 -1.151 4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.770 1.255 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.629 0.915 5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.155 1.548 5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.089 -0.252 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.561 -0.059 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.903 -1.684 3.452 1.00 0.00 H new ATOM 445 N VAL A 33 8.649 -3.249 0.778 1.00 0.00 N ATOM 446 CA VAL A 33 7.698 -3.602 1.818 1.00 0.00 C ATOM 447 C VAL A 33 6.592 -4.472 1.219 1.00 0.00 C ATOM 448 O VAL A 33 6.485 -4.593 -0.001 1.00 0.00 O ATOM 449 CB VAL A 33 7.164 -2.335 2.490 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.392 -1.469 1.493 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.298 -2.681 3.703 1.00 0.00 C ATOM 0 HA VAL A 33 8.185 -4.188 2.598 1.00 0.00 H new ATOM 0 HB VAL A 33 8.018 -1.757 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.023 -0.575 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.052 -1.179 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.549 -2.035 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.931 -1.763 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.452 -3.290 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.893 -3.237 4.428 1.00 0.00 H new ATOM 461 N GLN A 34 5.797 -5.055 2.104 1.00 0.00 N ATOM 462 CA GLN A 34 4.702 -5.911 1.677 1.00 0.00 C ATOM 463 C GLN A 34 3.373 -5.381 2.217 1.00 0.00 C ATOM 464 O GLN A 34 3.205 -5.232 3.427 1.00 0.00 O ATOM 465 CB GLN A 34 4.935 -7.358 2.116 1.00 0.00 C ATOM 466 CG GLN A 34 3.662 -8.191 1.953 1.00 0.00 C ATOM 467 CD GLN A 34 3.996 -9.672 1.765 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.104 -10.436 2.710 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.154 -10.034 0.495 1.00 0.00 N ATOM 0 H GLN A 34 5.889 -4.952 3.115 1.00 0.00 H new ATOM 0 HA GLN A 34 4.660 -5.899 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.739 -7.796 1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.257 -7.379 3.157 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.027 -8.066 2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.095 -7.831 1.095 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.050 -9.344 -0.249 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.380 -11.002 0.265 1.00 0.00 H new ATOM 478 N LEU A 35 2.461 -5.110 1.295 1.00 0.00 N ATOM 479 CA LEU A 35 1.152 -4.599 1.663 1.00 0.00 C ATOM 480 C LEU A 35 0.152 -5.757 1.709 1.00 0.00 C ATOM 481 O LEU A 35 -0.158 -6.355 0.679 1.00 0.00 O ATOM 482 CB LEU A 35 0.736 -3.464 0.725 1.00 0.00 C ATOM 483 CG LEU A 35 -0.655 -2.873 0.964 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.720 -2.151 2.312 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.070 -1.963 -0.193 1.00 0.00 C ATOM 0 H LEU A 35 2.603 -5.235 0.293 1.00 0.00 H new ATOM 0 HA LEU A 35 1.181 -4.162 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.469 -2.662 0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.782 -3.831 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.372 -3.693 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.719 -1.740 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.498 -2.856 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.010 -1.342 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.062 -1.556 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.355 -1.146 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.089 -2.538 -1.119 1.00 0.00 H new ATOM 497 N SER A 36 -0.323 -6.039 2.913 1.00 0.00 N ATOM 498 CA SER A 36 -1.281 -7.114 3.106 1.00 0.00 C ATOM 499 C SER A 36 -2.691 -6.539 3.259 1.00 0.00 C ATOM 500 O SER A 36 -2.961 -5.790 4.197 1.00 0.00 O ATOM 501 CB SER A 36 -0.919 -7.962 4.327 1.00 0.00 C ATOM 502 OG SER A 36 0.438 -8.395 4.293 1.00 0.00 O ATOM 0 H SER A 36 -0.062 -5.542 3.765 1.00 0.00 H new ATOM 0 HA SER A 36 -1.252 -7.759 2.228 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.092 -7.383 5.234 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.576 -8.831 4.373 1.00 0.00 H new ATOM 0 HG SER A 36 0.630 -8.932 5.090 1.00 0.00 H new ATOM 508 N TRP A 37 -3.551 -6.910 2.322 1.00 0.00 N ATOM 509 CA TRP A 37 -4.926 -6.440 2.341 1.00 0.00 C ATOM 510 C TRP A 37 -5.842 -7.661 2.437 1.00 0.00 C ATOM 511 O TRP A 37 -5.415 -8.785 2.174 1.00 0.00 O ATOM 512 CB TRP A 37 -5.223 -5.564 1.122 1.00 0.00 C ATOM 513 CG TRP A 37 -5.094 -6.296 -0.216 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.010 -7.053 -0.834 1.00 0.00 C ATOM 515 CD2 TRP A 37 -3.938 -6.308 -1.081 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.532 -7.550 -2.029 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.232 -7.083 -2.184 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.686 -5.685 -0.936 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.326 -7.307 -3.227 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.791 -5.919 -1.987 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.072 -6.696 -3.104 1.00 0.00 C ATOM 0 H TRP A 37 -3.323 -7.530 1.545 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.104 -5.803 3.207 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.234 -5.166 1.211 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.543 -4.712 1.125 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.998 -7.250 -0.446 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.039 -8.150 -2.679 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.435 -5.074 -0.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.580 -7.918 -4.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.814 -5.464 -1.925 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.326 -6.828 -3.874 1.00 0.00 H new ATOM 532 N THR A 38 -7.086 -7.401 2.813 1.00 0.00 N ATOM 533 CA THR A 38 -8.066 -8.465 2.947 1.00 0.00 C ATOM 534 C THR A 38 -9.351 -8.103 2.200 1.00 0.00 C ATOM 535 O THR A 38 -10.061 -7.178 2.591 1.00 0.00 O ATOM 536 CB THR A 38 -8.283 -8.724 4.439 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.054 -9.301 4.874 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.321 -9.817 4.699 1.00 0.00 C ATOM 0 H THR A 38 -7.437 -6.468 3.029 1.00 0.00 H new ATOM 0 HA THR A 38 -7.711 -9.389 2.491 1.00 0.00 H new ATOM 0 HB THR A 38 -8.599 -7.801 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.107 -9.499 5.832 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.437 -9.961 5.773 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.277 -9.521 4.268 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.990 -10.749 4.242 1.00 0.00 H new ATOM 546 N PRO A 39 -9.618 -8.872 1.110 1.00 0.00 N ATOM 547 CA PRO A 39 -10.805 -8.642 0.305 1.00 0.00 C ATOM 548 C PRO A 39 -12.059 -9.155 1.017 1.00 0.00 C ATOM 549 O PRO A 39 -12.233 -10.361 1.182 1.00 0.00 O ATOM 550 CB PRO A 39 -10.534 -9.357 -1.009 1.00 0.00 C ATOM 551 CG PRO A 39 -9.414 -10.344 -0.723 1.00 0.00 C ATOM 552 CD PRO A 39 -8.800 -9.977 0.618 1.00 0.00 C ATOM 0 HA PRO A 39 -10.999 -7.583 0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.427 -9.872 -1.365 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.243 -8.650 -1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.800 -11.363 -0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.661 -10.306 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.820 -10.821 1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.757 -9.679 0.508 1.00 0.00 H new ATOM 560 N GLY A 40 -12.899 -8.213 1.420 1.00 0.00 N ATOM 561 CA GLY A 40 -14.131 -8.555 2.110 1.00 0.00 C ATOM 562 C GLY A 40 -15.072 -9.342 1.196 1.00 0.00 C ATOM 563 O GLY A 40 -14.629 -10.206 0.440 1.00 0.00 O ATOM 0 H GLY A 40 -12.751 -7.213 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.903 -9.145 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.626 -7.645 2.450 1.00 0.00 H new ATOM 567 N ASP A 41 -16.352 -9.016 1.295 1.00 0.00 N ATOM 568 CA ASP A 41 -17.359 -9.682 0.486 1.00 0.00 C ATOM 569 C ASP A 41 -17.041 -9.467 -0.995 1.00 0.00 C ATOM 570 O ASP A 41 -16.329 -8.530 -1.351 1.00 0.00 O ATOM 571 CB ASP A 41 -18.751 -9.110 0.759 1.00 0.00 C ATOM 572 CG ASP A 41 -19.165 -9.091 2.232 1.00 0.00 C ATOM 573 OD1 ASP A 41 -18.610 -8.246 2.966 1.00 0.00 O ATOM 574 OD2 ASP A 41 -20.027 -9.922 2.590 1.00 0.00 O ATOM 0 H ASP A 41 -16.715 -8.299 1.923 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.349 -10.742 0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.791 -8.091 0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.483 -9.692 0.199 1.00 0.00 H new ATOM 579 N ASP A 42 -17.586 -10.351 -1.819 1.00 0.00 N ATOM 580 CA ASP A 42 -17.370 -10.269 -3.253 1.00 0.00 C ATOM 581 C ASP A 42 -18.675 -9.861 -3.939 1.00 0.00 C ATOM 582 O ASP A 42 -18.665 -9.417 -5.086 1.00 0.00 O ATOM 583 CB ASP A 42 -16.939 -11.622 -3.823 1.00 0.00 C ATOM 584 CG ASP A 42 -16.015 -12.440 -2.919 1.00 0.00 C ATOM 585 OD1 ASP A 42 -14.830 -12.055 -2.822 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.515 -13.431 -2.345 1.00 0.00 O ATOM 0 H ASP A 42 -18.176 -11.127 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.585 -9.535 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.831 -12.211 -4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.436 -11.454 -4.775 1.00 0.00 H new ATOM 591 N ASN A 43 -19.767 -10.027 -3.207 1.00 0.00 N ATOM 592 CA ASN A 43 -21.078 -9.682 -3.731 1.00 0.00 C ATOM 593 C ASN A 43 -21.368 -10.532 -4.969 1.00 0.00 C ATOM 594 O ASN A 43 -21.418 -10.016 -6.084 1.00 0.00 O ATOM 595 CB ASN A 43 -21.136 -8.210 -4.145 1.00 0.00 C ATOM 596 CG ASN A 43 -21.196 -7.297 -2.918 1.00 0.00 C ATOM 597 OD1 ASN A 43 -22.041 -6.424 -2.803 1.00 0.00 O ATOM 598 ND2 ASN A 43 -20.256 -7.547 -2.011 1.00 0.00 N ATOM 0 H ASN A 43 -19.771 -10.396 -2.256 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.813 -9.866 -2.947 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.260 -7.962 -4.744 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.011 -8.039 -4.773 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -20.212 -6.993 -1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.579 -8.293 -2.170 1.00 0.00 H new ATOM 605 N ASN A 44 -21.553 -11.823 -4.731 1.00 0.00 N ATOM 606 CA ASN A 44 -21.837 -12.750 -5.812 1.00 0.00 C ATOM 607 C ASN A 44 -20.615 -12.851 -6.727 1.00 0.00 C ATOM 608 O ASN A 44 -20.026 -13.922 -6.867 1.00 0.00 O ATOM 609 CB ASN A 44 -23.020 -12.268 -6.655 1.00 0.00 C ATOM 610 CG ASN A 44 -24.347 -12.738 -6.058 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.878 -13.781 -6.403 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.852 -11.914 -5.145 1.00 0.00 N ATOM 0 H ASN A 44 -21.512 -12.248 -3.805 1.00 0.00 H new ATOM 0 HA ASN A 44 -22.078 -13.717 -5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -23.009 -11.180 -6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.922 -12.644 -7.674 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.735 -12.140 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.356 -11.056 -4.902 1.00 0.00 H new ATOM 619 N SER A 45 -20.268 -11.720 -7.325 1.00 0.00 N ATOM 620 CA SER A 45 -19.127 -11.667 -8.222 1.00 0.00 C ATOM 621 C SER A 45 -17.827 -11.769 -7.421 1.00 0.00 C ATOM 622 O SER A 45 -17.529 -10.901 -6.602 1.00 0.00 O ATOM 623 CB SER A 45 -19.138 -10.383 -9.054 1.00 0.00 C ATOM 624 OG SER A 45 -17.962 -10.250 -9.847 1.00 0.00 O ATOM 0 H SER A 45 -20.758 -10.833 -7.205 1.00 0.00 H new ATOM 0 HA SER A 45 -19.192 -12.512 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 45 -20.014 -10.379 -9.702 1.00 0.00 H new ATOM 0 HB3 SER A 45 -19.227 -9.522 -8.391 1.00 0.00 H new ATOM 0 HG SER A 45 -17.545 -11.129 -9.964 1.00 0.00 H new ATOM 630 N PRO A 46 -17.068 -12.865 -7.693 1.00 0.00 N ATOM 631 CA PRO A 46 -15.808 -13.091 -7.007 1.00 0.00 C ATOM 632 C PRO A 46 -14.717 -12.160 -7.543 1.00 0.00 C ATOM 633 O PRO A 46 -14.779 -11.722 -8.690 1.00 0.00 O ATOM 634 CB PRO A 46 -15.496 -14.562 -7.232 1.00 0.00 C ATOM 635 CG PRO A 46 -16.346 -14.992 -8.416 1.00 0.00 C ATOM 636 CD PRO A 46 -17.390 -13.913 -8.657 1.00 0.00 C ATOM 0 HA PRO A 46 -15.863 -12.867 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.436 -14.709 -7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.733 -15.151 -6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.726 -15.128 -9.302 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.826 -15.949 -8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.344 -13.538 -9.680 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.399 -14.296 -8.503 1.00 0.00 H new ATOM 644 N ILE A 47 -13.744 -11.887 -6.686 1.00 0.00 N ATOM 645 CA ILE A 47 -12.642 -11.017 -7.059 1.00 0.00 C ATOM 646 C ILE A 47 -11.801 -11.700 -8.140 1.00 0.00 C ATOM 647 O ILE A 47 -11.637 -12.919 -8.126 1.00 0.00 O ATOM 648 CB ILE A 47 -11.839 -10.609 -5.822 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.843 -9.089 -5.642 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.420 -11.176 -5.878 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.263 -8.390 -6.874 1.00 0.00 C ATOM 0 H ILE A 47 -13.696 -12.253 -5.735 1.00 0.00 H new ATOM 0 HA ILE A 47 -13.019 -10.088 -7.487 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.322 -11.038 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.862 -8.742 -5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.261 -8.822 -4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.871 -10.871 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.464 -12.264 -5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.912 -10.797 -6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.277 -7.311 -6.721 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.236 -8.721 -7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.862 -8.640 -7.750 1.00 0.00 H new ATOM 663 N THR A 48 -11.291 -10.885 -9.051 1.00 0.00 N ATOM 664 CA THR A 48 -10.471 -11.395 -10.137 1.00 0.00 C ATOM 665 C THR A 48 -9.106 -10.704 -10.145 1.00 0.00 C ATOM 666 O THR A 48 -8.096 -11.321 -10.479 1.00 0.00 O ATOM 667 CB THR A 48 -11.251 -11.217 -11.441 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.657 -9.851 -11.419 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.567 -11.997 -11.449 1.00 0.00 C ATOM 0 H THR A 48 -11.430 -9.875 -9.060 1.00 0.00 H new ATOM 0 HA THR A 48 -10.261 -12.457 -10.010 1.00 0.00 H new ATOM 0 HB THR A 48 -10.634 -11.540 -12.279 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.392 -9.445 -10.568 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.080 -11.835 -12.397 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.361 -13.060 -11.325 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.199 -11.652 -10.631 1.00 0.00 H new ATOM 677 N LYS A 49 -9.120 -9.432 -9.773 1.00 0.00 N ATOM 678 CA LYS A 49 -7.896 -8.651 -9.733 1.00 0.00 C ATOM 679 C LYS A 49 -7.961 -7.669 -8.562 1.00 0.00 C ATOM 680 O LYS A 49 -9.042 -7.369 -8.058 1.00 0.00 O ATOM 681 CB LYS A 49 -7.645 -7.980 -11.085 1.00 0.00 C ATOM 682 CG LYS A 49 -7.010 -6.600 -10.902 1.00 0.00 C ATOM 683 CD LYS A 49 -6.789 -5.915 -12.252 1.00 0.00 C ATOM 684 CE LYS A 49 -8.118 -5.678 -12.971 1.00 0.00 C ATOM 685 NZ LYS A 49 -8.106 -6.316 -14.307 1.00 0.00 N ATOM 0 H LYS A 49 -9.960 -8.923 -9.497 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.036 -9.298 -9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.991 -8.608 -11.691 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.586 -7.883 -11.627 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.652 -5.980 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.058 -6.700 -10.381 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.278 -4.964 -12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.140 -6.531 -12.874 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.937 -6.082 -12.376 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.297 -4.608 -13.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.016 -6.145 -14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.337 -5.912 -14.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.957 -7.340 -14.201 1.00 0.00 H new ATOM 699 N PHE A 50 -6.789 -7.196 -8.162 1.00 0.00 N ATOM 700 CA PHE A 50 -6.699 -6.254 -7.059 1.00 0.00 C ATOM 701 C PHE A 50 -5.733 -5.114 -7.389 1.00 0.00 C ATOM 702 O PHE A 50 -4.518 -5.301 -7.371 1.00 0.00 O ATOM 703 CB PHE A 50 -6.163 -7.028 -5.853 1.00 0.00 C ATOM 704 CG PHE A 50 -7.225 -7.849 -5.119 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.287 -7.227 -4.542 1.00 0.00 C ATOM 706 CD2 PHE A 50 -7.106 -9.202 -5.044 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.272 -7.990 -3.860 1.00 0.00 C ATOM 708 CE2 PHE A 50 -8.091 -9.965 -4.363 1.00 0.00 C ATOM 709 CZ PHE A 50 -9.153 -9.343 -3.785 1.00 0.00 C ATOM 0 H PHE A 50 -5.894 -7.448 -8.582 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.678 -5.818 -6.861 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.369 -7.696 -6.187 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.714 -6.324 -5.152 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.382 -6.153 -4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.262 -9.696 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.116 -7.496 -3.401 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.997 -11.039 -4.304 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.902 -9.923 -3.266 1.00 0.00 H new ATOM 719 N ILE A 51 -6.311 -3.958 -7.683 1.00 0.00 N ATOM 720 CA ILE A 51 -5.517 -2.788 -8.017 1.00 0.00 C ATOM 721 C ILE A 51 -5.184 -2.021 -6.735 1.00 0.00 C ATOM 722 O ILE A 51 -5.891 -2.138 -5.736 1.00 0.00 O ATOM 723 CB ILE A 51 -6.228 -1.941 -9.074 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.391 -2.720 -10.381 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.506 -0.609 -9.286 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.865 -2.820 -10.778 1.00 0.00 C ATOM 0 H ILE A 51 -7.320 -3.807 -7.697 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.570 -3.086 -8.466 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.229 -1.709 -8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.829 -2.228 -11.175 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.972 -3.720 -10.267 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.032 -0.026 -10.042 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.486 -0.053 -8.349 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.485 -0.797 -9.618 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.954 -3.378 -11.710 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.419 -3.334 -9.993 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.274 -1.819 -10.914 1.00 0.00 H new ATOM 738 N ILE A 52 -4.108 -1.252 -6.807 1.00 0.00 N ATOM 739 CA ILE A 52 -3.673 -0.465 -5.665 1.00 0.00 C ATOM 740 C ILE A 52 -3.391 0.969 -6.117 1.00 0.00 C ATOM 741 O ILE A 52 -3.170 1.218 -7.301 1.00 0.00 O ATOM 742 CB ILE A 52 -2.485 -1.137 -4.973 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.877 -2.507 -4.418 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.894 -0.228 -3.893 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.130 -3.627 -5.145 1.00 0.00 C ATOM 0 H ILE A 52 -3.524 -1.157 -7.638 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.462 -0.413 -4.915 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.705 -1.303 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.654 -2.549 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.952 -2.653 -4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.051 -0.729 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.553 0.702 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.656 -0.009 -3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.427 -4.591 -4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.374 -3.597 -6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.056 -3.492 -5.016 1.00 0.00 H new ATOM 757 N GLU A 53 -3.409 1.875 -5.150 1.00 0.00 N ATOM 758 CA GLU A 53 -3.158 3.277 -5.434 1.00 0.00 C ATOM 759 C GLU A 53 -2.638 3.987 -4.182 1.00 0.00 C ATOM 760 O GLU A 53 -2.747 3.461 -3.075 1.00 0.00 O ATOM 761 CB GLU A 53 -4.417 3.962 -5.970 1.00 0.00 C ATOM 762 CG GLU A 53 -4.473 3.888 -7.497 1.00 0.00 C ATOM 763 CD GLU A 53 -5.787 3.263 -7.968 1.00 0.00 C ATOM 764 OE1 GLU A 53 -6.842 3.727 -7.484 1.00 0.00 O ATOM 765 OE2 GLU A 53 -5.708 2.334 -8.801 1.00 0.00 O ATOM 0 H GLU A 53 -3.594 1.665 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.393 3.340 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.302 3.487 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.432 5.004 -5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.371 4.889 -7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.633 3.300 -7.867 1.00 0.00 H new ATOM 772 N TYR A 54 -2.085 5.171 -4.399 1.00 0.00 N ATOM 773 CA TYR A 54 -1.548 5.959 -3.302 1.00 0.00 C ATOM 774 C TYR A 54 -1.698 7.456 -3.577 1.00 0.00 C ATOM 775 O TYR A 54 -1.847 7.868 -4.727 1.00 0.00 O ATOM 776 CB TYR A 54 -0.060 5.613 -3.223 1.00 0.00 C ATOM 777 CG TYR A 54 0.788 6.262 -4.319 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.284 7.538 -4.144 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.058 5.571 -5.483 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.082 8.148 -5.176 1.00 0.00 C ATOM 781 CE2 TYR A 54 1.856 6.181 -6.514 1.00 0.00 C ATOM 782 CZ TYR A 54 2.329 7.440 -6.310 1.00 0.00 C ATOM 783 OH TYR A 54 3.082 8.016 -7.284 1.00 0.00 O ATOM 0 H TYR A 54 -1.997 5.604 -5.318 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.078 5.738 -2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.323 5.922 -2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.055 4.531 -3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.074 8.079 -3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.670 4.572 -5.620 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.476 9.146 -5.052 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.074 5.651 -7.429 1.00 0.00 H new ATOM 0 HH TYR A 54 3.177 7.394 -8.035 1.00 0.00 H new ATOM 793 N GLU A 55 -1.654 8.231 -2.503 1.00 0.00 N ATOM 794 CA GLU A 55 -1.783 9.673 -2.614 1.00 0.00 C ATOM 795 C GLU A 55 -0.556 10.364 -2.015 1.00 0.00 C ATOM 796 O GLU A 55 -0.289 10.237 -0.821 1.00 0.00 O ATOM 797 CB GLU A 55 -3.069 10.162 -1.945 1.00 0.00 C ATOM 798 CG GLU A 55 -3.061 9.848 -0.447 1.00 0.00 C ATOM 799 CD GLU A 55 -3.088 11.134 0.382 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.009 11.752 0.507 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.187 11.469 0.873 1.00 0.00 O ATOM 0 H GLU A 55 -1.531 7.886 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.841 9.932 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.175 11.236 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.931 9.688 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.924 9.231 -0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.172 9.269 -0.198 1.00 0.00 H new ATOM 808 N ASP A 56 0.158 11.079 -2.872 1.00 0.00 N ATOM 809 CA ASP A 56 1.351 11.790 -2.442 1.00 0.00 C ATOM 810 C ASP A 56 0.966 12.835 -1.392 1.00 0.00 C ATOM 811 O ASP A 56 0.761 14.002 -1.720 1.00 0.00 O ATOM 812 CB ASP A 56 2.010 12.518 -3.614 1.00 0.00 C ATOM 813 CG ASP A 56 1.971 11.768 -4.947 1.00 0.00 C ATOM 814 OD1 ASP A 56 0.905 11.183 -5.237 1.00 0.00 O ATOM 815 OD2 ASP A 56 3.008 11.795 -5.644 1.00 0.00 O ATOM 0 H ASP A 56 -0.066 11.181 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 56 2.049 11.060 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.521 13.483 -3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.050 12.719 -3.358 1.00 0.00 H new ATOM 820 N ALA A 57 0.879 12.377 -0.152 1.00 0.00 N ATOM 821 CA ALA A 57 0.522 13.257 0.948 1.00 0.00 C ATOM 822 C ALA A 57 1.581 14.353 1.082 1.00 0.00 C ATOM 823 O ALA A 57 1.263 15.489 1.430 1.00 0.00 O ATOM 824 CB ALA A 57 0.367 12.436 2.229 1.00 0.00 C ATOM 0 H ALA A 57 1.050 11.408 0.116 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.434 13.744 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.099 13.096 3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.417 11.691 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.308 11.935 2.456 1.00 0.00 H new ATOM 830 N MET A 58 2.819 13.974 0.798 1.00 0.00 N ATOM 831 CA MET A 58 3.926 14.910 0.882 1.00 0.00 C ATOM 832 C MET A 58 3.813 15.992 -0.194 1.00 0.00 C ATOM 833 O MET A 58 3.935 17.180 0.099 1.00 0.00 O ATOM 834 CB MET A 58 5.247 14.156 0.712 1.00 0.00 C ATOM 835 CG MET A 58 6.439 15.111 0.805 1.00 0.00 C ATOM 836 SD MET A 58 7.923 14.198 1.194 1.00 0.00 S ATOM 837 CE MET A 58 7.599 13.793 2.902 1.00 0.00 C ATOM 0 H MET A 58 3.079 13.031 0.509 1.00 0.00 H new ATOM 0 HA MET A 58 3.896 15.392 1.859 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.332 13.387 1.479 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.258 13.647 -0.252 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.565 15.641 -0.139 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.254 15.864 1.571 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.433 14.126 3.519 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.686 14.291 3.227 1.00 0.00 H new ATOM 0 HE3 MET A 58 7.480 12.714 3.004 1.00 0.00 H new ATOM 847 N HIS A 59 3.582 15.541 -1.418 1.00 0.00 N ATOM 848 CA HIS A 59 3.451 16.455 -2.540 1.00 0.00 C ATOM 849 C HIS A 59 2.048 17.065 -2.545 1.00 0.00 C ATOM 850 O HIS A 59 1.886 18.261 -2.307 1.00 0.00 O ATOM 851 CB HIS A 59 3.798 15.755 -3.855 1.00 0.00 C ATOM 852 CG HIS A 59 5.200 15.196 -3.903 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.531 13.957 -3.383 1.00 0.00 N ATOM 854 CD2 HIS A 59 6.351 15.720 -4.414 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.826 13.755 -3.577 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.333 14.848 -4.216 1.00 0.00 N ATOM 0 H HIS A 59 3.482 14.555 -1.658 1.00 0.00 H new ATOM 0 HA HIS A 59 4.164 17.272 -2.432 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.089 14.944 -4.021 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.672 16.462 -4.675 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.447 16.681 -4.898 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.383 12.878 -3.281 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.306 14.975 -4.496 1.00 0.00 H new ATOM 864 N LYS A 60 1.069 16.214 -2.818 1.00 0.00 N ATOM 865 CA LYS A 60 -0.315 16.654 -2.856 1.00 0.00 C ATOM 866 C LYS A 60 -1.212 15.551 -2.292 1.00 0.00 C ATOM 867 O LYS A 60 -1.421 14.525 -2.937 1.00 0.00 O ATOM 868 CB LYS A 60 -0.698 17.095 -4.271 1.00 0.00 C ATOM 869 CG LYS A 60 -0.255 18.535 -4.535 1.00 0.00 C ATOM 870 CD LYS A 60 -1.374 19.339 -5.200 1.00 0.00 C ATOM 871 CE LYS A 60 -1.286 19.245 -6.725 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.642 20.455 -7.283 1.00 0.00 N ATOM 0 H LYS A 60 1.207 15.223 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.453 17.532 -2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.237 16.429 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.777 17.013 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.030 19.010 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.628 18.536 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.342 18.967 -4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.309 20.383 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.717 18.360 -7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.285 19.130 -7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.590 20.375 -8.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.201 21.294 -7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.318 20.548 -6.895 1.00 0.00 H new ATOM 886 N PRO A 61 -1.731 15.806 -1.061 1.00 0.00 N ATOM 887 CA PRO A 61 -2.601 14.846 -0.402 1.00 0.00 C ATOM 888 C PRO A 61 -3.996 14.850 -1.029 1.00 0.00 C ATOM 889 O PRO A 61 -4.603 15.907 -1.196 1.00 0.00 O ATOM 890 CB PRO A 61 -2.606 15.260 1.061 1.00 0.00 C ATOM 891 CG PRO A 61 -2.118 16.699 1.089 1.00 0.00 C ATOM 892 CD PRO A 61 -1.505 17.010 -0.267 1.00 0.00 C ATOM 0 HA PRO A 61 -2.253 13.819 -0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.606 15.179 1.486 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.955 14.615 1.651 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.944 17.378 1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.382 16.837 1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.976 17.880 -0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.442 17.233 -0.179 1.00 0.00 H new ATOM 900 N GLY A 62 -4.464 13.656 -1.361 1.00 0.00 N ATOM 901 CA GLY A 62 -5.777 13.508 -1.966 1.00 0.00 C ATOM 902 C GLY A 62 -5.660 13.097 -3.435 1.00 0.00 C ATOM 903 O GLY A 62 -6.625 12.616 -4.028 1.00 0.00 O ATOM 0 H GLY A 62 -3.957 12.782 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.351 12.759 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.325 14.447 -1.890 1.00 0.00 H new ATOM 907 N LEU A 63 -4.470 13.301 -3.981 1.00 0.00 N ATOM 908 CA LEU A 63 -4.214 12.957 -5.369 1.00 0.00 C ATOM 909 C LEU A 63 -3.775 11.494 -5.456 1.00 0.00 C ATOM 910 O LEU A 63 -2.600 11.184 -5.268 1.00 0.00 O ATOM 911 CB LEU A 63 -3.215 13.937 -5.988 1.00 0.00 C ATOM 912 CG LEU A 63 -3.400 14.231 -7.479 1.00 0.00 C ATOM 913 CD1 LEU A 63 -4.753 14.892 -7.744 1.00 0.00 C ATOM 914 CD2 LEU A 63 -2.238 15.065 -8.021 1.00 0.00 C ATOM 0 H LEU A 63 -3.672 13.700 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.126 13.051 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.274 14.879 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.210 13.544 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.395 13.283 -8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.859 15.090 -8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.553 14.227 -7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.814 15.831 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.394 15.260 -9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.187 16.011 -7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.304 14.519 -7.886 1.00 0.00 H new ATOM 926 N TRP A 64 -4.742 10.635 -5.740 1.00 0.00 N ATOM 927 CA TRP A 64 -4.470 9.212 -5.853 1.00 0.00 C ATOM 928 C TRP A 64 -3.979 8.937 -7.276 1.00 0.00 C ATOM 929 O TRP A 64 -4.492 9.510 -8.236 1.00 0.00 O ATOM 930 CB TRP A 64 -5.701 8.386 -5.476 1.00 0.00 C ATOM 931 CG TRP A 64 -6.275 8.719 -4.097 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.246 9.592 -3.796 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.870 8.145 -2.836 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.496 9.622 -2.439 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.633 8.714 -1.837 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.892 7.176 -2.549 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.497 8.380 -0.484 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.768 6.853 -1.193 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.528 7.417 -0.175 1.00 0.00 C ATOM 0 H TRP A 64 -5.716 10.897 -5.895 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.692 8.911 -5.151 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.475 8.542 -6.228 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.439 7.328 -5.503 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.767 10.196 -4.524 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.187 10.204 -1.965 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.284 6.717 -3.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.106 8.840 0.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.030 6.114 -0.918 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.372 7.114 0.850 1.00 0.00 H new ATOM 950 N HIS A 65 -2.990 8.059 -7.367 1.00 0.00 N ATOM 951 CA HIS A 65 -2.424 7.701 -8.657 1.00 0.00 C ATOM 952 C HIS A 65 -2.322 6.179 -8.767 1.00 0.00 C ATOM 953 O HIS A 65 -2.236 5.484 -7.756 1.00 0.00 O ATOM 954 CB HIS A 65 -1.082 8.403 -8.874 1.00 0.00 C ATOM 955 CG HIS A 65 -1.138 9.902 -8.701 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.412 10.768 -9.744 1.00 0.00 N ATOM 957 CD2 HIS A 65 -0.952 10.678 -7.595 1.00 0.00 C ATOM 958 CE1 HIS A 65 -1.389 12.007 -9.276 1.00 0.00 C ATOM 959 NE2 HIS A 65 -1.103 11.950 -7.944 1.00 0.00 N ATOM 0 H HIS A 65 -2.567 7.585 -6.569 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.081 8.045 -9.456 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.352 7.994 -8.175 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.723 8.177 -9.878 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.600 10.498 -10.710 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.721 10.319 -6.603 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.566 12.905 -9.849 1.00 0.00 H new ATOM 967 N HIS A 66 -2.335 5.705 -10.004 1.00 0.00 N ATOM 968 CA HIS A 66 -2.245 4.277 -10.260 1.00 0.00 C ATOM 969 C HIS A 66 -0.915 3.743 -9.725 1.00 0.00 C ATOM 970 O HIS A 66 0.147 4.267 -10.057 1.00 0.00 O ATOM 971 CB HIS A 66 -2.449 3.978 -11.746 1.00 0.00 C ATOM 972 CG HIS A 66 -3.174 2.681 -12.018 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.802 1.479 -11.441 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.253 2.412 -12.808 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.625 0.536 -11.873 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.524 1.116 -12.720 1.00 0.00 N ATOM 0 H HIS A 66 -2.407 6.284 -10.840 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.044 3.758 -9.731 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.009 4.797 -12.197 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.476 3.948 -12.237 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.795 3.132 -13.404 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.591 -0.509 -11.602 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.280 0.633 -13.206 1.00 0.00 H new ATOM 984 N GLN A 67 -1.017 2.707 -8.905 1.00 0.00 N ATOM 985 CA GLN A 67 0.165 2.096 -8.321 1.00 0.00 C ATOM 986 C GLN A 67 0.474 0.768 -9.014 1.00 0.00 C ATOM 987 O GLN A 67 1.393 0.687 -9.826 1.00 0.00 O ATOM 988 CB GLN A 67 -0.008 1.901 -6.813 1.00 0.00 C ATOM 989 CG GLN A 67 1.199 1.178 -6.212 1.00 0.00 C ATOM 990 CD GLN A 67 2.073 2.143 -5.409 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.494 3.184 -5.886 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.321 1.742 -4.165 1.00 0.00 N ATOM 0 H GLN A 67 -1.900 2.275 -8.631 1.00 0.00 H new ATOM 0 HA GLN A 67 1.010 2.767 -8.473 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.134 2.870 -6.329 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.914 1.327 -6.618 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.858 0.368 -5.567 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.789 0.724 -7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.938 0.859 -3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.894 2.318 -3.548 1.00 0.00 H new ATOM 1001 N THR A 68 -0.313 -0.241 -8.668 1.00 0.00 N ATOM 1002 CA THR A 68 -0.135 -1.561 -9.247 1.00 0.00 C ATOM 1003 C THR A 68 -1.328 -2.457 -8.907 1.00 0.00 C ATOM 1004 O THR A 68 -2.112 -2.142 -8.013 1.00 0.00 O ATOM 1005 CB THR A 68 1.202 -2.118 -8.754 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.334 -3.361 -9.438 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.164 -2.508 -7.275 1.00 0.00 C ATOM 0 H THR A 68 -1.075 -0.170 -7.994 1.00 0.00 H new ATOM 0 HA THR A 68 -0.102 -1.514 -10.335 1.00 0.00 H new ATOM 0 HB THR A 68 1.985 -1.377 -8.914 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.176 -3.790 -9.178 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.137 -2.897 -6.976 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.924 -1.631 -6.674 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.404 -3.274 -7.120 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.429 -3.557 -9.640 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.513 -4.501 -9.427 1.00 0.00 C ATOM 1017 C GLU A 69 -1.976 -5.933 -9.420 1.00 0.00 C ATOM 1018 O GLU A 69 -0.846 -6.179 -9.842 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.604 -4.330 -10.486 1.00 0.00 C ATOM 1020 CG GLU A 69 -3.048 -4.573 -11.891 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.742 -6.056 -12.111 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.549 -6.879 -11.628 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.709 -6.333 -12.757 1.00 0.00 O ATOM 0 H GLU A 69 -0.778 -3.815 -10.382 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.961 -4.297 -8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.420 -5.026 -10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.021 -3.325 -10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.768 -4.232 -12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.141 -3.986 -12.034 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.810 -6.842 -8.937 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.433 -8.244 -8.870 1.00 0.00 C ATOM 1032 C VAL A 70 -3.649 -9.111 -9.203 1.00 0.00 C ATOM 1033 O VAL A 70 -4.711 -8.593 -9.544 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.832 -8.558 -7.498 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.309 -8.676 -7.582 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.245 -7.509 -6.465 1.00 0.00 C ATOM 0 H VAL A 70 -3.746 -6.635 -8.588 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.662 -8.469 -9.607 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.225 -9.521 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.094 -8.899 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.044 -9.477 -8.272 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.110 -7.735 -7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.804 -7.756 -5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.894 -6.527 -6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.331 -7.495 -6.375 1.00 0.00 H new ATOM 1046 N SER A 71 -3.452 -10.417 -9.092 1.00 0.00 N ATOM 1047 CA SER A 71 -4.520 -11.361 -9.377 1.00 0.00 C ATOM 1048 C SER A 71 -5.571 -11.314 -8.267 1.00 0.00 C ATOM 1049 O SER A 71 -5.341 -10.720 -7.214 1.00 0.00 O ATOM 1050 CB SER A 71 -3.972 -12.781 -9.530 1.00 0.00 C ATOM 1051 OG SER A 71 -4.210 -13.308 -10.833 1.00 0.00 O ATOM 0 H SER A 71 -2.570 -10.843 -8.809 1.00 0.00 H new ATOM 0 HA SER A 71 -4.986 -11.076 -10.320 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.901 -12.780 -9.330 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.434 -13.430 -8.786 1.00 0.00 H new ATOM 0 HG SER A 71 -3.844 -14.215 -10.891 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.702 -11.948 -8.538 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.789 -11.986 -7.575 1.00 0.00 C ATOM 1059 C GLY A 72 -7.648 -13.186 -6.637 1.00 0.00 C ATOM 1060 O GLY A 72 -8.635 -13.658 -6.074 1.00 0.00 O ATOM 0 H GLY A 72 -6.889 -12.440 -9.412 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.797 -11.064 -6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.743 -12.040 -8.100 1.00 0.00 H new ATOM 1064 N THR A 73 -6.413 -13.646 -6.497 1.00 0.00 N ATOM 1065 CA THR A 73 -6.131 -14.783 -5.637 1.00 0.00 C ATOM 1066 C THR A 73 -5.172 -14.377 -4.516 1.00 0.00 C ATOM 1067 O THR A 73 -5.314 -14.827 -3.380 1.00 0.00 O ATOM 1068 CB THR A 73 -5.597 -15.918 -6.513 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.720 -16.775 -6.693 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.575 -16.790 -5.782 1.00 0.00 C ATOM 0 H THR A 73 -5.597 -13.252 -6.965 1.00 0.00 H new ATOM 0 HA THR A 73 -7.034 -15.136 -5.139 1.00 0.00 H new ATOM 0 HB THR A 73 -5.141 -15.500 -7.411 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.463 -17.538 -7.252 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.228 -17.580 -6.448 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.728 -16.177 -5.474 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.040 -17.235 -4.902 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.216 -13.532 -4.875 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.234 -13.061 -3.913 1.00 0.00 C ATOM 1080 C GLN A 74 -3.766 -11.836 -3.168 1.00 0.00 C ATOM 1081 O GLN A 74 -4.716 -11.196 -3.616 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.902 -12.750 -4.598 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.923 -11.359 -5.234 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.518 -10.929 -5.660 1.00 0.00 C ATOM 1085 OE1 GLN A 74 0.127 -11.555 -6.484 1.00 0.00 O ATOM 1086 NE2 GLN A 74 -0.083 -9.827 -5.055 1.00 0.00 N ATOM 0 H GLN A 74 -4.101 -13.162 -5.818 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.056 -13.854 -3.187 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.093 -12.809 -3.870 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.698 -13.500 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.585 -11.361 -6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.329 -10.637 -4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.675 -9.351 -4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.843 -9.458 -5.272 1.00 0.00 H new ATOM 1095 N THR A 75 -3.131 -11.546 -2.042 1.00 0.00 N ATOM 1096 CA THR A 75 -3.528 -10.408 -1.230 1.00 0.00 C ATOM 1097 C THR A 75 -2.296 -9.709 -0.652 1.00 0.00 C ATOM 1098 O THR A 75 -2.400 -8.964 0.322 1.00 0.00 O ATOM 1099 CB THR A 75 -4.501 -10.908 -0.160 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.957 -12.162 0.245 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.872 -11.266 -0.737 1.00 0.00 C ATOM 0 H THR A 75 -2.344 -12.080 -1.673 1.00 0.00 H new ATOM 0 HA THR A 75 -4.039 -9.654 -1.829 1.00 0.00 H new ATOM 0 HB THR A 75 -4.619 -10.144 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.525 -12.556 0.939 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.524 -11.615 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.311 -10.385 -1.205 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.759 -12.054 -1.482 1.00 0.00 H new ATOM 1109 N THR A 76 -1.158 -9.974 -1.276 1.00 0.00 N ATOM 1110 CA THR A 76 0.093 -9.379 -0.836 1.00 0.00 C ATOM 1111 C THR A 76 0.933 -8.951 -2.040 1.00 0.00 C ATOM 1112 O THR A 76 1.271 -9.774 -2.890 1.00 0.00 O ATOM 1113 CB THR A 76 0.801 -10.386 0.073 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.531 -11.648 -0.532 1.00 0.00 O ATOM 1115 CG2 THR A 76 0.151 -10.487 1.454 1.00 0.00 C ATOM 0 H THR A 76 -1.076 -10.593 -2.083 1.00 0.00 H new ATOM 0 HA THR A 76 -0.082 -8.469 -0.263 1.00 0.00 H new ATOM 0 HB THR A 76 1.847 -10.101 0.185 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.955 -12.359 -0.008 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.692 -11.215 2.058 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.183 -9.514 1.943 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.886 -10.805 1.346 1.00 0.00 H new ATOM 1123 N ALA A 77 1.246 -7.664 -2.076 1.00 0.00 N ATOM 1124 CA ALA A 77 2.041 -7.117 -3.163 1.00 0.00 C ATOM 1125 C ALA A 77 3.134 -6.216 -2.586 1.00 0.00 C ATOM 1126 O ALA A 77 2.878 -5.428 -1.677 1.00 0.00 O ATOM 1127 CB ALA A 77 1.127 -6.374 -4.139 1.00 0.00 C ATOM 0 H ALA A 77 0.964 -6.984 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 77 2.532 -7.915 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.723 -5.963 -4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.387 -7.065 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.619 -5.563 -3.617 1.00 0.00 H new ATOM 1133 N GLN A 78 4.330 -6.362 -3.138 1.00 0.00 N ATOM 1134 CA GLN A 78 5.463 -5.571 -2.689 1.00 0.00 C ATOM 1135 C GLN A 78 5.298 -4.113 -3.124 1.00 0.00 C ATOM 1136 O GLN A 78 5.014 -3.837 -4.289 1.00 0.00 O ATOM 1137 CB GLN A 78 6.778 -6.152 -3.210 1.00 0.00 C ATOM 1138 CG GLN A 78 7.451 -7.024 -2.148 1.00 0.00 C ATOM 1139 CD GLN A 78 8.351 -8.079 -2.794 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.513 -7.847 -3.086 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.752 -9.249 -3.001 1.00 0.00 N ATOM 0 H GLN A 78 4.539 -7.016 -3.892 1.00 0.00 H new ATOM 0 HA GLN A 78 5.495 -5.604 -1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.589 -6.744 -4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.448 -5.342 -3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.041 -6.398 -1.479 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.691 -7.513 -1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.776 -9.377 -2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 78 8.269 -10.018 -3.428 1.00 0.00 H new ATOM 1150 N LEU A 79 5.482 -3.218 -2.165 1.00 0.00 N ATOM 1151 CA LEU A 79 5.357 -1.796 -2.434 1.00 0.00 C ATOM 1152 C LEU A 79 6.730 -1.133 -2.302 1.00 0.00 C ATOM 1153 O LEU A 79 7.419 -1.320 -1.301 1.00 0.00 O ATOM 1154 CB LEU A 79 4.285 -1.173 -1.538 1.00 0.00 C ATOM 1155 CG LEU A 79 2.865 -1.717 -1.712 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.825 -0.692 -1.256 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.626 -2.173 -3.153 1.00 0.00 C ATOM 0 H LEU A 79 5.717 -3.450 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 79 5.020 -1.631 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.582 -1.314 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.266 -0.099 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 79 2.754 -2.593 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.825 -1.104 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.982 -0.458 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.926 0.217 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.610 -2.555 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.762 -1.329 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.336 -2.960 -3.408 1.00 0.00 H new ATOM 1169 N ASN A 80 7.085 -0.373 -3.327 1.00 0.00 N ATOM 1170 CA ASN A 80 8.364 0.318 -3.338 1.00 0.00 C ATOM 1171 C ASN A 80 8.154 1.775 -2.921 1.00 0.00 C ATOM 1172 O ASN A 80 7.590 2.566 -3.677 1.00 0.00 O ATOM 1173 CB ASN A 80 8.982 0.311 -4.737 1.00 0.00 C ATOM 1174 CG ASN A 80 10.453 -0.107 -4.685 1.00 0.00 C ATOM 1175 OD1 ASN A 80 11.321 0.637 -4.259 1.00 0.00 O ATOM 1176 ND2 ASN A 80 10.683 -1.335 -5.140 1.00 0.00 N ATOM 0 H ASN A 80 6.510 -0.220 -4.156 1.00 0.00 H new ATOM 0 HA ASN A 80 9.032 -0.197 -2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.428 -0.374 -5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.898 1.303 -5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.633 -1.707 -5.146 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.910 -1.905 -5.483 1.00 0.00 H new ATOM 1183 N LEU A 81 8.620 2.087 -1.721 1.00 0.00 N ATOM 1184 CA LEU A 81 8.490 3.435 -1.195 1.00 0.00 C ATOM 1185 C LEU A 81 9.862 4.114 -1.201 1.00 0.00 C ATOM 1186 O LEU A 81 10.885 3.455 -1.021 1.00 0.00 O ATOM 1187 CB LEU A 81 7.822 3.412 0.181 1.00 0.00 C ATOM 1188 CG LEU A 81 6.853 2.256 0.436 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.269 2.331 1.849 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.760 2.210 -0.633 1.00 0.00 C ATOM 0 H LEU A 81 9.088 1.429 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 81 7.835 4.030 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.602 3.380 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.282 4.349 0.317 1.00 0.00 H new ATOM 0 HG LEU A 81 7.411 1.322 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.584 1.498 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.076 2.278 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.731 3.271 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.085 1.379 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.199 3.145 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.216 2.073 -1.614 1.00 0.00 H new ATOM 1202 N SER A 82 9.838 5.422 -1.409 1.00 0.00 N ATOM 1203 CA SER A 82 11.067 6.197 -1.440 1.00 0.00 C ATOM 1204 C SER A 82 11.336 6.808 -0.063 1.00 0.00 C ATOM 1205 O SER A 82 10.457 6.820 0.797 1.00 0.00 O ATOM 1206 CB SER A 82 10.998 7.295 -2.503 1.00 0.00 C ATOM 1207 OG SER A 82 11.687 6.929 -3.695 1.00 0.00 O ATOM 0 H SER A 82 8.987 5.965 -1.558 1.00 0.00 H new ATOM 0 HA SER A 82 11.887 5.527 -1.700 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.955 7.507 -2.738 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.428 8.214 -2.104 1.00 0.00 H new ATOM 0 HG SER A 82 11.618 7.656 -4.349 1.00 0.00 H new ATOM 1213 N PRO A 83 12.588 7.312 0.107 1.00 0.00 N ATOM 1214 CA PRO A 83 12.984 7.922 1.365 1.00 0.00 C ATOM 1215 C PRO A 83 12.365 9.313 1.518 1.00 0.00 C ATOM 1216 O PRO A 83 12.004 9.718 2.622 1.00 0.00 O ATOM 1217 CB PRO A 83 14.503 7.949 1.327 1.00 0.00 C ATOM 1218 CG PRO A 83 14.887 7.783 -0.134 1.00 0.00 C ATOM 1219 CD PRO A 83 13.654 7.315 -0.890 1.00 0.00 C ATOM 0 HA PRO A 83 12.630 7.366 2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.887 8.887 1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.923 7.147 1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.250 8.726 -0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.695 7.059 -0.236 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.420 7.984 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.803 6.322 -1.314 1.00 0.00 H new ATOM 1227 N TYR A 84 12.261 10.007 0.394 1.00 0.00 N ATOM 1228 CA TYR A 84 11.692 11.344 0.390 1.00 0.00 C ATOM 1229 C TYR A 84 10.324 11.355 -0.296 1.00 0.00 C ATOM 1230 O TYR A 84 10.224 11.656 -1.485 1.00 0.00 O ATOM 1231 CB TYR A 84 12.660 12.212 -0.417 1.00 0.00 C ATOM 1232 CG TYR A 84 14.136 11.938 -0.120 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.714 12.443 1.027 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.888 11.185 -0.998 1.00 0.00 C ATOM 1235 CE1 TYR A 84 16.103 12.186 1.306 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.277 10.927 -0.719 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.816 11.440 0.420 1.00 0.00 C ATOM 1238 OH TYR A 84 18.128 11.197 0.684 1.00 0.00 O ATOM 0 H TYR A 84 12.561 9.668 -0.520 1.00 0.00 H new ATOM 0 HA TYR A 84 11.556 11.706 1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.478 12.050 -1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.447 13.261 -0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 84 14.125 13.031 1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.435 10.789 -1.895 1.00 0.00 H new ATOM 0 HE1 TYR A 84 16.568 12.577 2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.877 10.340 -1.398 1.00 0.00 H new ATOM 0 HH TYR A 84 18.510 10.651 -0.034 1.00 0.00 H new ATOM 1248 N VAL A 85 9.304 11.024 0.483 1.00 0.00 N ATOM 1249 CA VAL A 85 7.947 10.992 -0.034 1.00 0.00 C ATOM 1250 C VAL A 85 7.024 10.356 1.007 1.00 0.00 C ATOM 1251 O VAL A 85 7.467 9.553 1.827 1.00 0.00 O ATOM 1252 CB VAL A 85 7.917 10.269 -1.382 1.00 0.00 C ATOM 1253 CG1 VAL A 85 8.721 8.968 -1.324 1.00 0.00 C ATOM 1254 CG2 VAL A 85 6.478 10.004 -1.830 1.00 0.00 C ATOM 0 H VAL A 85 9.391 10.776 1.468 1.00 0.00 H new ATOM 0 HA VAL A 85 7.584 12.003 -0.215 1.00 0.00 H new ATOM 0 HB VAL A 85 8.384 10.919 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.684 8.474 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.757 9.192 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.296 8.311 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.485 9.489 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.975 9.383 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.948 10.951 -1.930 1.00 0.00 H new ATOM 1264 N ASN A 86 5.757 10.738 0.940 1.00 0.00 N ATOM 1265 CA ASN A 86 4.768 10.215 1.867 1.00 0.00 C ATOM 1266 C ASN A 86 3.435 10.037 1.136 1.00 0.00 C ATOM 1267 O ASN A 86 3.166 10.724 0.152 1.00 0.00 O ATOM 1268 CB ASN A 86 4.542 11.178 3.034 1.00 0.00 C ATOM 1269 CG ASN A 86 3.777 10.495 4.169 1.00 0.00 C ATOM 1270 OD1 ASN A 86 4.161 9.451 4.671 1.00 0.00 O ATOM 1271 ND2 ASN A 86 2.676 11.140 4.544 1.00 0.00 N ATOM 0 H ASN A 86 5.393 11.403 0.258 1.00 0.00 H new ATOM 0 HA ASN A 86 5.136 9.264 2.251 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.502 11.539 3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.986 12.049 2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.096 10.765 5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.412 12.010 4.081 1.00 0.00 H new ATOM 1278 N TYR A 87 2.636 9.111 1.647 1.00 0.00 N ATOM 1279 CA TYR A 87 1.338 8.834 1.055 1.00 0.00 C ATOM 1280 C TYR A 87 0.686 7.616 1.711 1.00 0.00 C ATOM 1281 O TYR A 87 1.307 6.940 2.530 1.00 0.00 O ATOM 1282 CB TYR A 87 1.604 8.524 -0.419 1.00 0.00 C ATOM 1283 CG TYR A 87 2.815 7.619 -0.656 1.00 0.00 C ATOM 1284 CD1 TYR A 87 2.712 6.259 -0.446 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.011 8.163 -1.080 1.00 0.00 C ATOM 1286 CE1 TYR A 87 3.851 5.407 -0.669 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.150 7.311 -1.302 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.014 5.975 -1.086 1.00 0.00 C ATOM 1289 OH TYR A 87 6.091 5.171 -1.296 1.00 0.00 O ATOM 0 H TYR A 87 2.862 8.544 2.464 1.00 0.00 H new ATOM 0 HA TYR A 87 0.666 9.682 1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.720 8.050 -0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.753 9.461 -0.956 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.776 5.833 -0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.092 9.227 -1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.783 4.341 -0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.092 7.724 -1.633 1.00 0.00 H new ATOM 0 HH TYR A 87 6.879 5.722 -1.483 1.00 0.00 H new ATOM 1299 N SER A 88 -0.559 7.372 1.327 1.00 0.00 N ATOM 1300 CA SER A 88 -1.302 6.247 1.867 1.00 0.00 C ATOM 1301 C SER A 88 -1.361 5.116 0.839 1.00 0.00 C ATOM 1302 O SER A 88 -0.800 5.232 -0.250 1.00 0.00 O ATOM 1303 CB SER A 88 -2.716 6.666 2.276 1.00 0.00 C ATOM 1304 OG SER A 88 -3.714 5.885 1.625 1.00 0.00 O ATOM 0 H SER A 88 -1.071 7.935 0.648 1.00 0.00 H new ATOM 0 HA SER A 88 -0.785 5.892 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.825 6.567 3.356 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.866 7.719 2.036 1.00 0.00 H new ATOM 0 HG SER A 88 -3.969 6.316 0.783 1.00 0.00 H new ATOM 1310 N PHE A 89 -2.044 4.047 1.220 1.00 0.00 N ATOM 1311 CA PHE A 89 -2.183 2.896 0.344 1.00 0.00 C ATOM 1312 C PHE A 89 -3.636 2.417 0.294 1.00 0.00 C ATOM 1313 O PHE A 89 -4.219 2.083 1.324 1.00 0.00 O ATOM 1314 CB PHE A 89 -1.312 1.782 0.928 1.00 0.00 C ATOM 1315 CG PHE A 89 0.188 2.084 0.897 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.803 2.350 -0.286 1.00 0.00 C ATOM 1317 CD2 PHE A 89 0.905 2.087 2.053 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.195 2.631 -0.315 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.297 2.367 2.024 1.00 0.00 C ATOM 1320 CZ PHE A 89 2.912 2.633 0.841 1.00 0.00 C ATOM 0 H PHE A 89 -2.507 3.953 2.124 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.880 3.161 -0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.615 1.601 1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.498 0.861 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.233 2.348 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.416 1.877 2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.684 2.843 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.867 2.369 2.941 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.971 2.846 0.819 1.00 0.00 H new ATOM 1330 N ARG A 90 -4.178 2.400 -0.915 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.551 1.968 -1.113 1.00 0.00 C ATOM 1332 C ARG A 90 -5.596 0.754 -2.044 1.00 0.00 C ATOM 1333 O ARG A 90 -5.061 0.796 -3.151 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.401 3.092 -1.710 1.00 0.00 C ATOM 1335 CG ARG A 90 -6.016 3.356 -3.167 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.561 4.704 -3.642 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.335 4.526 -4.890 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.169 5.446 -5.395 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.341 6.614 -4.761 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.830 5.198 -6.534 1.00 0.00 N ATOM 0 H ARG A 90 -3.691 2.678 -1.767 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.958 1.698 -0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.456 2.825 -1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.270 4.002 -1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.931 3.342 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.405 2.559 -3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.195 5.141 -2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.738 5.399 -3.811 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.227 3.648 -5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.837 6.803 -3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.976 7.314 -5.145 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.699 4.309 -7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.465 5.898 -6.918 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.240 -0.298 -1.561 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.363 -1.521 -2.335 1.00 0.00 C ATOM 1356 C VAL A 91 -7.775 -1.612 -2.917 1.00 0.00 C ATOM 1357 O VAL A 91 -8.759 -1.457 -2.196 1.00 0.00 O ATOM 1358 CB VAL A 91 -5.994 -2.728 -1.470 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.081 -4.026 -2.274 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.605 -2.556 -0.853 1.00 0.00 C ATOM 0 H VAL A 91 -6.682 -0.329 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.666 -1.514 -3.173 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.716 -2.790 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.814 -4.868 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.098 -4.158 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.393 -3.978 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.367 -3.428 -0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.864 -2.455 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.592 -1.662 -0.229 1.00 0.00 H new ATOM 1370 N MET A 92 -7.829 -1.863 -4.217 1.00 0.00 N ATOM 1371 CA MET A 92 -9.104 -1.976 -4.905 1.00 0.00 C ATOM 1372 C MET A 92 -9.347 -3.411 -5.377 1.00 0.00 C ATOM 1373 O MET A 92 -8.400 -4.167 -5.590 1.00 0.00 O ATOM 1374 CB MET A 92 -9.121 -1.033 -6.109 1.00 0.00 C ATOM 1375 CG MET A 92 -9.353 0.414 -5.669 1.00 0.00 C ATOM 1376 SD MET A 92 -8.143 1.485 -6.428 1.00 0.00 S ATOM 1377 CE MET A 92 -6.645 0.787 -5.753 1.00 0.00 C ATOM 0 H MET A 92 -7.010 -1.991 -4.812 1.00 0.00 H new ATOM 0 HA MET A 92 -9.896 -1.703 -4.208 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.175 -1.106 -6.646 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.906 -1.336 -6.802 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.358 0.731 -5.949 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.286 0.488 -4.584 1.00 0.00 H new ATOM 0 HE1 MET A 92 -5.885 1.564 -5.674 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.848 0.377 -4.764 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.286 -0.007 -6.408 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.621 -3.744 -5.526 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.000 -5.075 -5.969 1.00 0.00 C ATOM 1389 C ALA A 93 -11.807 -4.966 -7.264 1.00 0.00 C ATOM 1390 O ALA A 93 -12.726 -4.154 -7.361 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.777 -5.781 -4.856 1.00 0.00 C ATOM 0 H ALA A 93 -11.404 -3.115 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.115 -5.675 -6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.062 -6.779 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.150 -5.859 -3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.674 -5.208 -4.619 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.434 -5.796 -8.227 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.111 -5.803 -9.513 1.00 0.00 C ATOM 1399 C VAL A 94 -12.586 -7.223 -9.826 1.00 0.00 C ATOM 1400 O VAL A 94 -11.821 -8.179 -9.705 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.192 -5.228 -10.592 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -11.997 -4.762 -11.807 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.335 -4.091 -10.033 1.00 0.00 C ATOM 0 H VAL A 94 -10.672 -6.468 -8.143 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.994 -5.164 -9.484 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.522 -6.023 -10.919 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.319 -4.358 -12.559 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.543 -5.607 -12.227 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.703 -3.989 -11.501 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.691 -3.700 -10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.982 -3.295 -9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.721 -4.467 -9.215 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.846 -7.318 -10.224 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.432 -8.605 -10.555 1.00 0.00 C ATOM 1415 C ASN A 95 -15.180 -8.493 -11.886 1.00 0.00 C ATOM 1416 O ASN A 95 -15.025 -7.509 -12.607 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.433 -9.047 -9.486 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.625 -8.089 -9.422 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.853 -7.281 -10.306 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.369 -8.225 -8.328 1.00 0.00 N ATOM 0 H ASN A 95 -14.478 -6.524 -10.325 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.626 -9.336 -10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.784 -10.055 -9.706 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.940 -9.085 -8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.187 -7.632 -8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -17.121 -8.923 -7.626 1.00 0.00 H new ATOM 1427 N SER A 96 -15.974 -9.515 -12.170 1.00 0.00 N ATOM 1428 CA SER A 96 -16.745 -9.544 -13.401 1.00 0.00 C ATOM 1429 C SER A 96 -17.566 -8.259 -13.534 1.00 0.00 C ATOM 1430 O SER A 96 -17.718 -7.726 -14.632 1.00 0.00 O ATOM 1431 CB SER A 96 -17.663 -10.767 -13.447 1.00 0.00 C ATOM 1432 OG SER A 96 -17.357 -11.623 -14.544 1.00 0.00 O ATOM 0 H SER A 96 -16.100 -10.329 -11.569 1.00 0.00 H new ATOM 0 HA SER A 96 -16.051 -9.613 -14.238 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.571 -11.325 -12.515 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.700 -10.439 -13.521 1.00 0.00 H new ATOM 0 HG SER A 96 -17.964 -12.393 -14.537 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.073 -7.798 -12.400 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.873 -6.586 -12.376 1.00 0.00 C ATOM 1440 C ILE A 97 -18.001 -5.396 -12.779 1.00 0.00 C ATOM 1441 O ILE A 97 -18.082 -4.917 -13.910 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.551 -6.418 -11.014 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.334 -7.676 -10.633 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.430 -5.166 -10.990 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.552 -7.860 -11.540 1.00 0.00 C ATOM 0 H ILE A 97 -17.945 -8.243 -11.491 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.682 -6.650 -13.104 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.775 -6.281 -10.260 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.685 -8.549 -10.708 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.657 -7.607 -9.594 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.900 -5.070 -10.011 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.816 -4.287 -11.186 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.201 -5.248 -11.756 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.091 -8.761 -11.248 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.211 -6.997 -11.444 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.224 -7.953 -12.575 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.187 -4.952 -11.833 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.301 -3.826 -12.076 1.00 0.00 C ATOM 1459 C GLY A 98 -15.342 -3.620 -10.901 1.00 0.00 C ATOM 1460 O GLY A 98 -15.132 -4.529 -10.100 1.00 0.00 O ATOM 0 H GLY A 98 -17.122 -5.351 -10.897 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.731 -3.997 -12.989 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.890 -2.922 -12.232 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.785 -2.420 -10.837 1.00 0.00 N ATOM 1465 CA LYS A 99 -13.854 -2.083 -9.774 1.00 0.00 C ATOM 1466 C LYS A 99 -14.608 -1.378 -8.645 1.00 0.00 C ATOM 1467 O LYS A 99 -15.384 -0.456 -8.892 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.679 -1.273 -10.328 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.628 -1.022 -9.245 1.00 0.00 C ATOM 1470 CD LYS A 99 -10.265 -0.711 -9.866 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.140 0.777 -10.198 1.00 0.00 C ATOM 1472 NZ LYS A 99 -10.236 1.593 -8.967 1.00 0.00 N ATOM 0 H LYS A 99 -14.961 -1.669 -11.504 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.417 -2.987 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.226 -1.807 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.040 -0.321 -10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.942 -0.191 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.547 -1.898 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.472 -1.001 -9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.131 -1.302 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.188 0.966 -10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.926 1.067 -10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.870 2.548 -9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.230 1.656 -8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.675 1.149 -8.212 1.00 0.00 H new ATOM 1486 N SER A 100 -14.354 -1.839 -7.429 1.00 0.00 N ATOM 1487 CA SER A 100 -15.000 -1.264 -6.261 1.00 0.00 C ATOM 1488 C SER A 100 -14.205 -0.054 -5.766 1.00 0.00 C ATOM 1489 O SER A 100 -13.141 0.255 -6.300 1.00 0.00 O ATOM 1490 CB SER A 100 -15.140 -2.300 -5.144 1.00 0.00 C ATOM 1491 OG SER A 100 -13.888 -2.600 -4.533 1.00 0.00 O ATOM 0 H SER A 100 -13.710 -2.604 -7.227 1.00 0.00 H new ATOM 0 HA SER A 100 -16.001 -0.941 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.832 -1.927 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.573 -3.214 -5.550 1.00 0.00 H new ATOM 0 HG SER A 100 -13.905 -3.516 -4.184 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.752 0.598 -4.750 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.108 1.767 -4.177 1.00 0.00 C ATOM 1499 C LEU A 101 -12.797 1.345 -3.510 1.00 0.00 C ATOM 1500 O LEU A 101 -12.591 0.166 -3.227 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.067 2.501 -3.238 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.111 3.395 -3.911 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.168 3.855 -2.906 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.446 4.574 -4.624 1.00 0.00 C ATOM 0 H LEU A 101 -15.634 0.338 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 101 -13.853 2.483 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.588 1.760 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.478 3.114 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.624 2.807 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -17.898 4.489 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -17.672 2.985 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -16.688 4.419 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.210 5.193 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -14.890 5.170 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.763 4.200 -5.387 1.00 0.00 H new ATOM 1516 N PRO A 102 -11.921 2.359 -3.273 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.635 2.105 -2.645 1.00 0.00 C ATOM 1518 C PRO A 102 -10.799 1.849 -1.145 1.00 0.00 C ATOM 1519 O PRO A 102 -11.636 2.472 -0.493 1.00 0.00 O ATOM 1520 CB PRO A 102 -9.799 3.337 -2.949 1.00 0.00 C ATOM 1521 CG PRO A 102 -10.787 4.427 -3.333 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.130 3.767 -3.595 1.00 0.00 C ATOM 0 HA PRO A 102 -10.150 1.207 -3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.209 3.633 -2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.097 3.142 -3.760 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.873 5.163 -2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.443 4.958 -4.220 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -12.913 4.203 -2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.438 3.894 -4.633 1.00 0.00 H new ATOM 1530 N SER A 103 -9.986 0.932 -0.642 1.00 0.00 N ATOM 1531 CA SER A 103 -10.030 0.586 0.768 1.00 0.00 C ATOM 1532 C SER A 103 -9.926 1.852 1.621 1.00 0.00 C ATOM 1533 O SER A 103 -9.506 2.900 1.134 1.00 0.00 O ATOM 1534 CB SER A 103 -8.911 -0.392 1.131 1.00 0.00 C ATOM 1535 OG SER A 103 -7.818 0.260 1.772 1.00 0.00 O ATOM 0 H SER A 103 -9.293 0.418 -1.186 1.00 0.00 H new ATOM 0 HA SER A 103 -10.983 0.096 0.970 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.306 -1.167 1.788 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.557 -0.889 0.228 1.00 0.00 H new ATOM 0 HG SER A 103 -7.880 0.126 2.741 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.314 1.712 2.880 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.270 2.832 3.805 1.00 0.00 C ATOM 1543 C GLU A 104 -9.039 3.699 3.531 1.00 0.00 C ATOM 1544 O GLU A 104 -9.122 4.689 2.805 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.285 2.345 5.256 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.640 2.620 5.912 1.00 0.00 C ATOM 1547 CD GLU A 104 -11.660 4.000 6.572 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -10.678 4.302 7.285 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -12.656 4.721 6.349 1.00 0.00 O ATOM 0 H GLU A 104 -10.660 0.840 3.281 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.161 3.441 3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.072 1.276 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.496 2.844 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.430 2.560 5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.849 1.853 6.658 1.00 0.00 H new ATOM 1556 N ALA A 105 -7.926 3.295 4.125 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.680 4.023 3.954 1.00 0.00 C ATOM 1558 C ALA A 105 -5.705 3.625 5.064 1.00 0.00 C ATOM 1559 O ALA A 105 -5.708 4.221 6.140 1.00 0.00 O ATOM 1560 CB ALA A 105 -6.964 5.526 3.938 1.00 0.00 C ATOM 0 H ALA A 105 -7.861 2.473 4.725 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.216 3.770 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.029 6.072 3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.637 5.760 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.429 5.819 4.880 1.00 0.00 H new ATOM 1566 N SER A 106 -4.895 2.620 4.764 1.00 0.00 N ATOM 1567 CA SER A 106 -3.917 2.136 5.723 1.00 0.00 C ATOM 1568 C SER A 106 -3.160 3.314 6.339 1.00 0.00 C ATOM 1569 O SER A 106 -3.280 4.446 5.872 1.00 0.00 O ATOM 1570 CB SER A 106 -2.938 1.161 5.067 1.00 0.00 C ATOM 1571 OG SER A 106 -2.663 0.038 5.900 1.00 0.00 O ATOM 0 H SER A 106 -4.896 2.128 3.871 1.00 0.00 H new ATOM 0 HA SER A 106 -4.447 1.601 6.511 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.350 0.816 4.119 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.007 1.680 4.840 1.00 0.00 H new ATOM 0 HG SER A 106 -2.035 -0.561 5.445 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.397 3.008 7.378 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.620 4.028 8.063 1.00 0.00 C ATOM 1579 C GLU A 107 -0.806 4.841 7.054 1.00 0.00 C ATOM 1580 O GLU A 107 -0.736 4.487 5.878 1.00 0.00 O ATOM 1581 CB GLU A 107 -0.713 3.405 9.126 1.00 0.00 C ATOM 1582 CG GLU A 107 0.184 2.325 8.516 1.00 0.00 C ATOM 1583 CD GLU A 107 1.621 2.828 8.363 1.00 0.00 C ATOM 1584 OE1 GLU A 107 2.263 3.040 9.415 1.00 0.00 O ATOM 1585 OE2 GLU A 107 2.044 2.990 7.199 1.00 0.00 O ATOM 0 H GLU A 107 -2.300 2.068 7.762 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.309 4.702 8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.097 4.179 9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.321 2.972 9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.171 1.437 9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.207 2.029 7.543 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.210 5.915 7.552 1.00 0.00 N ATOM 1593 CA GLN A 108 0.597 6.780 6.709 1.00 0.00 C ATOM 1594 C GLN A 108 2.075 6.395 6.813 1.00 0.00 C ATOM 1595 O GLN A 108 2.761 6.800 7.750 1.00 0.00 O ATOM 1596 CB GLN A 108 0.387 8.251 7.074 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.564 8.930 6.086 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.291 10.434 6.007 1.00 0.00 C ATOM 1599 OE1 GLN A 108 0.026 11.086 6.988 1.00 0.00 O ATOM 1600 NE2 GLN A 108 -0.431 10.945 4.788 1.00 0.00 N ATOM 0 H GLN A 108 -0.270 6.205 8.528 1.00 0.00 H new ATOM 0 HA GLN A 108 0.279 6.647 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.018 8.325 8.083 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.346 8.769 7.076 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.448 8.483 5.099 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.596 8.760 6.393 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.699 10.342 4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -0.271 11.940 4.631 1.00 0.00 H new ATOM 1609 N TYR A 109 2.521 5.618 5.837 1.00 0.00 N ATOM 1610 CA TYR A 109 3.904 5.174 5.807 1.00 0.00 C ATOM 1611 C TYR A 109 4.827 6.289 5.311 1.00 0.00 C ATOM 1612 O TYR A 109 4.686 6.760 4.183 1.00 0.00 O ATOM 1613 CB TYR A 109 3.951 4.009 4.816 1.00 0.00 C ATOM 1614 CG TYR A 109 5.189 3.121 4.959 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.449 3.679 4.902 1.00 0.00 C ATOM 1616 CD2 TYR A 109 5.044 1.761 5.145 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.614 2.843 5.036 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.208 0.925 5.280 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.436 1.507 5.219 1.00 0.00 C ATOM 1620 OH TYR A 109 8.536 0.717 5.346 1.00 0.00 O ATOM 0 H TYR A 109 1.949 5.285 5.061 1.00 0.00 H new ATOM 0 HA TYR A 109 4.237 4.888 6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 109 3.059 3.396 4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.917 4.406 3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.562 4.743 4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.057 1.324 5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.606 3.267 4.992 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.109 -0.140 5.426 1.00 0.00 H new ATOM 0 HH TYR A 109 8.257 -0.214 5.472 1.00 0.00 H new ATOM 1630 N LEU A 110 5.751 6.678 6.177 1.00 0.00 N ATOM 1631 CA LEU A 110 6.697 7.728 5.840 1.00 0.00 C ATOM 1632 C LEU A 110 8.111 7.271 6.205 1.00 0.00 C ATOM 1633 O LEU A 110 8.486 7.277 7.377 1.00 0.00 O ATOM 1634 CB LEU A 110 6.288 9.048 6.498 1.00 0.00 C ATOM 1635 CG LEU A 110 6.759 10.322 5.794 1.00 0.00 C ATOM 1636 CD1 LEU A 110 7.051 11.432 6.806 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.963 10.037 4.892 1.00 0.00 C ATOM 0 H LEU A 110 5.865 6.285 7.111 1.00 0.00 H new ATOM 0 HA LEU A 110 6.690 7.917 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.201 9.075 6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.672 9.057 7.518 1.00 0.00 H new ATOM 0 HG LEU A 110 5.952 10.676 5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.384 12.326 6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.146 11.659 7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.832 11.103 7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.278 10.959 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.784 9.646 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.685 9.302 4.136 1.00 0.00 H new