USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 806 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 76 TYR OH : rot -134:sc= 0.652 USER MOD Set 1.2: A 80 MET CE :methyl 177:sc= -1.03 (180deg=-1.14) USER MOD Set 2.1: A 38 SER OG : rot -86:sc= 0.717 USER MOD Set 2.2: A 70 LYS NZ :NH3+ -147:sc= 0.156 (180deg=-0.0355) USER MOD Single : A 14 ASN : amide:sc= -0.0888 X(o=-0.089,f=-0.039) USER MOD Single : A 17 ASN : amide:sc= 0.584 K(o=0.58,f=-0.24) USER MOD Single : A 19 THR OG1 : rot -7:sc= 0.381 USER MOD Single : A 25 LYS NZ :NH3+ 146:sc= 0.0102 (180deg=-0.193) USER MOD Single : A 26 SER OG : rot -47:sc= 0.158 USER MOD Single : A 27 SER OG : rot 27:sc= -3.19 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 63:sc= 1.26 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -2:sc= 0.696 USER MOD Single : A 40 SER OG : rot 150:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.356 K(o=-0.36,f=-4!) USER MOD Single : A 54 SER OG : rot 150:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -2.73! K(o=-2.7!,f=-1.1) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.377 USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 0.681 (180deg=-1.3) USER MOD Single : A 62 THR OG1 : rot -49:sc= -1.39! USER MOD Single : A 64 ASN : amide:sc= -2.42! C(o=-2.4!,f=-2.7!) USER MOD Single : A 66 ASN : amide:sc= -1.68 K(o=-1.7,f=-5.8!) USER MOD Single : A 72 ASN : amide:sc= -0.996 K(o=-1,f=0.037) USER MOD Single : A 73 ASN : amide:sc= -0.747 K(o=-0.75,f=-2.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.252 USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= -0.0258 (180deg=-0.209) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -2.35! C(o=-2.4!,f=-6.3!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -173:sc= -7.07! (180deg=-7.38!) USER MOD Single : A 104 MET CE :methyl -139:sc= -0.199 (180deg=-1.89!) USER MOD Single : A 105 THR OG1 : rot -163:sc= 0.158 USER MOD Single : A 109 CYS SG : rot 101:sc= -1.25 USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 12.945 3.450 6.607 1.00 0.00 N ATOM 93 CA ASP A 10 12.840 4.600 5.716 1.00 0.00 C ATOM 94 C ASP A 10 12.471 4.159 4.303 1.00 0.00 C ATOM 95 O ASP A 10 11.619 4.768 3.655 1.00 0.00 O ATOM 96 CB ASP A 10 14.157 5.378 5.693 1.00 0.00 C ATOM 97 CG ASP A 10 14.530 5.924 7.057 1.00 0.00 C ATOM 98 OD1 ASP A 10 13.827 6.835 7.544 1.00 0.00 O ATOM 99 OD2 ASP A 10 15.524 5.441 7.639 1.00 0.00 O ATOM 0 HA ASP A 10 12.051 5.250 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.954 4.727 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.076 6.202 4.984 1.00 0.00 H new ATOM 104 N ILE A 11 13.118 3.099 3.831 1.00 0.00 N ATOM 105 CA ILE A 11 12.856 2.578 2.495 1.00 0.00 C ATOM 106 C ILE A 11 11.386 2.213 2.325 1.00 0.00 C ATOM 107 O ILE A 11 10.910 2.020 1.205 1.00 0.00 O ATOM 108 CB ILE A 11 13.719 1.337 2.197 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.625 0.967 0.715 1.00 0.00 C ATOM 110 CG2 ILE A 11 13.287 0.168 3.068 1.00 0.00 C ATOM 111 CD1 ILE A 11 14.844 0.241 0.194 1.00 0.00 C ATOM 0 H ILE A 11 13.827 2.584 4.353 1.00 0.00 H new ATOM 0 HA ILE A 11 13.114 3.369 1.791 1.00 0.00 H new ATOM 0 HB ILE A 11 14.758 1.572 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.746 0.341 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.476 1.875 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.907 -0.700 2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.401 0.435 4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.243 -0.070 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.706 0.011 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.724 0.873 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.982 -0.685 0.752 1.00 0.00 H new ATOM 123 N ILE A 12 10.671 2.123 3.441 1.00 0.00 N ATOM 124 CA ILE A 12 9.253 1.784 3.414 1.00 0.00 C ATOM 125 C ILE A 12 8.479 2.730 2.503 1.00 0.00 C ATOM 126 O ILE A 12 7.472 2.350 1.907 1.00 0.00 O ATOM 127 CB ILE A 12 8.638 1.829 4.826 1.00 0.00 C ATOM 128 CG1 ILE A 12 9.337 0.825 5.744 1.00 0.00 C ATOM 129 CG2 ILE A 12 7.144 1.546 4.761 1.00 0.00 C ATOM 130 CD1 ILE A 12 8.710 0.722 7.117 1.00 0.00 C ATOM 0 H ILE A 12 11.050 2.280 4.375 1.00 0.00 H new ATOM 0 HA ILE A 12 9.178 0.768 3.026 1.00 0.00 H new ATOM 0 HB ILE A 12 8.782 2.828 5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.322 -0.158 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.383 1.111 5.852 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.723 1.581 5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.658 2.297 4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.979 0.557 4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.257 -0.008 7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.749 1.694 7.609 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.671 0.406 7.020 1.00 0.00 H new ATOM 142 N VAL A 13 8.958 3.966 2.399 1.00 0.00 N ATOM 143 CA VAL A 13 8.313 4.967 1.558 1.00 0.00 C ATOM 144 C VAL A 13 8.919 4.983 0.159 1.00 0.00 C ATOM 145 O VAL A 13 8.202 4.936 -0.840 1.00 0.00 O ATOM 146 CB VAL A 13 8.429 6.375 2.171 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.865 7.420 1.221 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.721 6.429 3.517 1.00 0.00 C ATOM 0 H VAL A 13 9.790 4.298 2.887 1.00 0.00 H new ATOM 0 HA VAL A 13 7.260 4.693 1.492 1.00 0.00 H new ATOM 0 HB VAL A 13 9.484 6.597 2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.956 8.408 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.420 7.396 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.814 7.205 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.813 7.431 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.667 6.187 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.176 5.708 4.197 1.00 0.00 H new ATOM 158 N ASN A 14 10.245 5.048 0.095 1.00 0.00 N ATOM 159 CA ASN A 14 10.949 5.070 -1.182 1.00 0.00 C ATOM 160 C ASN A 14 10.430 3.974 -2.108 1.00 0.00 C ATOM 161 O ASN A 14 9.944 4.252 -3.204 1.00 0.00 O ATOM 162 CB ASN A 14 12.453 4.898 -0.962 1.00 0.00 C ATOM 163 CG ASN A 14 13.197 4.616 -2.253 1.00 0.00 C ATOM 164 OD1 ASN A 14 13.887 3.604 -2.376 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.060 5.512 -3.223 1.00 0.00 N ATOM 0 H ASN A 14 10.854 5.086 0.913 1.00 0.00 H new ATOM 0 HA ASN A 14 10.766 6.036 -1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.856 5.801 -0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.624 4.081 -0.261 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.537 5.376 -4.114 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.478 6.337 -3.077 1.00 0.00 H new ATOM 172 N TRP A 15 10.536 2.729 -1.659 1.00 0.00 N ATOM 173 CA TRP A 15 10.077 1.591 -2.446 1.00 0.00 C ATOM 174 C TRP A 15 8.707 1.869 -3.058 1.00 0.00 C ATOM 175 O TRP A 15 8.570 1.969 -4.277 1.00 0.00 O ATOM 176 CB TRP A 15 10.016 0.334 -1.578 1.00 0.00 C ATOM 177 CG TRP A 15 9.740 -0.916 -2.358 1.00 0.00 C ATOM 178 CD1 TRP A 15 10.541 -1.480 -3.309 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.584 -1.752 -2.256 1.00 0.00 C ATOM 180 NE1 TRP A 15 9.951 -2.619 -3.804 1.00 0.00 N ATOM 181 CE2 TRP A 15 8.750 -2.808 -3.173 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.424 -1.715 -1.476 1.00 0.00 C ATOM 183 CZ2 TRP A 15 7.800 -3.814 -3.332 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.481 -2.714 -1.636 1.00 0.00 C ATOM 185 CH2 TRP A 15 6.675 -3.751 -2.557 1.00 0.00 C ATOM 0 H TRP A 15 10.936 2.482 -0.754 1.00 0.00 H new ATOM 0 HA TRP A 15 10.790 1.430 -3.255 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.962 0.221 -1.048 1.00 0.00 H new ATOM 0 HB3 TRP A 15 9.241 0.461 -0.823 1.00 0.00 H new ATOM 0 HD1 TRP A 15 11.497 -1.089 -3.626 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.344 -3.225 -4.524 1.00 0.00 H new ATOM 0 HE3 TRP A 15 7.267 -0.921 -0.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.946 -4.615 -4.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.580 -2.694 -1.041 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.920 -4.517 -2.657 1.00 0.00 H new ATOM 196 N VAL A 16 7.697 1.992 -2.203 1.00 0.00 N ATOM 197 CA VAL A 16 6.338 2.260 -2.660 1.00 0.00 C ATOM 198 C VAL A 16 6.334 3.233 -3.834 1.00 0.00 C ATOM 199 O VAL A 16 5.660 3.008 -4.837 1.00 0.00 O ATOM 200 CB VAL A 16 5.469 2.836 -1.527 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.071 3.156 -2.035 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.409 1.866 -0.356 1.00 0.00 C ATOM 0 H VAL A 16 7.794 1.910 -1.191 1.00 0.00 H new ATOM 0 HA VAL A 16 5.918 1.307 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 16 5.925 3.763 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.472 3.562 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.135 3.890 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.603 2.246 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.791 2.289 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.978 0.922 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.416 1.692 0.024 1.00 0.00 H new ATOM 212 N ASN A 17 7.094 4.315 -3.699 1.00 0.00 N ATOM 213 CA ASN A 17 7.178 5.324 -4.749 1.00 0.00 C ATOM 214 C ASN A 17 7.895 4.773 -5.978 1.00 0.00 C ATOM 215 O ASN A 17 7.527 5.077 -7.111 1.00 0.00 O ATOM 216 CB ASN A 17 7.908 6.567 -4.234 1.00 0.00 C ATOM 217 CG ASN A 17 7.007 7.467 -3.411 1.00 0.00 C ATOM 218 OD1 ASN A 17 6.254 8.275 -3.954 1.00 0.00 O ATOM 219 ND2 ASN A 17 7.081 7.331 -2.092 1.00 0.00 N ATOM 0 H ASN A 17 7.660 4.516 -2.874 1.00 0.00 H new ATOM 0 HA ASN A 17 6.163 5.599 -5.035 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.761 6.259 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.304 7.129 -5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.499 7.910 -1.486 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.720 6.648 -1.685 1.00 0.00 H new ATOM 226 N GLU A 18 8.920 3.959 -5.742 1.00 0.00 N ATOM 227 CA GLU A 18 9.688 3.365 -6.830 1.00 0.00 C ATOM 228 C GLU A 18 8.840 2.366 -7.612 1.00 0.00 C ATOM 229 O GLU A 18 8.483 2.605 -8.766 1.00 0.00 O ATOM 230 CB GLU A 18 10.937 2.673 -6.282 1.00 0.00 C ATOM 231 CG GLU A 18 12.148 3.586 -6.189 1.00 0.00 C ATOM 232 CD GLU A 18 13.459 2.832 -6.304 1.00 0.00 C ATOM 233 OE1 GLU A 18 13.459 1.732 -6.895 1.00 0.00 O ATOM 234 OE2 GLU A 18 14.482 3.341 -5.804 1.00 0.00 O ATOM 0 H GLU A 18 9.237 3.696 -4.809 1.00 0.00 H new ATOM 0 HA GLU A 18 9.992 4.164 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.716 2.274 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.181 1.824 -6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.094 4.336 -6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.123 4.121 -5.239 1.00 0.00 H new ATOM 241 N THR A 19 8.523 1.243 -6.975 1.00 0.00 N ATOM 242 CA THR A 19 7.719 0.206 -7.610 1.00 0.00 C ATOM 243 C THR A 19 6.604 0.813 -8.453 1.00 0.00 C ATOM 244 O THR A 19 6.269 0.300 -9.521 1.00 0.00 O ATOM 245 CB THR A 19 7.100 -0.743 -6.566 1.00 0.00 C ATOM 246 OG1 THR A 19 6.928 -2.047 -7.131 1.00 0.00 O ATOM 247 CG2 THR A 19 5.759 -0.214 -6.082 1.00 0.00 C ATOM 0 H THR A 19 8.811 1.029 -6.020 1.00 0.00 H new ATOM 0 HA THR A 19 8.389 -0.363 -8.255 1.00 0.00 H new ATOM 0 HB THR A 19 7.778 -0.803 -5.714 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.129 -2.017 -8.090 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.341 -0.901 -5.346 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.898 0.766 -5.626 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.075 -0.128 -6.927 1.00 0.00 H new ATOM 255 N LEU A 20 6.032 1.909 -7.968 1.00 0.00 N ATOM 256 CA LEU A 20 4.953 2.588 -8.678 1.00 0.00 C ATOM 257 C LEU A 20 5.479 3.285 -9.929 1.00 0.00 C ATOM 258 O LEU A 20 4.890 3.179 -11.004 1.00 0.00 O ATOM 259 CB LEU A 20 4.274 3.607 -7.760 1.00 0.00 C ATOM 260 CG LEU A 20 3.410 3.028 -6.639 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.124 4.087 -5.585 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.111 2.468 -7.201 1.00 0.00 C ATOM 0 H LEU A 20 6.297 2.347 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 20 4.222 1.838 -8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.045 4.233 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.651 4.259 -8.372 1.00 0.00 H new ATOM 0 HG LEU A 20 3.959 2.213 -6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.508 3.657 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.064 4.441 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.595 4.923 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.509 2.060 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.557 3.264 -7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.335 1.678 -7.918 1.00 0.00 H new ATOM 274 N ARG A 21 6.591 3.997 -9.780 1.00 0.00 N ATOM 275 CA ARG A 21 7.197 4.710 -10.899 1.00 0.00 C ATOM 276 C ARG A 21 7.569 3.746 -12.021 1.00 0.00 C ATOM 277 O ARG A 21 7.179 3.938 -13.172 1.00 0.00 O ATOM 278 CB ARG A 21 8.439 5.471 -10.433 1.00 0.00 C ATOM 279 CG ARG A 21 8.923 6.515 -11.427 1.00 0.00 C ATOM 280 CD ARG A 21 8.273 7.866 -11.175 1.00 0.00 C ATOM 281 NE ARG A 21 8.702 8.869 -12.147 1.00 0.00 N ATOM 282 CZ ARG A 21 8.618 10.178 -11.938 1.00 0.00 C ATOM 283 NH1 ARG A 21 8.124 10.641 -10.798 1.00 0.00 N ATOM 284 NH2 ARG A 21 9.029 11.028 -12.871 1.00 0.00 N ATOM 0 H ARG A 21 7.091 4.096 -8.896 1.00 0.00 H new ATOM 0 HA ARG A 21 6.466 5.421 -11.283 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.220 5.960 -9.484 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.243 4.759 -10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.006 6.612 -11.356 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.698 6.185 -12.441 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.189 7.760 -11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.521 8.206 -10.170 1.00 0.00 H new ATOM 0 HE ARG A 21 9.087 8.546 -13.035 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.807 9.991 -10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.061 11.647 -10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.410 10.676 -13.749 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.964 12.033 -12.710 1.00 0.00 H new ATOM 298 N GLU A 22 8.327 2.709 -11.677 1.00 0.00 N ATOM 299 CA GLU A 22 8.752 1.716 -12.657 1.00 0.00 C ATOM 300 C GLU A 22 7.551 1.118 -13.382 1.00 0.00 C ATOM 301 O GLU A 22 7.635 0.767 -14.559 1.00 0.00 O ATOM 302 CB GLU A 22 9.554 0.605 -11.974 1.00 0.00 C ATOM 303 CG GLU A 22 8.879 0.040 -10.735 1.00 0.00 C ATOM 304 CD GLU A 22 8.020 -1.171 -11.041 1.00 0.00 C ATOM 305 OE1 GLU A 22 7.744 -1.416 -12.234 1.00 0.00 O ATOM 306 OE2 GLU A 22 7.624 -1.873 -10.088 1.00 0.00 O ATOM 0 H GLU A 22 8.659 2.535 -10.728 1.00 0.00 H new ATOM 0 HA GLU A 22 9.386 2.215 -13.390 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.720 -0.203 -12.687 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.534 0.993 -11.698 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.640 -0.234 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.261 0.813 -10.278 1.00 0.00 H new ATOM 313 N ALA A 23 6.433 1.005 -12.672 1.00 0.00 N ATOM 314 CA ALA A 23 5.214 0.453 -13.249 1.00 0.00 C ATOM 315 C ALA A 23 4.402 1.532 -13.956 1.00 0.00 C ATOM 316 O ALA A 23 3.440 1.234 -14.663 1.00 0.00 O ATOM 317 CB ALA A 23 4.377 -0.217 -12.169 1.00 0.00 C ATOM 0 H ALA A 23 6.347 1.289 -11.696 1.00 0.00 H new ATOM 0 HA ALA A 23 5.498 -0.294 -13.990 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.469 -0.625 -12.613 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.951 -1.023 -11.711 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.110 0.516 -11.408 1.00 0.00 H new ATOM 323 N GLU A 24 4.796 2.786 -13.760 1.00 0.00 N ATOM 324 CA GLU A 24 4.103 3.909 -14.379 1.00 0.00 C ATOM 325 C GLU A 24 2.754 4.153 -13.709 1.00 0.00 C ATOM 326 O GLU A 24 1.732 4.301 -14.379 1.00 0.00 O ATOM 327 CB GLU A 24 3.902 3.653 -15.875 1.00 0.00 C ATOM 328 CG GLU A 24 5.120 3.053 -16.558 1.00 0.00 C ATOM 329 CD GLU A 24 6.062 4.109 -17.102 1.00 0.00 C ATOM 330 OE1 GLU A 24 6.685 4.825 -16.289 1.00 0.00 O ATOM 331 OE2 GLU A 24 6.178 4.219 -18.340 1.00 0.00 O ATOM 0 H GLU A 24 5.591 3.050 -13.178 1.00 0.00 H new ATOM 0 HA GLU A 24 4.720 4.798 -14.249 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.053 2.983 -16.010 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.647 4.593 -16.365 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.657 2.423 -15.848 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.794 2.408 -17.373 1.00 0.00 H new ATOM 338 N LYS A 25 2.759 4.192 -12.380 1.00 0.00 N ATOM 339 CA LYS A 25 1.537 4.418 -11.617 1.00 0.00 C ATOM 340 C LYS A 25 1.328 5.906 -11.352 1.00 0.00 C ATOM 341 O LYS A 25 2.288 6.665 -11.229 1.00 0.00 O ATOM 342 CB LYS A 25 1.592 3.657 -10.291 1.00 0.00 C ATOM 343 CG LYS A 25 1.018 2.253 -10.371 1.00 0.00 C ATOM 344 CD LYS A 25 1.487 1.529 -11.622 1.00 0.00 C ATOM 345 CE LYS A 25 0.767 0.201 -11.801 1.00 0.00 C ATOM 346 NZ LYS A 25 0.747 -0.231 -13.227 1.00 0.00 N ATOM 0 H LYS A 25 3.596 4.070 -11.810 1.00 0.00 H new ATOM 0 HA LYS A 25 0.697 4.050 -12.206 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.628 3.598 -9.958 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.046 4.221 -9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.316 1.687 -9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.071 2.303 -10.365 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.313 2.159 -12.495 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.562 1.356 -11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.257 -0.562 -11.197 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.255 0.290 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.806 -1.268 -13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.136 0.088 -13.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.558 0.186 -13.727 1.00 0.00 H new ATOM 360 N SER A 26 0.066 6.315 -11.265 1.00 0.00 N ATOM 361 CA SER A 26 -0.268 7.712 -11.018 1.00 0.00 C ATOM 362 C SER A 26 -0.480 7.965 -9.528 1.00 0.00 C ATOM 363 O SER A 26 -1.063 8.974 -9.135 1.00 0.00 O ATOM 364 CB SER A 26 -1.527 8.102 -11.796 1.00 0.00 C ATOM 365 OG SER A 26 -1.630 9.510 -11.925 1.00 0.00 O ATOM 0 H SER A 26 -0.741 5.699 -11.362 1.00 0.00 H new ATOM 0 HA SER A 26 0.567 8.325 -11.358 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.504 7.644 -12.785 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.409 7.715 -11.285 1.00 0.00 H new ATOM 0 HG SER A 26 -1.471 9.931 -11.054 1.00 0.00 H new ATOM 371 N SER A 27 -0.002 7.038 -8.704 1.00 0.00 N ATOM 372 CA SER A 27 -0.142 7.156 -7.257 1.00 0.00 C ATOM 373 C SER A 27 1.207 7.442 -6.603 1.00 0.00 C ATOM 374 O SER A 27 2.259 7.230 -7.206 1.00 0.00 O ATOM 375 CB SER A 27 -0.742 5.876 -6.674 1.00 0.00 C ATOM 376 OG SER A 27 -1.191 6.081 -5.345 1.00 0.00 O ATOM 0 H SER A 27 0.485 6.197 -9.013 1.00 0.00 H new ATOM 0 HA SER A 27 -0.813 7.990 -7.049 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.574 5.545 -7.295 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.004 5.081 -6.691 1.00 0.00 H new ATOM 0 HG SER A 27 -1.425 7.024 -5.221 1.00 0.00 H new ATOM 382 N SER A 28 1.167 7.924 -5.365 1.00 0.00 N ATOM 383 CA SER A 28 2.385 8.242 -4.629 1.00 0.00 C ATOM 384 C SER A 28 2.061 8.663 -3.199 1.00 0.00 C ATOM 385 O SER A 28 0.951 9.109 -2.907 1.00 0.00 O ATOM 386 CB SER A 28 3.157 9.357 -5.337 1.00 0.00 C ATOM 387 OG SER A 28 2.528 10.614 -5.149 1.00 0.00 O ATOM 0 H SER A 28 0.305 8.103 -4.851 1.00 0.00 H new ATOM 0 HA SER A 28 3.004 7.345 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.177 9.397 -4.954 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.225 9.137 -6.402 1.00 0.00 H new ATOM 0 HG SER A 28 3.042 11.309 -5.610 1.00 0.00 H new ATOM 393 N ILE A 29 3.038 8.516 -2.310 1.00 0.00 N ATOM 394 CA ILE A 29 2.858 8.881 -0.910 1.00 0.00 C ATOM 395 C ILE A 29 3.993 9.776 -0.425 1.00 0.00 C ATOM 396 O ILE A 29 5.160 9.541 -0.739 1.00 0.00 O ATOM 397 CB ILE A 29 2.781 7.634 -0.009 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.859 6.624 -0.406 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.399 7.003 -0.094 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.294 5.725 0.731 1.00 0.00 C ATOM 0 H ILE A 29 3.962 8.147 -2.534 1.00 0.00 H new ATOM 0 HA ILE A 29 1.916 9.426 -0.844 1.00 0.00 H new ATOM 0 HB ILE A 29 2.957 7.938 1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.484 6.007 -1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.728 7.162 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.361 6.123 0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.649 7.724 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.196 6.710 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.060 5.035 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.699 6.332 1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.437 5.159 1.096 1.00 0.00 H new ATOM 412 N SER A 30 3.643 10.802 0.344 1.00 0.00 N ATOM 413 CA SER A 30 4.632 11.734 0.872 1.00 0.00 C ATOM 414 C SER A 30 5.292 11.173 2.128 1.00 0.00 C ATOM 415 O SER A 30 6.496 11.320 2.328 1.00 0.00 O ATOM 416 CB SER A 30 3.978 13.082 1.183 1.00 0.00 C ATOM 417 OG SER A 30 3.556 13.730 -0.004 1.00 0.00 O ATOM 0 H SER A 30 2.682 11.009 0.615 1.00 0.00 H new ATOM 0 HA SER A 30 5.401 11.878 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.123 12.931 1.842 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.684 13.718 1.717 1.00 0.00 H new ATOM 0 HG SER A 30 3.140 14.588 0.222 1.00 0.00 H new ATOM 423 N SER A 31 4.491 10.530 2.972 1.00 0.00 N ATOM 424 CA SER A 31 4.994 9.950 4.211 1.00 0.00 C ATOM 425 C SER A 31 3.911 9.133 4.908 1.00 0.00 C ATOM 426 O SER A 31 2.733 9.214 4.558 1.00 0.00 O ATOM 427 CB SER A 31 5.499 11.050 5.146 1.00 0.00 C ATOM 428 OG SER A 31 6.869 11.328 4.913 1.00 0.00 O ATOM 0 H SER A 31 3.491 10.398 2.820 1.00 0.00 H new ATOM 0 HA SER A 31 5.822 9.286 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.911 11.956 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.358 10.744 6.183 1.00 0.00 H new ATOM 0 HG SER A 31 6.984 11.664 3.999 1.00 0.00 H new ATOM 434 N PHE A 32 4.317 8.342 5.897 1.00 0.00 N ATOM 435 CA PHE A 32 3.383 7.509 6.643 1.00 0.00 C ATOM 436 C PHE A 32 2.087 8.263 6.925 1.00 0.00 C ATOM 437 O PHE A 32 1.023 7.661 7.072 1.00 0.00 O ATOM 438 CB PHE A 32 4.014 7.049 7.958 1.00 0.00 C ATOM 439 CG PHE A 32 5.170 6.109 7.771 1.00 0.00 C ATOM 440 CD1 PHE A 32 5.004 4.911 7.093 1.00 0.00 C ATOM 441 CD2 PHE A 32 6.423 6.421 8.273 1.00 0.00 C ATOM 442 CE1 PHE A 32 6.065 4.044 6.920 1.00 0.00 C ATOM 443 CE2 PHE A 32 7.489 5.557 8.102 1.00 0.00 C ATOM 444 CZ PHE A 32 7.311 4.367 7.424 1.00 0.00 C ATOM 0 H PHE A 32 5.288 8.261 6.200 1.00 0.00 H new ATOM 0 HA PHE A 32 3.150 6.635 6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.353 7.923 8.514 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.253 6.560 8.566 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.034 4.653 6.695 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.569 7.350 8.804 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.921 3.114 6.391 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.460 5.813 8.499 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.142 3.691 7.288 1.00 0.00 H new ATOM 454 N LYS A 33 2.183 9.587 7.000 1.00 0.00 N ATOM 455 CA LYS A 33 1.021 10.425 7.264 1.00 0.00 C ATOM 456 C LYS A 33 0.530 11.094 5.983 1.00 0.00 C ATOM 457 O LYS A 33 0.178 12.273 5.984 1.00 0.00 O ATOM 458 CB LYS A 33 1.361 11.490 8.309 1.00 0.00 C ATOM 459 CG LYS A 33 1.673 10.918 9.681 1.00 0.00 C ATOM 460 CD LYS A 33 1.492 11.959 10.773 1.00 0.00 C ATOM 461 CE LYS A 33 0.045 12.035 11.237 1.00 0.00 C ATOM 462 NZ LYS A 33 -0.088 12.778 12.520 1.00 0.00 N ATOM 0 H LYS A 33 3.055 10.102 6.881 1.00 0.00 H new ATOM 0 HA LYS A 33 0.225 9.788 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.218 12.067 7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.524 12.183 8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.022 10.066 9.878 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.698 10.547 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.134 11.715 11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.808 12.934 10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.557 12.523 10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.351 11.027 11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.089 12.807 12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.466 12.298 13.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.266 13.748 12.398 1.00 0.00 H new ATOM 476 N ASP A 34 0.509 10.332 4.895 1.00 0.00 N ATOM 477 CA ASP A 34 0.058 10.849 3.608 1.00 0.00 C ATOM 478 C ASP A 34 -1.465 10.857 3.528 1.00 0.00 C ATOM 479 O ASP A 34 -2.130 9.859 3.809 1.00 0.00 O ATOM 480 CB ASP A 34 0.638 10.013 2.466 1.00 0.00 C ATOM 481 CG ASP A 34 -0.074 10.256 1.151 1.00 0.00 C ATOM 482 OD1 ASP A 34 0.246 11.258 0.478 1.00 0.00 O ATOM 483 OD2 ASP A 34 -0.953 9.443 0.793 1.00 0.00 O ATOM 0 H ASP A 34 0.799 9.354 4.878 1.00 0.00 H new ATOM 0 HA ASP A 34 0.413 11.875 3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.697 10.246 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.570 8.956 2.723 1.00 0.00 H new ATOM 488 N PRO A 35 -2.032 12.007 3.137 1.00 0.00 N ATOM 489 CA PRO A 35 -3.484 12.171 3.012 1.00 0.00 C ATOM 490 C PRO A 35 -4.058 11.378 1.843 1.00 0.00 C ATOM 491 O PRO A 35 -5.191 10.898 1.901 1.00 0.00 O ATOM 492 CB PRO A 35 -3.651 13.674 2.770 1.00 0.00 C ATOM 493 CG PRO A 35 -2.359 14.107 2.168 1.00 0.00 C ATOM 494 CD PRO A 35 -1.301 13.236 2.786 1.00 0.00 C ATOM 0 HA PRO A 35 -4.013 11.805 3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.487 13.877 2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.852 14.205 3.701 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.375 13.991 1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.166 15.160 2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.488 13.035 2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.858 13.705 3.665 1.00 0.00 H new ATOM 502 N LYS A 36 -3.270 11.241 0.783 1.00 0.00 N ATOM 503 CA LYS A 36 -3.699 10.503 -0.400 1.00 0.00 C ATOM 504 C LYS A 36 -4.056 9.064 -0.043 1.00 0.00 C ATOM 505 O LYS A 36 -4.900 8.444 -0.693 1.00 0.00 O ATOM 506 CB LYS A 36 -2.597 10.517 -1.463 1.00 0.00 C ATOM 507 CG LYS A 36 -2.684 11.698 -2.413 1.00 0.00 C ATOM 508 CD LYS A 36 -1.911 12.895 -1.887 1.00 0.00 C ATOM 509 CE LYS A 36 -1.909 14.041 -2.888 1.00 0.00 C ATOM 510 NZ LYS A 36 -1.122 15.206 -2.395 1.00 0.00 N ATOM 0 H LYS A 36 -2.330 11.631 0.718 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.588 10.991 -0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.626 10.531 -0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.648 9.593 -2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.292 11.411 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.729 11.973 -2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.353 13.231 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.885 12.599 -1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.493 13.696 -3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.935 14.353 -3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.145 15.966 -3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.534 15.552 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.137 14.915 -2.231 1.00 0.00 H new ATOM 524 N ILE A 37 -3.412 8.537 0.993 1.00 0.00 N ATOM 525 CA ILE A 37 -3.665 7.173 1.437 1.00 0.00 C ATOM 526 C ILE A 37 -5.143 6.961 1.747 1.00 0.00 C ATOM 527 O ILE A 37 -5.648 5.840 1.679 1.00 0.00 O ATOM 528 CB ILE A 37 -2.834 6.823 2.686 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.365 6.626 2.310 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.387 5.576 3.358 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.479 6.287 3.489 1.00 0.00 C ATOM 0 H ILE A 37 -2.710 9.035 1.541 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.370 6.516 0.619 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.900 7.651 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.292 5.829 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.994 7.535 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.789 5.342 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.420 5.752 3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.349 4.739 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.549 6.161 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.522 7.094 4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.824 5.361 3.949 1.00 0.00 H new ATOM 543 N SER A 38 -5.832 8.045 2.086 1.00 0.00 N ATOM 544 CA SER A 38 -7.253 7.978 2.410 1.00 0.00 C ATOM 545 C SER A 38 -8.035 7.311 1.282 1.00 0.00 C ATOM 546 O SER A 38 -9.004 6.590 1.524 1.00 0.00 O ATOM 547 CB SER A 38 -7.805 9.381 2.668 1.00 0.00 C ATOM 548 OG SER A 38 -7.902 10.122 1.463 1.00 0.00 O ATOM 0 H SER A 38 -5.430 8.981 2.144 1.00 0.00 H new ATOM 0 HA SER A 38 -7.368 7.379 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.788 9.308 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.158 9.906 3.370 1.00 0.00 H new ATOM 0 HG SER A 38 -7.044 10.559 1.278 1.00 0.00 H new ATOM 554 N THR A 39 -7.608 7.557 0.047 1.00 0.00 N ATOM 555 CA THR A 39 -8.266 6.982 -1.119 1.00 0.00 C ATOM 556 C THR A 39 -7.721 5.593 -1.430 1.00 0.00 C ATOM 557 O THR A 39 -8.253 4.884 -2.284 1.00 0.00 O ATOM 558 CB THR A 39 -8.095 7.878 -2.360 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.722 8.257 -2.505 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.962 9.124 -2.250 1.00 0.00 C ATOM 0 H THR A 39 -6.808 8.151 -0.171 1.00 0.00 H new ATOM 0 HA THR A 39 -9.326 6.907 -0.878 1.00 0.00 H new ATOM 0 HB THR A 39 -8.409 7.312 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.200 7.884 -1.764 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.825 9.742 -3.137 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.009 8.833 -2.169 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.673 9.691 -1.365 1.00 0.00 H new ATOM 568 N SER A 40 -6.658 5.209 -0.731 1.00 0.00 N ATOM 569 CA SER A 40 -6.038 3.905 -0.936 1.00 0.00 C ATOM 570 C SER A 40 -5.401 3.818 -2.319 1.00 0.00 C ATOM 571 O SER A 40 -5.264 2.732 -2.884 1.00 0.00 O ATOM 572 CB SER A 40 -7.075 2.793 -0.768 1.00 0.00 C ATOM 573 OG SER A 40 -7.692 2.859 0.507 1.00 0.00 O ATOM 0 H SER A 40 -6.208 5.782 -0.018 1.00 0.00 H new ATOM 0 HA SER A 40 -5.256 3.779 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.833 2.877 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.595 1.822 -0.894 1.00 0.00 H new ATOM 0 HG SER A 40 -8.608 2.516 0.445 1.00 0.00 H new ATOM 579 N LEU A 41 -5.013 4.968 -2.858 1.00 0.00 N ATOM 580 CA LEU A 41 -4.389 5.023 -4.176 1.00 0.00 C ATOM 581 C LEU A 41 -3.003 4.387 -4.150 1.00 0.00 C ATOM 582 O LEU A 41 -2.688 3.494 -4.937 1.00 0.00 O ATOM 583 CB LEU A 41 -4.287 6.473 -4.654 1.00 0.00 C ATOM 584 CG LEU A 41 -5.526 7.038 -5.350 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.302 8.490 -5.741 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.879 6.202 -6.572 1.00 0.00 C ATOM 0 H LEU A 41 -5.119 5.875 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.014 4.461 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.059 7.103 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.443 6.550 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.363 6.996 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.194 8.876 -6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.098 9.080 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.453 8.557 -6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.763 6.619 -7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.044 6.212 -7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.083 5.176 -6.265 1.00 0.00 H new ATOM 598 N PRO A 42 -2.155 4.853 -3.221 1.00 0.00 N ATOM 599 CA PRO A 42 -0.789 4.341 -3.068 1.00 0.00 C ATOM 600 C PRO A 42 -0.762 2.919 -2.519 1.00 0.00 C ATOM 601 O PRO A 42 0.151 2.146 -2.815 1.00 0.00 O ATOM 602 CB PRO A 42 -0.157 5.312 -2.068 1.00 0.00 C ATOM 603 CG PRO A 42 -1.305 5.858 -1.291 1.00 0.00 C ATOM 604 CD PRO A 42 -2.463 5.915 -2.249 1.00 0.00 C ATOM 0 HA PRO A 42 -0.264 4.288 -4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.554 4.803 -1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.389 6.106 -2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.536 5.222 -0.437 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.075 6.848 -0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.412 5.734 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.539 6.890 -2.730 1.00 0.00 H new ATOM 612 N VAL A 43 -1.767 2.577 -1.720 1.00 0.00 N ATOM 613 CA VAL A 43 -1.859 1.248 -1.130 1.00 0.00 C ATOM 614 C VAL A 43 -2.380 0.234 -2.143 1.00 0.00 C ATOM 615 O VAL A 43 -1.950 -0.921 -2.160 1.00 0.00 O ATOM 616 CB VAL A 43 -2.778 1.242 0.105 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.608 -0.049 0.892 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.497 2.452 0.982 1.00 0.00 C ATOM 0 H VAL A 43 -2.531 3.204 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.851 0.968 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.813 1.299 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.266 -0.035 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.863 -0.898 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.573 -0.141 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.155 2.432 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.459 2.428 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.675 3.364 0.412 1.00 0.00 H new ATOM 628 N LEU A 44 -3.310 0.670 -2.986 1.00 0.00 N ATOM 629 CA LEU A 44 -3.891 -0.198 -4.003 1.00 0.00 C ATOM 630 C LEU A 44 -2.946 -0.353 -5.191 1.00 0.00 C ATOM 631 O LEU A 44 -2.660 -1.468 -5.628 1.00 0.00 O ATOM 632 CB LEU A 44 -5.234 0.363 -4.475 1.00 0.00 C ATOM 633 CG LEU A 44 -6.395 0.238 -3.488 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.494 1.233 -3.830 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.942 -1.182 -3.485 1.00 0.00 C ATOM 0 H LEU A 44 -3.678 1.621 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.051 -1.180 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.100 1.417 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.512 -0.143 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.024 0.465 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.312 1.130 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.095 2.246 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.863 1.036 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.768 -1.252 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.298 -1.437 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.153 -1.875 -3.193 1.00 0.00 H new ATOM 647 N ASP A 45 -2.463 0.772 -5.707 1.00 0.00 N ATOM 648 CA ASP A 45 -1.548 0.761 -6.842 1.00 0.00 C ATOM 649 C ASP A 45 -0.252 0.039 -6.488 1.00 0.00 C ATOM 650 O ASP A 45 0.355 -0.619 -7.334 1.00 0.00 O ATOM 651 CB ASP A 45 -1.243 2.191 -7.292 1.00 0.00 C ATOM 652 CG ASP A 45 -2.439 2.864 -7.934 1.00 0.00 C ATOM 653 OD1 ASP A 45 -3.556 2.732 -7.392 1.00 0.00 O ATOM 654 OD2 ASP A 45 -2.260 3.522 -8.981 1.00 0.00 O ATOM 0 H ASP A 45 -2.690 1.703 -5.357 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.029 0.225 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.918 2.777 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.414 2.177 -8.000 1.00 0.00 H new ATOM 659 N LEU A 46 0.168 0.166 -5.235 1.00 0.00 N ATOM 660 CA LEU A 46 1.393 -0.474 -4.769 1.00 0.00 C ATOM 661 C LEU A 46 1.315 -1.988 -4.940 1.00 0.00 C ATOM 662 O LEU A 46 2.265 -2.619 -5.404 1.00 0.00 O ATOM 663 CB LEU A 46 1.646 -0.128 -3.301 1.00 0.00 C ATOM 664 CG LEU A 46 2.692 -0.980 -2.581 1.00 0.00 C ATOM 665 CD1 LEU A 46 4.011 -0.957 -3.337 1.00 0.00 C ATOM 666 CD2 LEU A 46 2.885 -0.493 -1.152 1.00 0.00 C ATOM 0 H LEU A 46 -0.322 0.707 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 46 2.221 -0.101 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.954 0.916 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.703 -0.213 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 46 2.334 -2.009 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.743 -1.569 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.862 -1.354 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.375 0.068 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.633 -1.111 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.220 0.544 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.940 -0.563 -0.613 1.00 0.00 H new ATOM 678 N ILE A 47 0.178 -2.563 -4.564 1.00 0.00 N ATOM 679 CA ILE A 47 -0.024 -4.003 -4.680 1.00 0.00 C ATOM 680 C ILE A 47 0.042 -4.451 -6.136 1.00 0.00 C ATOM 681 O ILE A 47 0.706 -5.434 -6.464 1.00 0.00 O ATOM 682 CB ILE A 47 -1.378 -4.430 -4.083 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.455 -4.035 -2.606 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.578 -5.929 -4.246 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.871 -3.957 -2.077 1.00 0.00 C ATOM 0 H ILE A 47 -0.617 -2.055 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 47 0.778 -4.482 -4.119 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.175 -3.916 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.894 -4.758 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.971 -3.068 -2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.539 -6.216 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.560 -6.185 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.779 -6.461 -3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.851 -3.672 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.431 -3.213 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.352 -4.930 -2.181 1.00 0.00 H new ATOM 697 N ASP A 48 -0.651 -3.723 -7.006 1.00 0.00 N ATOM 698 CA ASP A 48 -0.670 -4.045 -8.427 1.00 0.00 C ATOM 699 C ASP A 48 0.744 -4.054 -9.001 1.00 0.00 C ATOM 700 O ASP A 48 1.136 -4.991 -9.696 1.00 0.00 O ATOM 701 CB ASP A 48 -1.535 -3.038 -9.188 1.00 0.00 C ATOM 702 CG ASP A 48 -1.904 -3.524 -10.576 1.00 0.00 C ATOM 703 OD1 ASP A 48 -2.490 -4.622 -10.684 1.00 0.00 O ATOM 704 OD2 ASP A 48 -1.607 -2.806 -11.553 1.00 0.00 O ATOM 0 H ASP A 48 -1.206 -2.906 -6.751 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.097 -5.041 -8.543 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.445 -2.843 -8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.000 -2.091 -9.268 1.00 0.00 H new ATOM 709 N ALA A 49 1.504 -3.005 -8.706 1.00 0.00 N ATOM 710 CA ALA A 49 2.874 -2.894 -9.191 1.00 0.00 C ATOM 711 C ALA A 49 3.652 -4.181 -8.941 1.00 0.00 C ATOM 712 O ALA A 49 4.414 -4.632 -9.796 1.00 0.00 O ATOM 713 CB ALA A 49 3.574 -1.715 -8.529 1.00 0.00 C ATOM 0 H ALA A 49 1.194 -2.220 -8.133 1.00 0.00 H new ATOM 0 HA ALA A 49 2.839 -2.725 -10.267 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.596 -1.644 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.038 -0.795 -8.763 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.590 -1.861 -7.449 1.00 0.00 H new ATOM 719 N ILE A 50 3.454 -4.767 -7.765 1.00 0.00 N ATOM 720 CA ILE A 50 4.137 -6.003 -7.404 1.00 0.00 C ATOM 721 C ILE A 50 3.581 -7.188 -8.188 1.00 0.00 C ATOM 722 O ILE A 50 4.325 -7.909 -8.852 1.00 0.00 O ATOM 723 CB ILE A 50 4.012 -6.296 -5.897 1.00 0.00 C ATOM 724 CG1 ILE A 50 4.355 -5.047 -5.083 1.00 0.00 C ATOM 725 CG2 ILE A 50 4.918 -7.454 -5.506 1.00 0.00 C ATOM 726 CD1 ILE A 50 3.823 -5.083 -3.668 1.00 0.00 C ATOM 0 H ILE A 50 2.827 -4.406 -7.046 1.00 0.00 H new ATOM 0 HA ILE A 50 5.189 -5.866 -7.654 1.00 0.00 H new ATOM 0 HB ILE A 50 2.981 -6.577 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.438 -4.929 -5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.953 -4.170 -5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.819 -7.649 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.632 -8.345 -6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.953 -7.199 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.104 -4.166 -3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.737 -5.169 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.244 -5.940 -3.143 1.00 0.00 H new ATOM 738 N GLN A 51 2.269 -7.380 -8.108 1.00 0.00 N ATOM 739 CA GLN A 51 1.613 -8.476 -8.811 1.00 0.00 C ATOM 740 C GLN A 51 0.461 -7.962 -9.666 1.00 0.00 C ATOM 741 O GLN A 51 -0.627 -7.662 -9.172 1.00 0.00 O ATOM 742 CB GLN A 51 1.099 -9.515 -7.813 1.00 0.00 C ATOM 743 CG GLN A 51 0.536 -10.764 -8.472 1.00 0.00 C ATOM 744 CD GLN A 51 1.620 -11.717 -8.937 1.00 0.00 C ATOM 745 OE1 GLN A 51 2.625 -11.299 -9.512 1.00 0.00 O ATOM 746 NE2 GLN A 51 1.421 -13.007 -8.689 1.00 0.00 N ATOM 0 H GLN A 51 1.639 -6.791 -7.563 1.00 0.00 H new ATOM 0 HA GLN A 51 2.347 -8.944 -9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.913 -9.801 -7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.325 -9.061 -7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.118 -11.279 -7.768 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.079 -10.475 -9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.573 -13.309 -8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.116 -13.695 -8.978 1.00 0.00 H new ATOM 755 N PRO A 52 0.701 -7.855 -10.982 1.00 0.00 N ATOM 756 CA PRO A 52 -0.306 -7.377 -11.934 1.00 0.00 C ATOM 757 C PRO A 52 -1.445 -8.374 -12.123 1.00 0.00 C ATOM 758 O PRO A 52 -1.219 -9.579 -12.222 1.00 0.00 O ATOM 759 CB PRO A 52 0.484 -7.215 -13.235 1.00 0.00 C ATOM 760 CG PRO A 52 1.627 -8.163 -13.103 1.00 0.00 C ATOM 761 CD PRO A 52 1.973 -8.194 -11.641 1.00 0.00 C ATOM 0 HA PRO A 52 -0.785 -6.459 -11.593 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.130 -7.453 -14.104 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.832 -6.190 -13.362 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.354 -9.156 -13.460 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.478 -7.833 -13.698 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.335 -9.175 -11.335 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.756 -7.475 -11.398 1.00 0.00 H new ATOM 769 N GLY A 53 -2.671 -7.861 -12.174 1.00 0.00 N ATOM 770 CA GLY A 53 -3.827 -8.720 -12.351 1.00 0.00 C ATOM 771 C GLY A 53 -4.772 -8.673 -11.168 1.00 0.00 C ATOM 772 O GLY A 53 -5.987 -8.780 -11.330 1.00 0.00 O ATOM 0 H GLY A 53 -2.884 -6.866 -12.096 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.363 -8.421 -13.252 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.493 -9.746 -12.504 1.00 0.00 H new ATOM 776 N SER A 54 -4.213 -8.513 -9.972 1.00 0.00 N ATOM 777 CA SER A 54 -5.015 -8.457 -8.754 1.00 0.00 C ATOM 778 C SER A 54 -5.895 -7.211 -8.741 1.00 0.00 C ATOM 779 O SER A 54 -7.119 -7.304 -8.642 1.00 0.00 O ATOM 780 CB SER A 54 -4.109 -8.468 -7.522 1.00 0.00 C ATOM 781 OG SER A 54 -3.414 -9.698 -7.412 1.00 0.00 O ATOM 0 H SER A 54 -3.209 -8.420 -9.820 1.00 0.00 H new ATOM 0 HA SER A 54 -5.659 -9.336 -8.731 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.395 -7.647 -7.585 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.707 -8.303 -6.626 1.00 0.00 H new ATOM 0 HG SER A 54 -2.550 -9.548 -6.974 1.00 0.00 H new ATOM 787 N ILE A 55 -5.264 -6.046 -8.842 1.00 0.00 N ATOM 788 CA ILE A 55 -5.989 -4.782 -8.842 1.00 0.00 C ATOM 789 C ILE A 55 -6.732 -4.575 -10.158 1.00 0.00 C ATOM 790 O ILE A 55 -6.220 -4.897 -11.229 1.00 0.00 O ATOM 791 CB ILE A 55 -5.042 -3.590 -8.608 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.227 -3.801 -7.330 1.00 0.00 C ATOM 793 CG2 ILE A 55 -5.832 -2.293 -8.530 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.059 -4.261 -6.153 1.00 0.00 C ATOM 0 H ILE A 55 -4.252 -5.952 -8.925 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.708 -4.830 -8.024 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.352 -3.523 -9.450 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.447 -4.537 -7.523 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.727 -2.868 -7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.149 -1.460 -8.364 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.372 -2.139 -9.464 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.543 -2.349 -7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.417 -4.390 -5.282 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.823 -3.515 -5.933 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.538 -5.210 -6.395 1.00 0.00 H new ATOM 806 N ASN A 56 -7.942 -4.034 -10.068 1.00 0.00 N ATOM 807 CA ASN A 56 -8.757 -3.782 -11.251 1.00 0.00 C ATOM 808 C ASN A 56 -9.385 -2.392 -11.194 1.00 0.00 C ATOM 809 O ASN A 56 -10.545 -2.240 -10.810 1.00 0.00 O ATOM 810 CB ASN A 56 -9.851 -4.844 -11.378 1.00 0.00 C ATOM 811 CG ASN A 56 -10.235 -5.109 -12.820 1.00 0.00 C ATOM 812 OD1 ASN A 56 -9.823 -6.107 -13.411 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.029 -4.213 -13.396 1.00 0.00 N ATOM 0 H ASN A 56 -8.380 -3.761 -9.188 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.108 -3.832 -12.126 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.508 -5.772 -10.920 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.732 -4.522 -10.824 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.320 -4.338 -14.365 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.347 -3.400 -12.869 1.00 0.00 H new ATOM 820 N TYR A 57 -8.611 -1.384 -11.580 1.00 0.00 N ATOM 821 CA TYR A 57 -9.090 -0.006 -11.571 1.00 0.00 C ATOM 822 C TYR A 57 -10.489 0.088 -12.173 1.00 0.00 C ATOM 823 O TYR A 57 -11.329 0.854 -11.703 1.00 0.00 O ATOM 824 CB TYR A 57 -8.128 0.895 -12.344 1.00 0.00 C ATOM 825 CG TYR A 57 -6.733 0.934 -11.761 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.455 1.677 -10.621 1.00 0.00 C ATOM 827 CD2 TYR A 57 -5.693 0.224 -12.350 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.183 1.715 -10.085 1.00 0.00 C ATOM 829 CE2 TYR A 57 -4.418 0.255 -11.821 1.00 0.00 C ATOM 830 CZ TYR A 57 -4.167 1.002 -10.689 1.00 0.00 C ATOM 831 OH TYR A 57 -2.898 1.037 -10.157 1.00 0.00 O ATOM 0 H TYR A 57 -7.650 -1.495 -11.903 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.137 0.329 -10.535 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.072 0.551 -13.377 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.531 1.907 -12.367 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.248 2.235 -10.145 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.886 -0.362 -13.237 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.984 2.299 -9.199 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.621 -0.303 -12.291 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.300 0.481 -10.700 1.00 0.00 H new ATOM 841 N ASP A 58 -10.730 -0.698 -13.217 1.00 0.00 N ATOM 842 CA ASP A 58 -12.026 -0.706 -13.885 1.00 0.00 C ATOM 843 C ASP A 58 -13.162 -0.738 -12.867 1.00 0.00 C ATOM 844 O ASP A 58 -14.207 -0.120 -13.068 1.00 0.00 O ATOM 845 CB ASP A 58 -12.132 -1.909 -14.824 1.00 0.00 C ATOM 846 CG ASP A 58 -13.037 -1.639 -16.011 1.00 0.00 C ATOM 847 OD1 ASP A 58 -13.892 -0.733 -15.911 1.00 0.00 O ATOM 848 OD2 ASP A 58 -12.889 -2.331 -17.038 1.00 0.00 O ATOM 0 H ASP A 58 -10.045 -1.338 -13.619 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.112 0.210 -14.469 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.138 -2.175 -15.182 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.511 -2.767 -14.269 1.00 0.00 H new ATOM 853 N LEU A 59 -12.950 -1.463 -11.774 1.00 0.00 N ATOM 854 CA LEU A 59 -13.955 -1.577 -10.724 1.00 0.00 C ATOM 855 C LEU A 59 -13.761 -0.498 -9.664 1.00 0.00 C ATOM 856 O LEU A 59 -14.725 -0.014 -9.071 1.00 0.00 O ATOM 857 CB LEU A 59 -13.892 -2.962 -10.077 1.00 0.00 C ATOM 858 CG LEU A 59 -13.858 -4.150 -11.038 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.748 -5.457 -10.268 1.00 0.00 C ATOM 860 CD2 LEU A 59 -15.095 -4.155 -11.924 1.00 0.00 C ATOM 0 H LEU A 59 -12.090 -1.981 -11.592 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.936 -1.440 -11.179 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.005 -3.006 -9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.756 -3.075 -9.422 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.979 -4.052 -11.675 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.725 -6.291 -10.969 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.832 -5.455 -9.676 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.607 -5.563 -9.606 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.054 -5.008 -12.602 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.987 -4.228 -11.302 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.131 -3.232 -12.503 1.00 0.00 H new ATOM 872 N LEU A 60 -12.507 -0.125 -9.431 1.00 0.00 N ATOM 873 CA LEU A 60 -12.185 0.899 -8.443 1.00 0.00 C ATOM 874 C LEU A 60 -12.914 2.202 -8.753 1.00 0.00 C ATOM 875 O LEU A 60 -13.565 2.332 -9.789 1.00 0.00 O ATOM 876 CB LEU A 60 -10.675 1.143 -8.406 1.00 0.00 C ATOM 877 CG LEU A 60 -9.816 -0.038 -7.954 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.338 0.306 -8.057 1.00 0.00 C ATOM 879 CD2 LEU A 60 -10.173 -0.445 -6.531 1.00 0.00 C ATOM 0 H LEU A 60 -11.697 -0.516 -9.912 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.514 0.543 -7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.351 1.442 -9.403 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.479 1.984 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.018 -0.882 -8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.742 -0.547 -7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.092 0.547 -9.091 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.119 1.165 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.551 -1.287 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.001 0.395 -5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.223 -0.735 -6.488 1.00 0.00 H new ATOM 891 N LYS A 61 -12.799 3.168 -7.847 1.00 0.00 N ATOM 892 CA LYS A 61 -13.444 4.464 -8.023 1.00 0.00 C ATOM 893 C LYS A 61 -12.412 5.552 -8.305 1.00 0.00 C ATOM 894 O LYS A 61 -12.390 6.137 -9.387 1.00 0.00 O ATOM 895 CB LYS A 61 -14.256 4.827 -6.778 1.00 0.00 C ATOM 896 CG LYS A 61 -15.648 4.220 -6.762 1.00 0.00 C ATOM 897 CD LYS A 61 -15.600 2.719 -6.527 1.00 0.00 C ATOM 898 CE LYS A 61 -16.846 2.031 -7.062 1.00 0.00 C ATOM 899 NZ LYS A 61 -18.024 2.252 -6.178 1.00 0.00 N ATOM 0 H LYS A 61 -12.265 3.077 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.115 4.394 -8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.714 4.496 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.341 5.912 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.243 4.693 -5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.146 4.425 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.717 2.302 -7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.503 2.520 -5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.067 2.405 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.658 0.961 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.539 1.357 -6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.703 2.597 -5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.655 2.957 -6.610 1.00 0.00 H new ATOM 913 N THR A 62 -11.555 5.816 -7.323 1.00 0.00 N ATOM 914 CA THR A 62 -10.520 6.833 -7.464 1.00 0.00 C ATOM 915 C THR A 62 -11.082 8.106 -8.088 1.00 0.00 C ATOM 916 O THR A 62 -10.360 8.856 -8.744 1.00 0.00 O ATOM 917 CB THR A 62 -9.349 6.325 -8.326 1.00 0.00 C ATOM 918 OG1 THR A 62 -8.271 7.267 -8.289 1.00 0.00 O ATOM 919 CG2 THR A 62 -9.790 6.109 -9.765 1.00 0.00 C ATOM 0 H THR A 62 -11.558 5.339 -6.421 1.00 0.00 H new ATOM 0 HA THR A 62 -10.154 7.055 -6.461 1.00 0.00 H new ATOM 0 HB THR A 62 -9.013 5.371 -7.919 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.616 8.166 -8.470 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.946 5.750 -10.354 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.592 5.371 -9.793 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.149 7.051 -10.181 1.00 0.00 H new ATOM 927 N GLU A 63 -12.373 8.342 -7.878 1.00 0.00 N ATOM 928 CA GLU A 63 -13.030 9.525 -8.422 1.00 0.00 C ATOM 929 C GLU A 63 -13.911 10.190 -7.369 1.00 0.00 C ATOM 930 O GLU A 63 -14.938 9.643 -6.967 1.00 0.00 O ATOM 931 CB GLU A 63 -13.870 9.153 -9.645 1.00 0.00 C ATOM 932 CG GLU A 63 -14.933 8.105 -9.357 1.00 0.00 C ATOM 933 CD GLU A 63 -16.257 8.717 -8.940 1.00 0.00 C ATOM 934 OE1 GLU A 63 -16.786 9.557 -9.696 1.00 0.00 O ATOM 935 OE2 GLU A 63 -16.762 8.352 -7.858 1.00 0.00 O ATOM 0 H GLU A 63 -12.984 7.731 -7.336 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.257 10.232 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.352 10.051 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.210 8.783 -10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.084 7.492 -10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.579 7.441 -8.568 1.00 0.00 H new ATOM 942 N ASN A 64 -13.502 11.375 -6.924 1.00 0.00 N ATOM 943 CA ASN A 64 -14.253 12.114 -5.917 1.00 0.00 C ATOM 944 C ASN A 64 -14.799 11.173 -4.846 1.00 0.00 C ATOM 945 O ASN A 64 -15.923 11.340 -4.373 1.00 0.00 O ATOM 946 CB ASN A 64 -15.404 12.882 -6.571 1.00 0.00 C ATOM 947 CG ASN A 64 -16.243 12.004 -7.478 1.00 0.00 C ATOM 948 OD1 ASN A 64 -17.288 11.493 -7.074 1.00 0.00 O ATOM 949 ND2 ASN A 64 -15.788 11.825 -8.713 1.00 0.00 N ATOM 0 H ASN A 64 -12.655 11.843 -7.246 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.575 12.823 -5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.039 13.310 -5.795 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.000 13.714 -7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -16.310 11.244 -9.370 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.917 12.268 -9.005 1.00 0.00 H new ATOM 956 N LEU A 65 -13.994 10.187 -4.468 1.00 0.00 N ATOM 957 CA LEU A 65 -14.394 9.219 -3.451 1.00 0.00 C ATOM 958 C LEU A 65 -15.022 9.920 -2.251 1.00 0.00 C ATOM 959 O LEU A 65 -14.926 11.138 -2.111 1.00 0.00 O ATOM 960 CB LEU A 65 -13.188 8.393 -3.003 1.00 0.00 C ATOM 961 CG LEU A 65 -12.700 7.328 -3.985 1.00 0.00 C ATOM 962 CD1 LEU A 65 -11.227 7.028 -3.758 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.531 6.059 -3.852 1.00 0.00 C ATOM 0 H LEU A 65 -13.060 10.036 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 65 -15.138 8.553 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.362 9.075 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.438 7.903 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.820 7.713 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.897 6.268 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.644 7.937 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.082 6.664 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.170 5.312 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.443 5.671 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.576 6.284 -4.065 1.00 0.00 H new ATOM 975 N ASN A 66 -15.662 9.140 -1.385 1.00 0.00 N ATOM 976 CA ASN A 66 -16.304 9.685 -0.195 1.00 0.00 C ATOM 977 C ASN A 66 -16.307 8.663 0.938 1.00 0.00 C ATOM 978 O ASN A 66 -16.059 7.477 0.719 1.00 0.00 O ATOM 979 CB ASN A 66 -17.738 10.114 -0.514 1.00 0.00 C ATOM 980 CG ASN A 66 -18.358 9.281 -1.619 1.00 0.00 C ATOM 981 OD1 ASN A 66 -17.834 9.216 -2.731 1.00 0.00 O ATOM 982 ND2 ASN A 66 -19.481 8.641 -1.316 1.00 0.00 N ATOM 0 H ASN A 66 -15.749 8.129 -1.486 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.735 10.557 0.127 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.348 10.031 0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.744 11.164 -0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.946 8.066 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.879 8.724 -0.381 1.00 0.00 H new ATOM 989 N ASP A 67 -16.592 9.130 2.148 1.00 0.00 N ATOM 990 CA ASP A 67 -16.630 8.257 3.316 1.00 0.00 C ATOM 991 C ASP A 67 -17.171 6.880 2.947 1.00 0.00 C ATOM 992 O ASP A 67 -16.767 5.868 3.521 1.00 0.00 O ATOM 993 CB ASP A 67 -17.490 8.879 4.417 1.00 0.00 C ATOM 994 CG ASP A 67 -16.867 10.131 5.001 1.00 0.00 C ATOM 995 OD1 ASP A 67 -15.883 10.006 5.758 1.00 0.00 O ATOM 996 OD2 ASP A 67 -17.364 11.238 4.700 1.00 0.00 O ATOM 0 H ASP A 67 -16.800 10.109 2.346 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.611 8.140 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -18.473 9.121 4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -17.642 8.148 5.211 1.00 0.00 H new ATOM 1001 N ASP A 68 -18.088 6.848 1.986 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.685 5.595 1.540 1.00 0.00 C ATOM 1003 C ASP A 68 -17.724 4.824 0.641 1.00 0.00 C ATOM 1004 O ASP A 68 -17.198 3.781 1.030 1.00 0.00 O ATOM 1005 CB ASP A 68 -19.993 5.865 0.794 1.00 0.00 C ATOM 1006 CG ASP A 68 -21.192 5.900 1.722 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -21.329 6.885 2.478 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -21.993 4.943 1.691 1.00 0.00 O ATOM 0 H ASP A 68 -18.434 7.676 1.501 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.896 4.989 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.918 6.816 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.144 5.093 0.039 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.500 5.344 -0.561 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.602 4.703 -1.516 1.00 0.00 C ATOM 1015 C GLU A 69 -15.238 4.437 -0.886 1.00 0.00 C ATOM 1016 O GLU A 69 -14.736 3.314 -0.914 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.440 5.575 -2.762 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.758 5.936 -3.428 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.224 4.879 -4.411 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -18.421 3.722 -3.986 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.392 5.210 -5.603 1.00 0.00 O ATOM 0 H GLU A 69 -17.927 6.207 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.042 3.748 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.918 6.492 -2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.810 5.052 -3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.521 6.076 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.649 6.888 -3.948 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.642 5.481 -0.318 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.337 5.363 0.320 1.00 0.00 C ATOM 1030 C LYS A 70 -13.203 4.027 1.044 1.00 0.00 C ATOM 1031 O LYS A 70 -12.182 3.348 0.930 1.00 0.00 O ATOM 1032 CB LYS A 70 -13.123 6.514 1.307 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.883 7.854 0.636 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.129 8.807 1.548 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.636 10.031 0.791 1.00 0.00 C ATOM 1036 NZ LYS A 70 -10.979 11.014 1.695 1.00 0.00 N ATOM 0 H LYS A 70 -15.043 6.418 -0.287 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.575 5.412 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.996 6.593 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.272 6.280 1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.317 7.705 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.838 8.297 0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.779 9.121 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.281 8.289 1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.932 9.721 0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.476 10.508 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.155 11.978 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.368 10.917 2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.955 10.835 1.717 1.00 0.00 H new ATOM 1050 N LEU A 71 -14.240 3.655 1.786 1.00 0.00 N ATOM 1051 CA LEU A 71 -14.239 2.398 2.527 1.00 0.00 C ATOM 1052 C LEU A 71 -14.007 1.215 1.592 1.00 0.00 C ATOM 1053 O LEU A 71 -13.078 0.432 1.786 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.563 2.222 3.272 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.843 0.822 3.820 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.864 0.478 4.930 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -17.277 0.722 4.319 1.00 0.00 C ATOM 0 H LEU A 71 -15.092 4.206 1.891 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.424 2.431 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.586 2.927 4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.375 2.496 2.599 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.710 0.103 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.079 -0.522 5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.847 0.508 4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.963 1.201 5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.459 -0.281 4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -17.438 1.451 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.963 0.924 3.497 1.00 0.00 H new ATOM 1069 N ASN A 72 -14.855 1.094 0.578 1.00 0.00 N ATOM 1070 CA ASN A 72 -14.741 0.007 -0.389 1.00 0.00 C ATOM 1071 C ASN A 72 -13.305 -0.130 -0.885 1.00 0.00 C ATOM 1072 O ASN A 72 -12.789 -1.238 -1.023 1.00 0.00 O ATOM 1073 CB ASN A 72 -15.681 0.249 -1.572 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.141 0.251 -1.160 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -17.835 -0.758 -1.287 1.00 0.00 O ATOM 1076 ND2 ASN A 72 -17.613 1.389 -0.663 1.00 0.00 N ATOM 0 H ASN A 72 -15.629 1.735 0.403 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.025 -0.921 0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.436 1.204 -2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.520 -0.523 -2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.587 1.451 -0.368 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.001 2.200 -0.576 1.00 0.00 H new ATOM 1083 N ASN A 73 -12.665 1.004 -1.152 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.290 1.010 -1.633 1.00 0.00 C ATOM 1085 C ASN A 73 -10.338 0.467 -0.571 1.00 0.00 C ATOM 1086 O ASN A 73 -9.410 -0.281 -0.878 1.00 0.00 O ATOM 1087 CB ASN A 73 -10.872 2.427 -2.030 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.653 2.949 -3.220 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.817 2.598 -3.415 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.016 3.794 -4.022 1.00 0.00 N ATOM 0 H ASN A 73 -13.078 1.930 -1.043 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.236 0.363 -2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.017 3.096 -1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.808 2.436 -2.265 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.492 4.180 -4.838 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.051 4.058 -3.822 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.579 0.846 0.680 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.747 0.394 1.788 1.00 0.00 C ATOM 1099 C ALA A 74 -9.852 -1.116 1.975 1.00 0.00 C ATOM 1100 O ALA A 74 -8.855 -1.792 2.228 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.139 1.114 3.070 1.00 0.00 C ATOM 0 H ALA A 74 -11.343 1.465 0.951 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.710 0.633 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.510 0.767 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.005 2.188 2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.183 0.904 3.301 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.067 -1.639 1.847 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.304 -3.070 2.001 1.00 0.00 C ATOM 1109 C LYS A 75 -10.560 -3.862 0.930 1.00 0.00 C ATOM 1110 O LYS A 75 -9.962 -4.900 1.216 1.00 0.00 O ATOM 1111 CB LYS A 75 -12.802 -3.371 1.925 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.630 -2.593 2.933 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.057 -3.110 3.000 1.00 0.00 C ATOM 1114 CE LYS A 75 -15.894 -2.592 1.840 1.00 0.00 C ATOM 1115 NZ LYS A 75 -17.313 -3.032 1.940 1.00 0.00 N ATOM 0 H LYS A 75 -11.903 -1.093 1.637 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.929 -3.372 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.159 -3.143 0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.958 -4.438 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.169 -2.666 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.637 -1.537 2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.051 -4.200 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.512 -2.805 3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.852 -1.503 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.470 -2.945 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.850 -2.659 1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.356 -4.071 1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.726 -2.674 2.825 1.00 0.00 H new ATOM 1129 N TYR A 76 -10.601 -3.367 -0.302 1.00 0.00 N ATOM 1130 CA TYR A 76 -9.933 -4.029 -1.415 1.00 0.00 C ATOM 1131 C TYR A 76 -8.430 -4.126 -1.169 1.00 0.00 C ATOM 1132 O TYR A 76 -7.819 -5.169 -1.394 1.00 0.00 O ATOM 1133 CB TYR A 76 -10.198 -3.275 -2.719 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.016 -4.124 -3.957 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -10.729 -5.304 -4.125 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.130 -3.745 -4.958 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -10.566 -6.083 -5.255 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -8.960 -4.517 -6.091 1.00 0.00 C ATOM 1139 CZ TYR A 76 -9.680 -5.685 -6.235 1.00 0.00 C ATOM 1140 OH TYR A 76 -9.513 -6.457 -7.362 1.00 0.00 O ATOM 0 H TYR A 76 -11.091 -2.509 -0.555 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.336 -5.038 -1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.216 -2.885 -2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.528 -2.417 -2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.423 -5.618 -3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.565 -2.831 -4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.129 -6.998 -5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.267 -4.208 -6.860 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.557 -6.555 -7.553 1.00 0.00 H new ATOM 1150 N ALA A 77 -7.842 -3.029 -0.702 1.00 0.00 N ATOM 1151 CA ALA A 77 -6.412 -2.989 -0.421 1.00 0.00 C ATOM 1152 C ALA A 77 -6.012 -4.096 0.549 1.00 0.00 C ATOM 1153 O ALA A 77 -5.293 -5.025 0.182 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.021 -1.629 0.137 1.00 0.00 C ATOM 0 H ALA A 77 -8.334 -2.156 -0.510 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.878 -3.152 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.951 -1.614 0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.262 -0.854 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.570 -1.443 1.060 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.482 -3.989 1.787 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.174 -4.982 2.809 1.00 0.00 C ATOM 1162 C ILE A 78 -6.527 -6.388 2.335 1.00 0.00 C ATOM 1163 O ILE A 78 -5.791 -7.342 2.586 1.00 0.00 O ATOM 1164 CB ILE A 78 -6.925 -4.691 4.121 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.533 -3.316 4.665 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.636 -5.775 5.149 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.465 -2.803 5.740 1.00 0.00 C ATOM 0 H ILE A 78 -7.077 -3.225 2.107 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.101 -4.922 2.993 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.996 -4.688 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.521 -3.368 5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.512 -2.601 3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.174 -5.555 6.071 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.961 -6.740 4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.566 -5.807 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.126 -1.824 6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.474 -2.718 5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.468 -3.497 6.581 1.00 0.00 H new ATOM 1179 N SER A 79 -7.658 -6.507 1.647 1.00 0.00 N ATOM 1180 CA SER A 79 -8.111 -7.797 1.138 1.00 0.00 C ATOM 1181 C SER A 79 -7.052 -8.428 0.239 1.00 0.00 C ATOM 1182 O SER A 79 -6.638 -9.566 0.454 1.00 0.00 O ATOM 1183 CB SER A 79 -9.421 -7.633 0.365 1.00 0.00 C ATOM 1184 OG SER A 79 -9.921 -8.888 -0.062 1.00 0.00 O ATOM 0 H SER A 79 -8.277 -5.726 1.429 1.00 0.00 H new ATOM 0 HA SER A 79 -8.280 -8.457 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.160 -7.139 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.259 -6.989 -0.500 1.00 0.00 H new ATOM 0 HG SER A 79 -10.759 -8.757 -0.552 1.00 0.00 H new ATOM 1190 N MET A 80 -6.619 -7.680 -0.771 1.00 0.00 N ATOM 1191 CA MET A 80 -5.608 -8.164 -1.702 1.00 0.00 C ATOM 1192 C MET A 80 -4.390 -8.697 -0.955 1.00 0.00 C ATOM 1193 O MET A 80 -3.881 -9.774 -1.265 1.00 0.00 O ATOM 1194 CB MET A 80 -5.186 -7.046 -2.658 1.00 0.00 C ATOM 1195 CG MET A 80 -6.018 -6.983 -3.927 1.00 0.00 C ATOM 1196 SD MET A 80 -7.790 -7.054 -3.599 1.00 0.00 S ATOM 1197 CE MET A 80 -8.301 -8.312 -4.768 1.00 0.00 C ATOM 0 H MET A 80 -6.953 -6.736 -0.965 1.00 0.00 H new ATOM 0 HA MET A 80 -6.043 -8.980 -2.279 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.257 -6.090 -2.139 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.139 -7.186 -2.927 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.788 -6.062 -4.462 1.00 0.00 H new ATOM 0 HG3 MET A 80 -5.740 -7.810 -4.581 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.367 -8.508 -4.649 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.107 -7.966 -5.783 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.741 -9.229 -4.584 1.00 0.00 H new ATOM 1207 N ALA A 81 -3.927 -7.937 0.031 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.770 -8.334 0.824 1.00 0.00 C ATOM 1209 C ALA A 81 -2.772 -9.837 1.083 1.00 0.00 C ATOM 1210 O ALA A 81 -1.739 -10.497 0.967 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.744 -7.570 2.139 1.00 0.00 C ATOM 0 H ALA A 81 -4.336 -7.042 0.300 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.871 -8.090 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.875 -7.877 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.687 -6.500 1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.652 -7.785 2.703 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.936 -10.370 1.434 1.00 0.00 N ATOM 1218 CA ARG A 82 -4.071 -11.796 1.711 1.00 0.00 C ATOM 1219 C ARG A 82 -4.113 -12.599 0.415 1.00 0.00 C ATOM 1220 O ARG A 82 -3.451 -13.630 0.289 1.00 0.00 O ATOM 1221 CB ARG A 82 -5.337 -12.060 2.529 1.00 0.00 C ATOM 1222 CG ARG A 82 -5.368 -11.323 3.858 1.00 0.00 C ATOM 1223 CD ARG A 82 -6.391 -11.929 4.806 1.00 0.00 C ATOM 1224 NE ARG A 82 -6.065 -11.663 6.205 1.00 0.00 N ATOM 1225 CZ ARG A 82 -6.619 -12.311 7.225 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -7.520 -13.258 7.002 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -6.270 -12.012 8.470 1.00 0.00 N ATOM 0 H ARG A 82 -4.800 -9.837 1.534 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.202 -12.113 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.207 -11.768 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.423 -13.131 2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.380 -11.356 4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.605 -10.273 3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.378 -11.525 4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.442 -13.006 4.644 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.375 -10.941 6.410 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.789 -13.491 6.046 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.944 -13.754 7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.576 -11.285 8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.695 -12.509 9.252 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.897 -12.123 -0.547 1.00 0.00 N ATOM 1242 CA LYS A 83 -5.026 -12.795 -1.833 1.00 0.00 C ATOM 1243 C LYS A 83 -3.655 -13.107 -2.424 1.00 0.00 C ATOM 1244 O LYS A 83 -3.348 -14.260 -2.733 1.00 0.00 O ATOM 1245 CB LYS A 83 -5.827 -11.927 -2.807 1.00 0.00 C ATOM 1246 CG LYS A 83 -7.330 -12.116 -2.695 1.00 0.00 C ATOM 1247 CD LYS A 83 -7.880 -11.469 -1.435 1.00 0.00 C ATOM 1248 CE LYS A 83 -9.318 -11.890 -1.175 1.00 0.00 C ATOM 1249 NZ LYS A 83 -9.415 -13.322 -0.779 1.00 0.00 N ATOM 0 H LYS A 83 -5.453 -11.273 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.555 -13.734 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.587 -10.879 -2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.515 -12.157 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.818 -11.685 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.565 -13.180 -2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.259 -11.745 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.829 -10.384 -1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.742 -11.266 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.914 -11.720 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.347 -13.502 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.295 -13.923 -1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.671 -13.542 -0.087 1.00 0.00 H new ATOM 1263 N ILE A 84 -2.832 -12.075 -2.577 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.493 -12.240 -3.128 1.00 0.00 C ATOM 1265 C ILE A 84 -0.607 -13.048 -2.186 1.00 0.00 C ATOM 1266 O ILE A 84 0.392 -13.631 -2.604 1.00 0.00 O ATOM 1267 CB ILE A 84 -0.825 -10.880 -3.403 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -0.766 -10.048 -2.120 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -1.577 -10.131 -4.493 1.00 0.00 C ATOM 1270 CD1 ILE A 84 0.129 -8.833 -2.228 1.00 0.00 C ATOM 0 H ILE A 84 -3.070 -11.115 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.604 -12.778 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 84 0.194 -11.055 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.774 -9.725 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.413 -10.678 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.093 -9.172 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.572 -10.721 -5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.606 -9.963 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.122 -8.291 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.146 -9.150 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.236 -8.182 -3.022 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.982 -13.079 -0.911 1.00 0.00 N ATOM 1283 CA GLY A 85 -0.212 -13.820 0.071 1.00 0.00 C ATOM 1284 C GLY A 85 0.486 -12.913 1.066 1.00 0.00 C ATOM 1285 O GLY A 85 1.676 -12.630 0.929 1.00 0.00 O ATOM 0 H GLY A 85 -1.805 -12.604 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.873 -14.502 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.531 -14.432 -0.441 1.00 0.00 H new ATOM 1289 N ALA A 86 -0.257 -12.454 2.067 1.00 0.00 N ATOM 1290 CA ALA A 86 0.297 -11.573 3.088 1.00 0.00 C ATOM 1291 C ALA A 86 -0.685 -11.378 4.237 1.00 0.00 C ATOM 1292 O ALA A 86 -1.801 -10.897 4.038 1.00 0.00 O ATOM 1293 CB ALA A 86 0.674 -10.231 2.480 1.00 0.00 C ATOM 0 H ALA A 86 -1.244 -12.677 2.193 1.00 0.00 H new ATOM 0 HA ALA A 86 1.195 -12.043 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.086 -9.584 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.419 -10.382 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.213 -9.764 2.051 1.00 0.00 H new ATOM 1299 N ARG A 87 -0.265 -11.755 5.440 1.00 0.00 N ATOM 1300 CA ARG A 87 -1.109 -11.624 6.622 1.00 0.00 C ATOM 1301 C ARG A 87 -0.846 -10.299 7.332 1.00 0.00 C ATOM 1302 O ARG A 87 0.172 -10.134 8.004 1.00 0.00 O ATOM 1303 CB ARG A 87 -0.863 -12.788 7.583 1.00 0.00 C ATOM 1304 CG ARG A 87 -1.172 -14.149 6.982 1.00 0.00 C ATOM 1305 CD ARG A 87 -2.624 -14.542 7.207 1.00 0.00 C ATOM 1306 NE ARG A 87 -3.131 -15.398 6.139 1.00 0.00 N ATOM 1307 CZ ARG A 87 -4.175 -16.208 6.279 1.00 0.00 C ATOM 1308 NH1 ARG A 87 -4.818 -16.272 7.436 1.00 0.00 N ATOM 1309 NH2 ARG A 87 -4.577 -16.957 5.260 1.00 0.00 N ATOM 0 H ARG A 87 0.656 -12.154 5.622 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.150 -11.644 6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.179 -12.770 7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.473 -12.647 8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.960 -14.132 5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.518 -14.900 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.715 -15.061 8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.237 -13.643 7.273 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.658 -15.373 5.236 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.512 -15.699 8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.619 -16.895 7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.084 -16.911 4.368 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.379 -17.578 5.369 1.00 0.00 H new ATOM 1323 N VAL A 88 -1.772 -9.357 7.179 1.00 0.00 N ATOM 1324 CA VAL A 88 -1.640 -8.047 7.806 1.00 0.00 C ATOM 1325 C VAL A 88 -2.739 -7.820 8.838 1.00 0.00 C ATOM 1326 O VAL A 88 -3.896 -8.182 8.619 1.00 0.00 O ATOM 1327 CB VAL A 88 -1.691 -6.917 6.761 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -3.030 -6.917 6.039 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -1.432 -5.570 7.420 1.00 0.00 C ATOM 0 H VAL A 88 -2.621 -9.477 6.627 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.670 -8.029 8.302 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.908 -7.092 6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.047 -6.112 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.171 -7.872 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.833 -6.767 6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.472 -4.783 6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.192 -5.384 8.179 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.447 -5.577 7.886 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.370 -7.218 9.964 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.325 -6.943 11.031 1.00 0.00 C ATOM 1341 C TYR A 89 -3.798 -5.494 10.980 1.00 0.00 C ATOM 1342 O TYR A 89 -3.303 -4.641 11.716 1.00 0.00 O ATOM 1343 CB TYR A 89 -2.696 -7.238 12.394 1.00 0.00 C ATOM 1344 CG TYR A 89 -1.819 -8.470 12.402 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -2.373 -9.740 12.513 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -0.438 -8.364 12.301 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -1.575 -10.868 12.521 1.00 0.00 C ATOM 1348 CE2 TYR A 89 0.367 -9.487 12.307 1.00 0.00 C ATOM 1349 CZ TYR A 89 -0.206 -10.736 12.418 1.00 0.00 C ATOM 1350 OH TYR A 89 0.593 -11.857 12.427 1.00 0.00 O ATOM 0 H TYR A 89 -1.417 -6.912 10.161 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.188 -7.593 10.887 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.103 -6.378 12.705 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.489 -7.362 13.132 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.445 -9.847 12.594 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.015 -7.387 12.216 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.021 -11.848 12.607 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.439 -9.387 12.225 1.00 0.00 H new ATOM 0 HH TYR A 89 1.532 -11.590 12.345 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.762 -5.224 10.105 1.00 0.00 N ATOM 1361 CA ALA A 90 -5.306 -3.880 9.959 1.00 0.00 C ATOM 1362 C ALA A 90 -6.786 -3.923 9.598 1.00 0.00 C ATOM 1363 O ALA A 90 -7.395 -4.992 9.556 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.526 -3.107 8.905 1.00 0.00 C ATOM 0 H ALA A 90 -5.182 -5.918 9.487 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.207 -3.369 10.917 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.943 -2.105 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.480 -3.037 9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.595 -3.625 7.948 1.00 0.00 H new ATOM 1370 N LEU A 91 -7.362 -2.753 9.340 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.773 -2.657 8.983 1.00 0.00 C ATOM 1372 C LEU A 91 -9.014 -1.495 8.024 1.00 0.00 C ATOM 1373 O LEU A 91 -8.467 -0.404 8.182 1.00 0.00 O ATOM 1374 CB LEU A 91 -9.626 -2.482 10.240 1.00 0.00 C ATOM 1375 CG LEU A 91 -11.109 -2.827 10.099 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -11.289 -4.315 9.843 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -11.877 -2.401 11.342 1.00 0.00 C ATOM 0 H LEU A 91 -6.873 -1.858 9.372 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.060 -3.582 8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.203 -3.102 11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.544 -1.446 10.569 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.509 -2.281 9.245 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.351 -4.542 9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.773 -4.591 8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.872 -4.881 10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.930 -2.654 11.223 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.475 -2.918 12.213 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.776 -1.325 11.481 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.856 -1.733 7.006 1.00 0.00 N ATOM 1390 CA PRO A 92 -10.192 -0.717 6.004 1.00 0.00 C ATOM 1391 C PRO A 92 -11.049 0.405 6.580 1.00 0.00 C ATOM 1392 O PRO A 92 -11.278 1.421 5.924 1.00 0.00 O ATOM 1393 CB PRO A 92 -10.977 -1.504 4.952 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.549 -2.662 5.694 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.544 -3.010 6.757 1.00 0.00 C ATOM 0 HA PRO A 92 -9.304 -0.222 5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.762 -0.894 4.505 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.329 -1.835 4.140 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.512 -2.405 6.136 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.720 -3.507 5.027 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.027 -3.389 7.658 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.851 -3.780 6.418 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.518 0.213 7.809 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.351 1.211 8.472 1.00 0.00 C ATOM 1405 C GLU A 93 -11.532 2.443 8.842 1.00 0.00 C ATOM 1406 O GLU A 93 -11.904 3.570 8.516 1.00 0.00 O ATOM 1407 CB GLU A 93 -12.995 0.617 9.726 1.00 0.00 C ATOM 1408 CG GLU A 93 -13.926 -0.549 9.439 1.00 0.00 C ATOM 1409 CD GLU A 93 -14.883 -0.828 10.582 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -15.694 0.063 10.908 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -14.818 -1.939 11.149 1.00 0.00 O ATOM 0 H GLU A 93 -11.336 -0.622 8.365 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.135 1.513 7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.210 0.285 10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.553 1.398 10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.498 -0.338 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.333 -1.442 9.241 1.00 0.00 H new ATOM 1418 N ASP A 94 -10.415 2.221 9.526 1.00 0.00 N ATOM 1419 CA ASP A 94 -9.542 3.313 9.941 1.00 0.00 C ATOM 1420 C ASP A 94 -8.619 3.733 8.802 1.00 0.00 C ATOM 1421 O ASP A 94 -8.193 4.888 8.727 1.00 0.00 O ATOM 1422 CB ASP A 94 -8.715 2.898 11.159 1.00 0.00 C ATOM 1423 CG ASP A 94 -9.397 3.242 12.468 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -9.748 4.425 12.661 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -9.582 2.328 13.298 1.00 0.00 O ATOM 0 H ASP A 94 -10.093 1.294 9.805 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.168 4.164 10.210 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.531 1.824 11.120 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.743 3.390 11.119 1.00 0.00 H new ATOM 1430 N LEU A 95 -8.311 2.791 7.918 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.436 3.062 6.783 1.00 0.00 C ATOM 1432 C LEU A 95 -7.995 4.192 5.923 1.00 0.00 C ATOM 1433 O LEU A 95 -7.243 4.969 5.335 1.00 0.00 O ATOM 1434 CB LEU A 95 -7.260 1.801 5.936 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.619 1.999 4.561 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.287 2.720 4.693 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.436 0.661 3.861 1.00 0.00 C ATOM 0 H LEU A 95 -8.655 1.832 7.965 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.465 3.370 7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.653 1.091 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.239 1.342 5.796 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.284 2.615 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.845 2.852 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.445 3.695 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.614 2.130 5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.979 0.821 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.791 0.021 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.406 0.181 3.733 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.319 4.278 5.856 1.00 0.00 N ATOM 1450 CA VAL A 96 -9.980 5.314 5.072 1.00 0.00 C ATOM 1451 C VAL A 96 -9.522 6.704 5.500 1.00 0.00 C ATOM 1452 O VAL A 96 -9.404 7.610 4.677 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.512 5.228 5.203 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -12.165 6.509 4.706 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -12.044 4.020 4.446 1.00 0.00 C ATOM 0 H VAL A 96 -9.956 3.642 6.336 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.702 5.147 4.031 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.762 5.107 6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.247 6.428 4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.807 7.353 5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.909 6.665 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.128 3.974 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.783 4.108 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.602 3.111 4.855 1.00 0.00 H new ATOM 1465 N GLU A 97 -9.265 6.863 6.795 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.821 8.143 7.333 1.00 0.00 C ATOM 1467 C GLU A 97 -7.305 8.161 7.512 1.00 0.00 C ATOM 1468 O GLU A 97 -6.773 8.925 8.317 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.506 8.426 8.672 1.00 0.00 C ATOM 1470 CG GLU A 97 -11.019 8.517 8.573 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.641 9.211 9.770 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -11.211 8.930 10.908 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -12.558 10.034 9.568 1.00 0.00 O ATOM 0 H GLU A 97 -9.357 6.122 7.490 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.096 8.921 6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.243 7.639 9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.120 9.361 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.288 9.056 7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.435 7.513 8.483 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.616 7.314 6.754 1.00 0.00 N ATOM 1481 CA VAL A 98 -5.162 7.232 6.826 1.00 0.00 C ATOM 1482 C VAL A 98 -4.690 7.124 8.271 1.00 0.00 C ATOM 1483 O VAL A 98 -3.872 7.921 8.729 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.497 8.458 6.171 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -2.982 8.349 6.249 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -4.956 8.604 4.728 1.00 0.00 C ATOM 0 H VAL A 98 -7.042 6.675 6.083 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.868 6.335 6.282 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.801 9.351 6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.530 9.224 5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.674 8.296 7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.655 7.449 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.477 9.475 4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.682 7.710 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.038 8.732 4.702 1.00 0.00 H new ATOM 1496 N ASN A 99 -5.210 6.130 8.985 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.841 5.917 10.380 1.00 0.00 C ATOM 1498 C ASN A 99 -3.429 5.352 10.489 1.00 0.00 C ATOM 1499 O ASN A 99 -3.158 4.212 10.109 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.835 4.968 11.053 1.00 0.00 C ATOM 1501 CG ASN A 99 -6.038 5.290 12.521 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -5.082 5.561 13.247 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -7.290 5.260 12.965 1.00 0.00 N ATOM 0 H ASN A 99 -5.887 5.460 8.621 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.868 6.881 10.888 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.793 5.023 10.536 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.478 3.943 10.955 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.489 5.467 13.944 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.052 5.030 12.327 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.505 6.166 11.020 1.00 0.00 N ATOM 1511 CA PRO A 100 -1.104 5.768 11.193 1.00 0.00 C ATOM 1512 C PRO A 100 -0.932 4.706 12.274 1.00 0.00 C ATOM 1513 O PRO A 100 0.056 3.971 12.285 1.00 0.00 O ATOM 1514 CB PRO A 100 -0.413 7.070 11.607 1.00 0.00 C ATOM 1515 CG PRO A 100 -1.491 7.888 12.230 1.00 0.00 C ATOM 1516 CD PRO A 100 -2.755 7.537 11.494 1.00 0.00 C ATOM 0 HA PRO A 100 -0.693 5.321 10.288 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.398 6.882 12.310 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.023 7.578 10.747 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.584 7.666 13.293 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.272 8.952 12.144 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.626 7.584 12.147 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.941 8.221 10.666 1.00 0.00 H new ATOM 1524 N LYS A 101 -1.899 4.631 13.182 1.00 0.00 N ATOM 1525 CA LYS A 101 -1.856 3.658 14.267 1.00 0.00 C ATOM 1526 C LYS A 101 -1.935 2.234 13.725 1.00 0.00 C ATOM 1527 O LYS A 101 -1.309 1.321 14.261 1.00 0.00 O ATOM 1528 CB LYS A 101 -3.004 3.906 15.248 1.00 0.00 C ATOM 1529 CG LYS A 101 -2.704 4.982 16.277 1.00 0.00 C ATOM 1530 CD LYS A 101 -3.078 6.362 15.765 1.00 0.00 C ATOM 1531 CE LYS A 101 -3.212 7.361 16.904 1.00 0.00 C ATOM 1532 NZ LYS A 101 -4.091 8.507 16.537 1.00 0.00 N ATOM 0 H LYS A 101 -2.723 5.233 13.188 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.907 3.777 14.790 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.895 4.190 14.687 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.236 2.975 15.765 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.253 4.772 17.195 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.644 4.961 16.528 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.320 6.709 15.063 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.018 6.305 15.217 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.618 6.858 17.782 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.225 7.734 17.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.157 9.165 17.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.690 9.002 15.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -5.040 8.154 16.300 1.00 0.00 H new ATOM 1546 N MET A 102 -2.707 2.055 12.659 1.00 0.00 N ATOM 1547 CA MET A 102 -2.865 0.742 12.043 1.00 0.00 C ATOM 1548 C MET A 102 -1.991 0.616 10.798 1.00 0.00 C ATOM 1549 O MET A 102 -1.355 -0.414 10.576 1.00 0.00 O ATOM 1550 CB MET A 102 -4.330 0.500 11.676 1.00 0.00 C ATOM 1551 CG MET A 102 -5.189 0.075 12.856 1.00 0.00 C ATOM 1552 SD MET A 102 -6.939 0.429 12.604 1.00 0.00 S ATOM 1553 CE MET A 102 -7.237 -0.420 11.057 1.00 0.00 C ATOM 0 H MET A 102 -3.233 2.801 12.204 1.00 0.00 H new ATOM 0 HA MET A 102 -2.549 -0.010 12.766 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.744 1.412 11.245 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.381 -0.268 10.904 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.060 -0.993 13.029 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.844 0.587 13.754 1.00 0.00 H new ATOM 0 HE1 MET A 102 -8.243 -0.191 10.704 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.509 -0.091 10.315 1.00 0.00 H new ATOM 0 HE3 MET A 102 -7.141 -1.495 11.208 1.00 0.00 H new ATOM 1563 N VAL A 103 -1.963 1.672 9.991 1.00 0.00 N ATOM 1564 CA VAL A 103 -1.166 1.679 8.770 1.00 0.00 C ATOM 1565 C VAL A 103 0.204 1.051 9.003 1.00 0.00 C ATOM 1566 O VAL A 103 0.848 0.579 8.068 1.00 0.00 O ATOM 1567 CB VAL A 103 -0.977 3.110 8.231 1.00 0.00 C ATOM 1568 CG1 VAL A 103 0.104 3.140 7.163 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -2.291 3.652 7.688 1.00 0.00 C ATOM 0 H VAL A 103 -2.483 2.533 10.161 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.712 1.090 8.033 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.658 3.751 9.053 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.223 4.159 6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.046 2.796 7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.181 2.487 6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.139 4.664 7.311 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.642 3.012 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.035 3.669 8.485 1.00 0.00 H new ATOM 1579 N MET A 104 0.641 1.049 10.258 1.00 0.00 N ATOM 1580 CA MET A 104 1.934 0.478 10.616 1.00 0.00 C ATOM 1581 C MET A 104 2.130 -0.881 9.952 1.00 0.00 C ATOM 1582 O MET A 104 3.243 -1.244 9.571 1.00 0.00 O ATOM 1583 CB MET A 104 2.052 0.338 12.135 1.00 0.00 C ATOM 1584 CG MET A 104 1.439 -0.943 12.676 1.00 0.00 C ATOM 1585 SD MET A 104 0.749 -0.738 14.329 1.00 0.00 S ATOM 1586 CE MET A 104 -0.752 -1.707 14.192 1.00 0.00 C ATOM 0 H MET A 104 0.119 1.436 11.044 1.00 0.00 H new ATOM 0 HA MET A 104 2.712 1.153 10.260 1.00 0.00 H new ATOM 0 HB2 MET A 104 3.105 0.373 12.414 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.568 1.192 12.609 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.655 -1.280 11.998 1.00 0.00 H new ATOM 0 HG3 MET A 104 2.199 -1.724 12.698 1.00 0.00 H new ATOM 0 HE1 MET A 104 -1.568 -1.186 14.692 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.001 -1.846 13.140 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.601 -2.680 14.661 1.00 0.00 H new ATOM 1596 N THR A 105 1.040 -1.630 9.815 1.00 0.00 N ATOM 1597 CA THR A 105 1.093 -2.950 9.199 1.00 0.00 C ATOM 1598 C THR A 105 0.744 -2.878 7.716 1.00 0.00 C ATOM 1599 O THR A 105 1.335 -3.580 6.894 1.00 0.00 O ATOM 1600 CB THR A 105 0.131 -3.933 9.893 1.00 0.00 C ATOM 1601 OG1 THR A 105 -1.187 -3.375 9.946 1.00 0.00 O ATOM 1602 CG2 THR A 105 0.608 -4.253 11.302 1.00 0.00 C ATOM 0 H THR A 105 0.110 -1.345 10.122 1.00 0.00 H new ATOM 0 HA THR A 105 2.115 -3.312 9.313 1.00 0.00 H new ATOM 0 HB THR A 105 0.111 -4.856 9.314 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.722 -3.862 10.607 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.087 -4.949 11.772 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.599 -4.705 11.257 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.654 -3.335 11.888 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.218 -2.025 7.379 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.644 -1.861 5.995 1.00 0.00 C ATOM 1612 C VAL A 106 0.547 -1.924 5.043 1.00 0.00 C ATOM 1613 O VAL A 106 0.504 -2.616 4.025 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.381 -0.524 5.790 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.385 -0.137 4.318 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.799 -0.610 6.331 1.00 0.00 C ATOM 0 H VAL A 106 -0.717 -1.437 8.046 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.327 -2.681 5.774 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.852 0.252 6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.910 0.810 4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.359 -0.032 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.889 -0.911 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.305 0.343 6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.341 -1.397 5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.769 -0.838 7.397 1.00 0.00 H new ATOM 1626 N PHE A 107 1.607 -1.198 5.381 1.00 0.00 N ATOM 1627 CA PHE A 107 2.809 -1.171 4.556 1.00 0.00 C ATOM 1628 C PHE A 107 3.802 -2.238 5.008 1.00 0.00 C ATOM 1629 O PHE A 107 4.224 -3.083 4.220 1.00 0.00 O ATOM 1630 CB PHE A 107 3.463 0.210 4.617 1.00 0.00 C ATOM 1631 CG PHE A 107 2.864 1.200 3.659 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.617 0.846 2.342 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.548 2.483 4.074 1.00 0.00 C ATOM 1634 CE1 PHE A 107 2.067 1.755 1.457 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.997 3.397 3.195 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.756 3.032 1.885 1.00 0.00 C ATOM 0 H PHE A 107 1.658 -0.621 6.220 1.00 0.00 H new ATOM 0 HA PHE A 107 2.519 -1.383 3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.376 0.600 5.631 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.527 0.109 4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 107 2.857 -0.151 2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.734 2.773 5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.881 1.468 0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.756 4.394 3.532 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.325 3.743 1.196 1.00 0.00 H new ATOM 1646 N ALA A 108 4.174 -2.189 6.284 1.00 0.00 N ATOM 1647 CA ALA A 108 5.116 -3.151 6.843 1.00 0.00 C ATOM 1648 C ALA A 108 4.905 -4.537 6.244 1.00 0.00 C ATOM 1649 O ALA A 108 5.832 -5.135 5.697 1.00 0.00 O ATOM 1650 CB ALA A 108 4.982 -3.202 8.357 1.00 0.00 C ATOM 0 H ALA A 108 3.837 -1.493 6.949 1.00 0.00 H new ATOM 0 HA ALA A 108 6.125 -2.824 6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.691 -3.924 8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.190 -2.217 8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.968 -3.501 8.623 1.00 0.00 H new ATOM 1656 N CYS A 109 3.681 -5.044 6.352 1.00 0.00 N ATOM 1657 CA CYS A 109 3.350 -6.361 5.821 1.00 0.00 C ATOM 1658 C CYS A 109 3.831 -6.506 4.382 1.00 0.00 C ATOM 1659 O CYS A 109 4.305 -7.568 3.978 1.00 0.00 O ATOM 1660 CB CYS A 109 1.841 -6.598 5.894 1.00 0.00 C ATOM 1661 SG CYS A 109 1.368 -8.342 5.953 1.00 0.00 S ATOM 0 H CYS A 109 2.902 -4.563 6.802 1.00 0.00 H new ATOM 0 HA CYS A 109 3.858 -7.108 6.430 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.448 -6.096 6.778 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.369 -6.134 5.028 1.00 0.00 H new ATOM 0 HG CYS A 109 1.081 -8.673 7.177 1.00 0.00 H new ATOM 1667 N LEU A 110 3.706 -5.430 3.611 1.00 0.00 N ATOM 1668 CA LEU A 110 4.127 -5.437 2.214 1.00 0.00 C ATOM 1669 C LEU A 110 5.648 -5.395 2.104 1.00 0.00 C ATOM 1670 O LEU A 110 6.246 -6.163 1.352 1.00 0.00 O ATOM 1671 CB LEU A 110 3.518 -4.247 1.472 1.00 0.00 C ATOM 1672 CG LEU A 110 1.999 -4.278 1.286 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.495 -2.929 0.796 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.602 -5.382 0.318 1.00 0.00 C ATOM 0 H LEU A 110 3.317 -4.543 3.930 1.00 0.00 H new ATOM 0 HA LEU A 110 3.773 -6.362 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.780 -3.336 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.983 -4.181 0.489 1.00 0.00 H new ATOM 0 HG LEU A 110 1.538 -4.487 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.413 -2.969 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.747 -2.160 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.964 -2.690 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.519 -5.389 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.073 -5.205 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.930 -6.345 0.710 1.00 0.00 H new