USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 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 180:sc= -0.199 USER MOD Set 1.2: A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 38 SER OG : rot -61:sc= 1.25 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.946 K(o=0.95,f=-0.1) USER MOD Single : A 19 THR OG1 : rot 75:sc= 0.858 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -43:sc= 0.166 USER MOD Single : A 27 SER OG : rot -146:sc= -2.18! 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 180:sc= 0 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 10:sc= 0.968 USER MOD Single : A 40 SER OG : rot -76:sc= -0.851 USER MOD Single : A 51 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0983 K(o=-0.098,f=-1.4!) USER MOD Single : A 57 TYR OH : rot 37:sc= 0.577 USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 0.0214 (180deg=0.00497) USER MOD Single : A 62 THR OG1 : rot -40:sc= 0.75 USER MOD Single : A 64 ASN : amide:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 66 ASN : amide:sc= -4.09! C(o=-4.1!,f=-4.1!) USER MOD Single : A 72 ASN :FLIP amide:sc=-0.00284 F(o=-0.91,f=-0.0028) USER MOD Single : A 73 ASN : amide:sc= -1.34 X(o=-1.3,f=-1) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= -0.212 (180deg=-1.02) USER MOD Single : A 79 SER OG : rot 180:sc= -0.849 USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= -0.0202 (180deg=-0.7) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0241 K(o=-0.024,f=-1.7) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -175:sc= 0 (180deg=-0.0543) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 109 CYS SG : rot 106:sc= -0.515! USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 12.045 3.845 7.475 1.00 0.00 N ATOM 93 CA ASP A 10 11.898 5.027 6.633 1.00 0.00 C ATOM 94 C ASP A 10 11.748 4.635 5.166 1.00 0.00 C ATOM 95 O ASP A 10 11.105 5.339 4.389 1.00 0.00 O ATOM 96 CB ASP A 10 13.102 5.955 6.805 1.00 0.00 C ATOM 97 CG ASP A 10 12.767 7.402 6.496 1.00 0.00 C ATOM 98 OD1 ASP A 10 11.829 7.939 7.119 1.00 0.00 O ATOM 99 OD2 ASP A 10 13.444 7.994 5.629 1.00 0.00 O ATOM 0 HA ASP A 10 10.996 5.554 6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.471 5.881 7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.908 5.624 6.151 1.00 0.00 H new ATOM 104 N ILE A 11 12.346 3.507 4.797 1.00 0.00 N ATOM 105 CA ILE A 11 12.279 3.021 3.424 1.00 0.00 C ATOM 106 C ILE A 11 10.843 2.693 3.027 1.00 0.00 C ATOM 107 O ILE A 11 10.509 2.658 1.843 1.00 0.00 O ATOM 108 CB ILE A 11 13.154 1.770 3.227 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.406 1.527 1.737 1.00 0.00 C ATOM 110 CG2 ILE A 11 12.492 0.556 3.862 1.00 0.00 C ATOM 111 CD1 ILE A 11 14.656 0.724 1.459 1.00 0.00 C ATOM 0 H ILE A 11 12.882 2.913 5.429 1.00 0.00 H new ATOM 0 HA ILE A 11 12.656 3.821 2.786 1.00 0.00 H new ATOM 0 HB ILE A 11 14.114 1.935 3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.548 1.007 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.481 2.488 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.122 -0.321 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.358 0.731 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.521 0.387 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.771 0.591 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.523 1.253 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.576 -0.251 1.939 1.00 0.00 H new ATOM 123 N ILE A 12 9.999 2.454 4.026 1.00 0.00 N ATOM 124 CA ILE A 12 8.599 2.132 3.781 1.00 0.00 C ATOM 125 C ILE A 12 8.002 3.049 2.720 1.00 0.00 C ATOM 126 O ILE A 12 7.170 2.627 1.916 1.00 0.00 O ATOM 127 CB ILE A 12 7.762 2.243 5.069 1.00 0.00 C ATOM 128 CG1 ILE A 12 8.279 1.263 6.125 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.293 1.981 4.771 1.00 0.00 C ATOM 130 CD1 ILE A 12 7.528 1.334 7.435 1.00 0.00 C ATOM 0 H ILE A 12 10.261 2.477 5.012 1.00 0.00 H new ATOM 0 HA ILE A 12 8.570 1.102 3.426 1.00 0.00 H new ATOM 0 HB ILE A 12 7.858 3.256 5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.211 0.249 5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.334 1.464 6.309 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.715 2.063 5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.932 2.713 4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.179 0.978 4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.949 0.612 8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.617 2.337 7.851 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.476 1.104 7.264 1.00 0.00 H new ATOM 142 N VAL A 13 8.432 4.307 2.721 1.00 0.00 N ATOM 143 CA VAL A 13 7.942 5.284 1.756 1.00 0.00 C ATOM 144 C VAL A 13 8.651 5.135 0.415 1.00 0.00 C ATOM 145 O VAL A 13 8.018 5.158 -0.640 1.00 0.00 O ATOM 146 CB VAL A 13 8.133 6.724 2.270 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.630 7.727 1.243 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.426 6.912 3.603 1.00 0.00 C ATOM 0 H VAL A 13 9.119 4.673 3.380 1.00 0.00 H new ATOM 0 HA VAL A 13 6.877 5.092 1.623 1.00 0.00 H new ATOM 0 HB VAL A 13 9.198 6.899 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.773 8.739 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.187 7.606 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.570 7.556 1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.572 7.935 3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.360 6.719 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.839 6.218 4.335 1.00 0.00 H new ATOM 158 N ASN A 14 9.971 4.983 0.464 1.00 0.00 N ATOM 159 CA ASN A 14 10.766 4.830 -0.749 1.00 0.00 C ATOM 160 C ASN A 14 10.330 3.599 -1.536 1.00 0.00 C ATOM 161 O ASN A 14 9.961 3.697 -2.706 1.00 0.00 O ATOM 162 CB ASN A 14 12.252 4.724 -0.397 1.00 0.00 C ATOM 163 CG ASN A 14 12.941 6.076 -0.385 1.00 0.00 C ATOM 164 OD1 ASN A 14 13.129 6.680 0.672 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.322 6.557 -1.563 1.00 0.00 N ATOM 0 H ASN A 14 10.511 4.963 1.329 1.00 0.00 H new ATOM 0 HA ASN A 14 10.607 5.710 -1.371 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.358 4.256 0.582 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.748 4.073 -1.117 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.791 7.461 -1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.146 6.022 -2.413 1.00 0.00 H new ATOM 172 N TRP A 15 10.374 2.442 -0.885 1.00 0.00 N ATOM 173 CA TRP A 15 9.982 1.190 -1.523 1.00 0.00 C ATOM 174 C TRP A 15 8.675 1.357 -2.291 1.00 0.00 C ATOM 175 O TRP A 15 8.571 0.962 -3.452 1.00 0.00 O ATOM 176 CB TRP A 15 9.835 0.084 -0.477 1.00 0.00 C ATOM 177 CG TRP A 15 9.654 -1.279 -1.076 1.00 0.00 C ATOM 178 CD1 TRP A 15 10.634 -2.103 -1.548 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.416 -1.972 -1.267 1.00 0.00 C ATOM 180 NE1 TRP A 15 10.080 -3.268 -2.021 1.00 0.00 N ATOM 181 CE2 TRP A 15 8.721 -3.213 -1.859 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.080 -1.666 -0.993 1.00 0.00 C ATOM 183 CZ2 TRP A 15 7.738 -4.144 -2.183 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.106 -2.593 -1.315 1.00 0.00 C ATOM 185 CH2 TRP A 15 6.439 -3.819 -1.904 1.00 0.00 C ATOM 0 H TRP A 15 10.677 2.345 0.084 1.00 0.00 H new ATOM 0 HA TRP A 15 10.764 0.911 -2.229 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.718 0.078 0.162 1.00 0.00 H new ATOM 0 HB3 TRP A 15 8.981 0.309 0.162 1.00 0.00 H new ATOM 0 HD1 TRP A 15 11.689 -1.873 -1.550 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.597 -4.048 -2.427 1.00 0.00 H new ATOM 0 HE3 TRP A 15 6.814 -0.723 -0.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.992 -5.090 -2.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.070 -2.368 -1.109 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.655 -4.522 -2.143 1.00 0.00 H new ATOM 196 N VAL A 16 7.679 1.944 -1.635 1.00 0.00 N ATOM 197 CA VAL A 16 6.378 2.165 -2.257 1.00 0.00 C ATOM 198 C VAL A 16 6.509 3.012 -3.517 1.00 0.00 C ATOM 199 O VAL A 16 6.048 2.622 -4.589 1.00 0.00 O ATOM 200 CB VAL A 16 5.401 2.854 -1.286 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.055 3.081 -1.955 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.243 2.031 -0.016 1.00 0.00 C ATOM 0 H VAL A 16 7.748 2.275 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 16 5.983 1.184 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 16 5.812 3.826 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.378 3.569 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.187 3.714 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.634 2.123 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.549 2.533 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.855 1.044 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.212 1.926 0.472 1.00 0.00 H new ATOM 212 N ASN A 17 7.139 4.173 -3.379 1.00 0.00 N ATOM 213 CA ASN A 17 7.330 5.077 -4.508 1.00 0.00 C ATOM 214 C ASN A 17 7.951 4.345 -5.694 1.00 0.00 C ATOM 215 O ASN A 17 7.434 4.398 -6.809 1.00 0.00 O ATOM 216 CB ASN A 17 8.218 6.255 -4.101 1.00 0.00 C ATOM 217 CG ASN A 17 7.439 7.350 -3.397 1.00 0.00 C ATOM 218 OD1 ASN A 17 7.324 8.467 -3.901 1.00 0.00 O ATOM 219 ND2 ASN A 17 6.900 7.032 -2.226 1.00 0.00 N ATOM 0 H ASN A 17 7.526 4.511 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 17 6.352 5.453 -4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.012 5.898 -3.445 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.699 6.668 -4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.364 7.727 -1.706 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.021 6.093 -1.847 1.00 0.00 H new ATOM 226 N GLU A 18 9.063 3.659 -5.443 1.00 0.00 N ATOM 227 CA GLU A 18 9.754 2.916 -6.489 1.00 0.00 C ATOM 228 C GLU A 18 8.828 1.881 -7.124 1.00 0.00 C ATOM 229 O GLU A 18 8.569 1.919 -8.327 1.00 0.00 O ATOM 230 CB GLU A 18 10.994 2.225 -5.921 1.00 0.00 C ATOM 231 CG GLU A 18 12.242 3.092 -5.950 1.00 0.00 C ATOM 232 CD GLU A 18 12.852 3.189 -7.335 1.00 0.00 C ATOM 233 OE1 GLU A 18 12.157 3.665 -8.257 1.00 0.00 O ATOM 234 OE2 GLU A 18 14.024 2.790 -7.496 1.00 0.00 O ATOM 0 H GLU A 18 9.503 3.603 -4.525 1.00 0.00 H new ATOM 0 HA GLU A 18 10.062 3.624 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.794 1.926 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.182 1.313 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.993 4.092 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.980 2.683 -5.260 1.00 0.00 H new ATOM 241 N THR A 19 8.332 0.959 -6.305 1.00 0.00 N ATOM 242 CA THR A 19 7.437 -0.087 -6.786 1.00 0.00 C ATOM 243 C THR A 19 6.442 0.465 -7.800 1.00 0.00 C ATOM 244 O THR A 19 6.179 -0.159 -8.829 1.00 0.00 O ATOM 245 CB THR A 19 6.661 -0.738 -5.625 1.00 0.00 C ATOM 246 OG1 THR A 19 7.574 -1.374 -4.722 1.00 0.00 O ATOM 247 CG2 THR A 19 5.664 -1.760 -6.148 1.00 0.00 C ATOM 0 H THR A 19 8.535 0.915 -5.306 1.00 0.00 H new ATOM 0 HA THR A 19 8.060 -0.841 -7.266 1.00 0.00 H new ATOM 0 HB THR A 19 6.114 0.044 -5.098 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.028 -0.693 -4.182 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.128 -2.207 -5.311 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.954 -1.268 -6.813 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.195 -2.539 -6.696 1.00 0.00 H new ATOM 255 N LEU A 20 5.892 1.637 -7.505 1.00 0.00 N ATOM 256 CA LEU A 20 4.925 2.274 -8.393 1.00 0.00 C ATOM 257 C LEU A 20 5.614 2.848 -9.627 1.00 0.00 C ATOM 258 O LEU A 20 5.145 2.669 -10.751 1.00 0.00 O ATOM 259 CB LEU A 20 4.175 3.382 -7.652 1.00 0.00 C ATOM 260 CG LEU A 20 3.327 2.937 -6.460 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.246 4.044 -5.420 1.00 0.00 C ATOM 262 CD2 LEU A 20 1.934 2.529 -6.918 1.00 0.00 C ATOM 0 H LEU A 20 6.099 2.166 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 20 4.212 1.516 -8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.903 4.114 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.526 3.893 -8.364 1.00 0.00 H new ATOM 0 HG LEU A 20 3.805 2.071 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.639 3.709 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.249 4.288 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.792 4.929 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.345 2.215 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.447 3.376 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.011 1.703 -7.625 1.00 0.00 H new ATOM 274 N ARG A 21 6.730 3.535 -9.408 1.00 0.00 N ATOM 275 CA ARG A 21 7.485 4.135 -10.503 1.00 0.00 C ATOM 276 C ARG A 21 7.834 3.090 -11.559 1.00 0.00 C ATOM 277 O ARG A 21 7.595 3.292 -12.748 1.00 0.00 O ATOM 278 CB ARG A 21 8.763 4.785 -9.972 1.00 0.00 C ATOM 279 CG ARG A 21 9.344 5.836 -10.904 1.00 0.00 C ATOM 280 CD ARG A 21 8.534 7.122 -10.870 1.00 0.00 C ATOM 281 NE ARG A 21 9.019 8.101 -11.838 1.00 0.00 N ATOM 282 CZ ARG A 21 8.428 9.270 -12.061 1.00 0.00 C ATOM 283 NH1 ARG A 21 7.336 9.603 -11.386 1.00 0.00 N ATOM 284 NH2 ARG A 21 8.928 10.108 -12.958 1.00 0.00 N ATOM 0 H ARG A 21 7.132 3.690 -8.483 1.00 0.00 H new ATOM 0 HA ARG A 21 6.861 4.900 -10.966 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.553 5.244 -9.006 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.510 4.010 -9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.375 6.047 -10.619 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.368 5.447 -11.922 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.488 6.897 -11.076 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.577 7.551 -9.869 1.00 0.00 H new ATOM 0 HE ARG A 21 9.858 7.875 -12.373 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.948 8.961 -10.694 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.884 10.501 -11.559 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.768 9.856 -13.479 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.473 11.005 -13.128 1.00 0.00 H new ATOM 298 N GLU A 22 8.402 1.972 -11.113 1.00 0.00 N ATOM 299 CA GLU A 22 8.784 0.897 -12.021 1.00 0.00 C ATOM 300 C GLU A 22 7.594 0.447 -12.863 1.00 0.00 C ATOM 301 O GLU A 22 7.737 0.149 -14.049 1.00 0.00 O ATOM 302 CB GLU A 22 9.345 -0.289 -11.234 1.00 0.00 C ATOM 303 CG GLU A 22 10.483 0.084 -10.298 1.00 0.00 C ATOM 304 CD GLU A 22 11.425 -1.073 -10.034 1.00 0.00 C ATOM 305 OE1 GLU A 22 10.969 -2.096 -9.481 1.00 0.00 O ATOM 306 OE2 GLU A 22 12.619 -0.958 -10.383 1.00 0.00 O ATOM 0 H GLU A 22 8.607 1.788 -10.131 1.00 0.00 H new ATOM 0 HA GLU A 22 9.556 1.278 -12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.541 -0.741 -10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.696 -1.046 -11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.044 0.914 -10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.070 0.434 -9.352 1.00 0.00 H new ATOM 313 N ALA A 23 6.421 0.398 -12.241 1.00 0.00 N ATOM 314 CA ALA A 23 5.206 -0.014 -12.932 1.00 0.00 C ATOM 315 C ALA A 23 4.590 1.149 -13.701 1.00 0.00 C ATOM 316 O ALA A 23 3.697 0.956 -14.526 1.00 0.00 O ATOM 317 CB ALA A 23 4.202 -0.585 -11.941 1.00 0.00 C ATOM 0 H ALA A 23 6.286 0.639 -11.259 1.00 0.00 H new ATOM 0 HA ALA A 23 5.472 -0.790 -13.650 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.299 -0.888 -12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.637 -1.450 -11.440 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.950 0.174 -11.201 1.00 0.00 H new ATOM 323 N GLU A 24 5.073 2.357 -13.426 1.00 0.00 N ATOM 324 CA GLU A 24 4.567 3.551 -14.093 1.00 0.00 C ATOM 325 C GLU A 24 3.169 3.902 -13.592 1.00 0.00 C ATOM 326 O GLU A 24 2.275 4.216 -14.378 1.00 0.00 O ATOM 327 CB GLU A 24 4.541 3.344 -15.608 1.00 0.00 C ATOM 328 CG GLU A 24 5.808 2.709 -16.158 1.00 0.00 C ATOM 329 CD GLU A 24 6.868 3.735 -16.511 1.00 0.00 C ATOM 330 OE1 GLU A 24 7.475 4.306 -15.581 1.00 0.00 O ATOM 331 OE2 GLU A 24 7.091 3.964 -17.718 1.00 0.00 O ATOM 0 H GLU A 24 5.813 2.534 -12.747 1.00 0.00 H new ATOM 0 HA GLU A 24 5.237 4.378 -13.859 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.688 2.716 -15.866 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.386 4.307 -16.095 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.211 2.014 -15.421 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.562 2.126 -17.045 1.00 0.00 H new ATOM 338 N LYS A 25 2.986 3.848 -12.277 1.00 0.00 N ATOM 339 CA LYS A 25 1.698 4.160 -11.669 1.00 0.00 C ATOM 340 C LYS A 25 1.622 5.634 -11.284 1.00 0.00 C ATOM 341 O LYS A 25 2.620 6.233 -10.883 1.00 0.00 O ATOM 342 CB LYS A 25 1.470 3.287 -10.433 1.00 0.00 C ATOM 343 CG LYS A 25 0.760 1.979 -10.736 1.00 0.00 C ATOM 344 CD LYS A 25 1.377 1.274 -11.933 1.00 0.00 C ATOM 345 CE LYS A 25 0.551 0.069 -12.357 1.00 0.00 C ATOM 346 NZ LYS A 25 -0.588 0.457 -13.233 1.00 0.00 N ATOM 0 H LYS A 25 3.715 3.591 -11.611 1.00 0.00 H new ATOM 0 HA LYS A 25 0.918 3.953 -12.402 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.432 3.070 -9.969 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.885 3.848 -9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.808 1.327 -9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.295 2.173 -10.931 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.458 1.972 -12.766 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.389 0.954 -11.686 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.189 -0.641 -12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.171 -0.440 -11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.126 -0.392 -13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.211 1.115 -12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.225 0.920 -14.090 1.00 0.00 H new ATOM 360 N SER A 26 0.431 6.212 -11.408 1.00 0.00 N ATOM 361 CA SER A 26 0.225 7.617 -11.075 1.00 0.00 C ATOM 362 C SER A 26 -0.055 7.787 -9.585 1.00 0.00 C ATOM 363 O SER A 26 -0.416 8.872 -9.130 1.00 0.00 O ATOM 364 CB SER A 26 -0.933 8.192 -11.892 1.00 0.00 C ATOM 365 OG SER A 26 -0.893 9.608 -11.908 1.00 0.00 O ATOM 0 H SER A 26 -0.405 5.729 -11.736 1.00 0.00 H new ATOM 0 HA SER A 26 1.138 8.160 -11.320 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.886 7.812 -12.913 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.881 7.857 -11.471 1.00 0.00 H new ATOM 0 HG SER A 26 -0.690 9.940 -11.008 1.00 0.00 H new ATOM 371 N SER A 27 0.113 6.705 -8.830 1.00 0.00 N ATOM 372 CA SER A 27 -0.126 6.732 -7.393 1.00 0.00 C ATOM 373 C SER A 27 1.192 6.779 -6.624 1.00 0.00 C ATOM 374 O SER A 27 2.211 6.266 -7.086 1.00 0.00 O ATOM 375 CB SER A 27 -0.935 5.506 -6.965 1.00 0.00 C ATOM 376 OG SER A 27 -2.095 5.357 -7.765 1.00 0.00 O ATOM 0 H SER A 27 0.414 5.800 -9.191 1.00 0.00 H new ATOM 0 HA SER A 27 -0.695 7.632 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.317 4.612 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.221 5.603 -5.918 1.00 0.00 H new ATOM 0 HG SER A 27 -2.822 4.986 -7.222 1.00 0.00 H new ATOM 382 N SER A 28 1.163 7.397 -5.448 1.00 0.00 N ATOM 383 CA SER A 28 2.354 7.515 -4.616 1.00 0.00 C ATOM 384 C SER A 28 2.015 8.146 -3.268 1.00 0.00 C ATOM 385 O SER A 28 0.869 8.516 -3.015 1.00 0.00 O ATOM 386 CB SER A 28 3.419 8.349 -5.329 1.00 0.00 C ATOM 387 OG SER A 28 2.912 9.622 -5.692 1.00 0.00 O ATOM 0 H SER A 28 0.327 7.824 -5.050 1.00 0.00 H new ATOM 0 HA SER A 28 2.745 6.513 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.285 8.471 -4.679 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.761 7.823 -6.220 1.00 0.00 H new ATOM 0 HG SER A 28 3.613 10.136 -6.145 1.00 0.00 H new ATOM 393 N ILE A 29 3.022 8.264 -2.409 1.00 0.00 N ATOM 394 CA ILE A 29 2.832 8.850 -1.088 1.00 0.00 C ATOM 395 C ILE A 29 4.043 9.679 -0.676 1.00 0.00 C ATOM 396 O ILE A 29 5.183 9.323 -0.975 1.00 0.00 O ATOM 397 CB ILE A 29 2.577 7.768 -0.022 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.635 6.668 -0.118 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.182 7.184 -0.184 1.00 0.00 C ATOM 400 CD1 ILE A 29 3.933 5.999 1.205 1.00 0.00 C ATOM 0 H ILE A 29 3.977 7.962 -2.604 1.00 0.00 H new ATOM 0 HA ILE A 29 1.957 9.496 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 29 2.645 8.227 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.300 5.914 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.556 7.095 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.017 6.421 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.441 7.975 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.087 6.737 -1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.692 5.230 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.299 6.742 1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.023 5.542 1.595 1.00 0.00 H new ATOM 412 N SER A 30 3.790 10.786 0.016 1.00 0.00 N ATOM 413 CA SER A 30 4.860 11.667 0.470 1.00 0.00 C ATOM 414 C SER A 30 5.386 11.226 1.832 1.00 0.00 C ATOM 415 O SER A 30 6.579 11.335 2.114 1.00 0.00 O ATOM 416 CB SER A 30 4.363 13.111 0.545 1.00 0.00 C ATOM 417 OG SER A 30 4.281 13.691 -0.746 1.00 0.00 O ATOM 0 H SER A 30 2.853 11.094 0.275 1.00 0.00 H new ATOM 0 HA SER A 30 5.676 11.608 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.383 13.137 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.037 13.699 1.169 1.00 0.00 H new ATOM 0 HG SER A 30 3.959 14.614 -0.670 1.00 0.00 H new ATOM 423 N SER A 31 4.486 10.728 2.674 1.00 0.00 N ATOM 424 CA SER A 31 4.857 10.274 4.009 1.00 0.00 C ATOM 425 C SER A 31 3.725 9.475 4.645 1.00 0.00 C ATOM 426 O SER A 31 2.582 9.521 4.187 1.00 0.00 O ATOM 427 CB SER A 31 5.215 11.468 4.896 1.00 0.00 C ATOM 428 OG SER A 31 4.094 12.314 5.089 1.00 0.00 O ATOM 0 H SER A 31 3.495 10.629 2.455 1.00 0.00 H new ATOM 0 HA SER A 31 5.728 9.626 3.916 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.577 11.113 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.027 12.034 4.439 1.00 0.00 H new ATOM 0 HG SER A 31 4.348 13.068 5.660 1.00 0.00 H new ATOM 434 N PHE A 32 4.049 8.740 5.705 1.00 0.00 N ATOM 435 CA PHE A 32 3.060 7.929 6.405 1.00 0.00 C ATOM 436 C PHE A 32 1.745 8.686 6.557 1.00 0.00 C ATOM 437 O PHE A 32 0.666 8.092 6.534 1.00 0.00 O ATOM 438 CB PHE A 32 3.588 7.518 7.781 1.00 0.00 C ATOM 439 CG PHE A 32 4.750 6.569 7.719 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.637 5.356 7.058 1.00 0.00 C ATOM 441 CD2 PHE A 32 5.956 6.889 8.321 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.704 4.480 7.000 1.00 0.00 C ATOM 443 CE2 PHE A 32 7.027 6.016 8.266 1.00 0.00 C ATOM 444 CZ PHE A 32 6.901 4.812 7.604 1.00 0.00 C ATOM 0 H PHE A 32 4.989 8.690 6.097 1.00 0.00 H new ATOM 0 HA PHE A 32 2.876 7.033 5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.888 8.412 8.328 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.780 7.054 8.347 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.704 5.092 6.583 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.061 7.831 8.839 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.602 3.537 6.483 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.961 6.276 8.741 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.737 4.130 7.558 1.00 0.00 H new ATOM 454 N LYS A 33 1.841 10.002 6.714 1.00 0.00 N ATOM 455 CA LYS A 33 0.660 10.843 6.869 1.00 0.00 C ATOM 456 C LYS A 33 0.255 11.465 5.536 1.00 0.00 C ATOM 457 O LYS A 33 -0.129 12.633 5.476 1.00 0.00 O ATOM 458 CB LYS A 33 0.925 11.945 7.898 1.00 0.00 C ATOM 459 CG LYS A 33 0.751 11.487 9.336 1.00 0.00 C ATOM 460 CD LYS A 33 1.331 12.494 10.315 1.00 0.00 C ATOM 461 CE LYS A 33 0.584 12.477 11.641 1.00 0.00 C ATOM 462 NZ LYS A 33 0.600 13.810 12.303 1.00 0.00 N ATOM 0 H LYS A 33 2.725 10.510 6.737 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.159 10.215 7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.940 12.319 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.250 12.779 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.308 11.341 9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.239 10.522 9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.384 12.271 10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.283 13.493 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.447 12.167 11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.035 11.737 12.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.081 13.757 13.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.583 14.095 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.147 14.511 11.683 1.00 0.00 H new ATOM 476 N ASP A 34 0.343 10.677 4.470 1.00 0.00 N ATOM 477 CA ASP A 34 -0.016 11.150 3.139 1.00 0.00 C ATOM 478 C ASP A 34 -1.531 11.148 2.952 1.00 0.00 C ATOM 479 O ASP A 34 -2.232 10.232 3.379 1.00 0.00 O ATOM 480 CB ASP A 34 0.643 10.278 2.069 1.00 0.00 C ATOM 481 CG ASP A 34 -0.044 10.394 0.723 1.00 0.00 C ATOM 482 OD1 ASP A 34 -1.170 9.873 0.585 1.00 0.00 O ATOM 483 OD2 ASP A 34 0.545 11.004 -0.195 1.00 0.00 O ATOM 0 H ASP A 34 0.660 9.708 4.502 1.00 0.00 H new ATOM 0 HA ASP A 34 0.344 12.173 3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.690 10.564 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.628 9.237 2.393 1.00 0.00 H new ATOM 488 N PRO A 35 -2.048 12.198 2.299 1.00 0.00 N ATOM 489 CA PRO A 35 -3.484 12.342 2.040 1.00 0.00 C ATOM 490 C PRO A 35 -3.993 11.331 1.017 1.00 0.00 C ATOM 491 O PRO A 35 -5.081 10.775 1.167 1.00 0.00 O ATOM 492 CB PRO A 35 -3.606 13.765 1.491 1.00 0.00 C ATOM 493 CG PRO A 35 -2.268 14.062 0.907 1.00 0.00 C ATOM 494 CD PRO A 35 -1.271 13.328 1.760 1.00 0.00 C ATOM 0 HA PRO A 35 -4.079 12.164 2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.391 13.833 0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.860 14.473 2.280 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.213 13.731 -0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.070 15.134 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.417 12.986 1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.879 13.962 2.556 1.00 0.00 H new ATOM 502 N LYS A 36 -3.198 11.097 -0.022 1.00 0.00 N ATOM 503 CA LYS A 36 -3.567 10.152 -1.069 1.00 0.00 C ATOM 504 C LYS A 36 -3.884 8.782 -0.479 1.00 0.00 C ATOM 505 O LYS A 36 -4.618 7.994 -1.077 1.00 0.00 O ATOM 506 CB LYS A 36 -2.437 10.029 -2.094 1.00 0.00 C ATOM 507 CG LYS A 36 -2.470 11.101 -3.169 1.00 0.00 C ATOM 508 CD LYS A 36 -1.716 12.348 -2.737 1.00 0.00 C ATOM 509 CE LYS A 36 -1.137 13.091 -3.931 1.00 0.00 C ATOM 510 NZ LYS A 36 -0.736 14.480 -3.578 1.00 0.00 N ATOM 0 H LYS A 36 -2.294 11.549 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.461 10.529 -1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.480 10.077 -1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.493 9.049 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.032 10.710 -4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.505 11.360 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.387 13.008 -2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.912 12.070 -2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.271 12.549 -4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.874 13.119 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.346 14.953 -4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.567 15.006 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.014 14.453 -2.830 1.00 0.00 H new ATOM 524 N ILE A 37 -3.329 8.507 0.696 1.00 0.00 N ATOM 525 CA ILE A 37 -3.556 7.233 1.368 1.00 0.00 C ATOM 526 C ILE A 37 -5.015 7.083 1.784 1.00 0.00 C ATOM 527 O ILE A 37 -5.529 5.970 1.897 1.00 0.00 O ATOM 528 CB ILE A 37 -2.662 7.086 2.612 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.185 7.074 2.208 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.018 5.818 3.373 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.242 6.848 3.368 1.00 0.00 C ATOM 0 H ILE A 37 -2.719 9.149 1.203 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.302 6.450 0.653 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.833 7.940 3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.027 6.293 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.940 8.023 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.377 5.728 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.060 5.863 3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.872 4.953 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.786 6.852 3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.372 7.643 4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.460 5.886 3.832 1.00 0.00 H new ATOM 543 N SER A 38 -5.680 8.212 2.010 1.00 0.00 N ATOM 544 CA SER A 38 -7.080 8.207 2.415 1.00 0.00 C ATOM 545 C SER A 38 -7.952 7.549 1.350 1.00 0.00 C ATOM 546 O SER A 38 -8.990 6.960 1.657 1.00 0.00 O ATOM 547 CB SER A 38 -7.563 9.635 2.674 1.00 0.00 C ATOM 548 OG SER A 38 -7.678 10.362 1.462 1.00 0.00 O ATOM 0 H SER A 38 -5.271 9.142 1.919 1.00 0.00 H new ATOM 0 HA SER A 38 -7.164 7.630 3.336 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.528 9.610 3.180 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.867 10.142 3.342 1.00 0.00 H new ATOM 0 HG SER A 38 -6.799 10.423 1.032 1.00 0.00 H new ATOM 554 N THR A 39 -7.523 7.651 0.096 1.00 0.00 N ATOM 555 CA THR A 39 -8.264 7.067 -1.015 1.00 0.00 C ATOM 556 C THR A 39 -7.770 5.659 -1.324 1.00 0.00 C ATOM 557 O THR A 39 -8.373 4.940 -2.122 1.00 0.00 O ATOM 558 CB THR A 39 -8.144 7.930 -2.285 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.775 8.280 -2.513 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.981 9.195 -2.159 1.00 0.00 C ATOM 0 H THR A 39 -6.666 8.133 -0.176 1.00 0.00 H new ATOM 0 HA THR A 39 -9.310 7.025 -0.710 1.00 0.00 H new ATOM 0 HB THR A 39 -8.515 7.349 -3.129 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.201 7.765 -1.908 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.881 9.789 -3.067 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.027 8.926 -2.015 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.635 9.777 -1.305 1.00 0.00 H new ATOM 568 N SER A 40 -6.670 5.269 -0.687 1.00 0.00 N ATOM 569 CA SER A 40 -6.094 3.946 -0.898 1.00 0.00 C ATOM 570 C SER A 40 -5.492 3.830 -2.296 1.00 0.00 C ATOM 571 O SER A 40 -5.404 2.738 -2.858 1.00 0.00 O ATOM 572 CB SER A 40 -7.158 2.865 -0.697 1.00 0.00 C ATOM 573 OG SER A 40 -6.589 1.681 -0.164 1.00 0.00 O ATOM 0 H SER A 40 -6.160 5.850 -0.021 1.00 0.00 H new ATOM 0 HA SER A 40 -5.298 3.803 -0.167 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.933 3.234 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.640 2.644 -1.649 1.00 0.00 H new ATOM 0 HG SER A 40 -6.108 1.202 -0.871 1.00 0.00 H new ATOM 579 N LEU A 41 -5.081 4.965 -2.850 1.00 0.00 N ATOM 580 CA LEU A 41 -4.487 4.993 -4.182 1.00 0.00 C ATOM 581 C LEU A 41 -3.117 4.322 -4.183 1.00 0.00 C ATOM 582 O LEU A 41 -2.846 3.409 -4.964 1.00 0.00 O ATOM 583 CB LEU A 41 -4.360 6.436 -4.675 1.00 0.00 C ATOM 584 CG LEU A 41 -5.592 7.019 -5.369 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.349 8.468 -5.758 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.957 6.190 -6.592 1.00 0.00 C ATOM 0 H LEU A 41 -5.148 5.877 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.142 4.441 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.114 7.070 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.519 6.490 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.428 6.987 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.236 8.866 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.136 9.054 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.500 8.524 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.836 6.619 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.123 6.190 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.174 5.167 -6.286 1.00 0.00 H new ATOM 598 N PRO A 42 -2.232 4.782 -3.286 1.00 0.00 N ATOM 599 CA PRO A 42 -0.877 4.237 -3.160 1.00 0.00 C ATOM 600 C PRO A 42 -0.870 2.824 -2.589 1.00 0.00 C ATOM 601 O PRO A 42 0.074 2.063 -2.802 1.00 0.00 O ATOM 602 CB PRO A 42 -0.193 5.208 -2.193 1.00 0.00 C ATOM 603 CG PRO A 42 -1.306 5.794 -1.396 1.00 0.00 C ATOM 604 CD PRO A 42 -2.488 5.866 -2.323 1.00 0.00 C ATOM 0 HA PRO A 42 -0.380 4.154 -4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.523 4.692 -1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.358 5.980 -2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.530 5.177 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.041 6.784 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.427 5.716 -1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.553 6.835 -2.817 1.00 0.00 H new ATOM 612 N VAL A 43 -1.929 2.478 -1.864 1.00 0.00 N ATOM 613 CA VAL A 43 -2.045 1.155 -1.263 1.00 0.00 C ATOM 614 C VAL A 43 -2.515 0.126 -2.286 1.00 0.00 C ATOM 615 O VAL A 43 -2.207 -1.062 -2.175 1.00 0.00 O ATOM 616 CB VAL A 43 -3.023 1.162 -0.074 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.891 -0.120 0.734 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.785 2.382 0.803 1.00 0.00 C ATOM 0 H VAL A 43 -2.719 3.096 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.052 0.882 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.040 1.215 -0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.590 -0.097 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.115 -0.976 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.873 -0.207 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.485 2.371 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.764 2.362 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.936 3.288 0.215 1.00 0.00 H new ATOM 628 N LEU A 44 -3.259 0.590 -3.284 1.00 0.00 N ATOM 629 CA LEU A 44 -3.771 -0.289 -4.330 1.00 0.00 C ATOM 630 C LEU A 44 -2.757 -0.442 -5.459 1.00 0.00 C ATOM 631 O LEU A 44 -2.393 -1.556 -5.834 1.00 0.00 O ATOM 632 CB LEU A 44 -5.088 0.257 -4.883 1.00 0.00 C ATOM 633 CG LEU A 44 -6.309 0.112 -3.974 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.395 1.099 -4.376 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.839 -1.314 -4.014 1.00 0.00 C ATOM 0 H LEU A 44 -3.521 1.570 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.948 -1.271 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.953 1.314 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.300 -0.247 -5.826 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.005 0.336 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.256 0.981 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.011 2.116 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.697 0.908 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.708 -1.398 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.126 -1.567 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.063 -2.000 -3.675 1.00 0.00 H new ATOM 647 N ASP A 45 -2.301 0.685 -5.994 1.00 0.00 N ATOM 648 CA ASP A 45 -1.326 0.678 -7.078 1.00 0.00 C ATOM 649 C ASP A 45 -0.048 -0.039 -6.654 1.00 0.00 C ATOM 650 O ASP A 45 0.590 -0.720 -7.458 1.00 0.00 O ATOM 651 CB ASP A 45 -1.002 2.109 -7.511 1.00 0.00 C ATOM 652 CG ASP A 45 -2.129 2.744 -8.302 1.00 0.00 C ATOM 653 OD1 ASP A 45 -3.289 2.667 -7.846 1.00 0.00 O ATOM 654 OD2 ASP A 45 -1.851 3.316 -9.376 1.00 0.00 O ATOM 0 H ASP A 45 -2.591 1.616 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.761 0.141 -7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.795 2.714 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.095 2.106 -8.115 1.00 0.00 H new ATOM 659 N LEU A 46 0.320 0.118 -5.387 1.00 0.00 N ATOM 660 CA LEU A 46 1.524 -0.514 -4.856 1.00 0.00 C ATOM 661 C LEU A 46 1.475 -2.026 -5.051 1.00 0.00 C ATOM 662 O LEU A 46 2.447 -2.635 -5.499 1.00 0.00 O ATOM 663 CB LEU A 46 1.683 -0.185 -3.370 1.00 0.00 C ATOM 664 CG LEU A 46 2.656 -1.067 -2.588 1.00 0.00 C ATOM 665 CD1 LEU A 46 3.983 -1.179 -3.322 1.00 0.00 C ATOM 666 CD2 LEU A 46 2.864 -0.517 -1.185 1.00 0.00 C ATOM 0 H LEU A 46 -0.197 0.677 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 46 2.382 -0.123 -5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.011 0.851 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.703 -0.251 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 46 2.226 -2.065 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.663 -1.811 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.819 -1.620 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.420 -0.187 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.560 -1.157 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.272 0.492 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.910 -0.491 -0.659 1.00 0.00 H new ATOM 678 N ILE A 47 0.338 -2.625 -4.713 1.00 0.00 N ATOM 679 CA ILE A 47 0.162 -4.065 -4.854 1.00 0.00 C ATOM 680 C ILE A 47 0.175 -4.479 -6.322 1.00 0.00 C ATOM 681 O ILE A 47 0.941 -5.354 -6.724 1.00 0.00 O ATOM 682 CB ILE A 47 -1.155 -4.537 -4.211 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.184 -4.165 -2.726 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.322 -6.039 -4.390 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.582 -4.030 -2.165 1.00 0.00 C ATOM 0 H ILE A 47 -0.475 -2.135 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 47 0.998 -4.537 -4.338 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.986 -4.037 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.645 -4.924 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.652 -3.224 -2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.257 -6.358 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.339 -6.279 -5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.489 -6.557 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.526 -3.765 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.118 -3.251 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.111 -4.977 -2.274 1.00 0.00 H new ATOM 697 N ASP A 48 -0.678 -3.842 -7.117 1.00 0.00 N ATOM 698 CA ASP A 48 -0.764 -4.142 -8.542 1.00 0.00 C ATOM 699 C ASP A 48 0.622 -4.150 -9.181 1.00 0.00 C ATOM 700 O ASP A 48 0.990 -5.094 -9.879 1.00 0.00 O ATOM 701 CB ASP A 48 -1.658 -3.121 -9.247 1.00 0.00 C ATOM 702 CG ASP A 48 -1.878 -3.456 -10.709 1.00 0.00 C ATOM 703 OD1 ASP A 48 -2.008 -4.656 -11.031 1.00 0.00 O ATOM 704 OD2 ASP A 48 -1.920 -2.517 -11.532 1.00 0.00 O ATOM 0 H ASP A 48 -1.319 -3.115 -6.799 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.201 -5.134 -8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.621 -3.074 -8.739 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.207 -2.132 -9.168 1.00 0.00 H new ATOM 709 N ALA A 49 1.385 -3.089 -8.936 1.00 0.00 N ATOM 710 CA ALA A 49 2.731 -2.974 -9.486 1.00 0.00 C ATOM 711 C ALA A 49 3.466 -4.308 -9.423 1.00 0.00 C ATOM 712 O ALA A 49 4.114 -4.716 -10.387 1.00 0.00 O ATOM 713 CB ALA A 49 3.514 -1.902 -8.743 1.00 0.00 C ATOM 0 H ALA A 49 1.095 -2.298 -8.361 1.00 0.00 H new ATOM 0 HA ALA A 49 2.645 -2.686 -10.534 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.517 -1.827 -9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.005 -0.944 -8.844 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.582 -2.167 -7.688 1.00 0.00 H new ATOM 719 N ILE A 50 3.361 -4.982 -8.283 1.00 0.00 N ATOM 720 CA ILE A 50 4.017 -6.270 -8.096 1.00 0.00 C ATOM 721 C ILE A 50 3.305 -7.368 -8.879 1.00 0.00 C ATOM 722 O ILE A 50 3.894 -7.998 -9.758 1.00 0.00 O ATOM 723 CB ILE A 50 4.065 -6.666 -6.608 1.00 0.00 C ATOM 724 CG1 ILE A 50 4.696 -5.545 -5.780 1.00 0.00 C ATOM 725 CG2 ILE A 50 4.840 -7.964 -6.430 1.00 0.00 C ATOM 726 CD1 ILE A 50 4.643 -5.792 -4.288 1.00 0.00 C ATOM 0 H ILE A 50 2.828 -4.658 -7.476 1.00 0.00 H new ATOM 0 HA ILE A 50 5.036 -6.163 -8.469 1.00 0.00 H new ATOM 0 HB ILE A 50 3.046 -6.823 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.736 -5.422 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.186 -4.608 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.865 -8.231 -5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.352 -8.759 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.858 -7.833 -6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.108 -4.957 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.604 -5.885 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.178 -6.712 -4.052 1.00 0.00 H new ATOM 738 N GLN A 51 2.036 -7.590 -8.556 1.00 0.00 N ATOM 739 CA GLN A 51 1.243 -8.612 -9.230 1.00 0.00 C ATOM 740 C GLN A 51 0.154 -7.977 -10.089 1.00 0.00 C ATOM 741 O GLN A 51 -0.922 -7.623 -9.607 1.00 0.00 O ATOM 742 CB GLN A 51 0.616 -9.560 -8.207 1.00 0.00 C ATOM 743 CG GLN A 51 -0.100 -10.745 -8.834 1.00 0.00 C ATOM 744 CD GLN A 51 0.852 -11.852 -9.244 1.00 0.00 C ATOM 745 OE1 GLN A 51 1.033 -12.123 -10.432 1.00 0.00 O ATOM 746 NE2 GLN A 51 1.466 -12.498 -8.261 1.00 0.00 N ATOM 0 H GLN A 51 1.534 -7.076 -7.832 1.00 0.00 H new ATOM 0 HA GLN A 51 1.907 -9.181 -9.880 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.396 -9.929 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.091 -9.002 -7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.828 -11.141 -8.126 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.657 -10.407 -9.708 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.286 -12.240 -7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.118 -13.253 -8.476 1.00 0.00 H new ATOM 755 N PRO A 52 0.437 -7.829 -11.391 1.00 0.00 N ATOM 756 CA PRO A 52 -0.506 -7.236 -12.344 1.00 0.00 C ATOM 757 C PRO A 52 -1.708 -8.138 -12.607 1.00 0.00 C ATOM 758 O PRO A 52 -1.558 -9.341 -12.822 1.00 0.00 O ATOM 759 CB PRO A 52 0.329 -7.074 -13.616 1.00 0.00 C ATOM 760 CG PRO A 52 1.398 -8.106 -13.502 1.00 0.00 C ATOM 761 CD PRO A 52 1.700 -8.229 -12.035 1.00 0.00 C ATOM 0 HA PRO A 52 -0.927 -6.302 -11.973 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.276 -7.228 -14.509 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.752 -6.072 -13.687 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.066 -9.059 -13.913 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.287 -7.811 -14.060 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.983 -9.247 -11.767 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.525 -7.581 -11.739 1.00 0.00 H new ATOM 769 N GLY A 53 -2.900 -7.549 -12.589 1.00 0.00 N ATOM 770 CA GLY A 53 -4.109 -8.314 -12.828 1.00 0.00 C ATOM 771 C GLY A 53 -5.030 -8.333 -11.624 1.00 0.00 C ATOM 772 O GLY A 53 -6.243 -8.491 -11.765 1.00 0.00 O ATOM 0 H GLY A 53 -3.049 -6.555 -12.413 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.640 -7.892 -13.681 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.842 -9.337 -13.093 1.00 0.00 H new ATOM 776 N SER A 54 -4.454 -8.172 -10.437 1.00 0.00 N ATOM 777 CA SER A 54 -5.231 -8.176 -9.204 1.00 0.00 C ATOM 778 C SER A 54 -6.129 -6.945 -9.122 1.00 0.00 C ATOM 779 O SER A 54 -7.355 -7.055 -9.132 1.00 0.00 O ATOM 780 CB SER A 54 -4.301 -8.225 -7.990 1.00 0.00 C ATOM 781 OG SER A 54 -3.428 -9.338 -8.061 1.00 0.00 O ATOM 0 H SER A 54 -3.452 -8.037 -10.304 1.00 0.00 H new ATOM 0 HA SER A 54 -5.862 -9.065 -9.205 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.719 -7.305 -7.937 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.893 -8.281 -7.077 1.00 0.00 H new ATOM 0 HG SER A 54 -2.843 -9.346 -7.275 1.00 0.00 H new ATOM 787 N ILE A 55 -5.508 -5.773 -9.043 1.00 0.00 N ATOM 788 CA ILE A 55 -6.249 -4.520 -8.961 1.00 0.00 C ATOM 789 C ILE A 55 -6.902 -4.180 -10.296 1.00 0.00 C ATOM 790 O ILE A 55 -6.303 -4.363 -11.356 1.00 0.00 O ATOM 791 CB ILE A 55 -5.339 -3.354 -8.535 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.556 -3.724 -7.274 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.162 -2.096 -8.303 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.433 -3.968 -6.067 1.00 0.00 C ATOM 0 H ILE A 55 -4.494 -5.665 -9.034 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.023 -4.660 -8.206 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.628 -3.156 -9.337 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.967 -4.620 -7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.852 -2.924 -7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.504 -1.281 -8.002 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.679 -1.824 -9.223 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.894 -2.280 -7.517 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.810 -4.226 -5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.003 -3.066 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.119 -4.788 -6.276 1.00 0.00 H new ATOM 806 N ASN A 56 -8.132 -3.681 -10.237 1.00 0.00 N ATOM 807 CA ASN A 56 -8.867 -3.313 -11.442 1.00 0.00 C ATOM 808 C ASN A 56 -9.543 -1.956 -11.275 1.00 0.00 C ATOM 809 O ASN A 56 -10.562 -1.839 -10.592 1.00 0.00 O ATOM 810 CB ASN A 56 -9.913 -4.379 -11.773 1.00 0.00 C ATOM 811 CG ASN A 56 -10.210 -4.456 -13.259 1.00 0.00 C ATOM 812 OD1 ASN A 56 -9.334 -4.224 -14.092 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.451 -4.783 -13.597 1.00 0.00 N ATOM 0 H ASN A 56 -8.641 -3.522 -9.368 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.155 -3.245 -12.264 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.561 -5.350 -11.425 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.834 -4.161 -11.232 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.711 -4.850 -14.581 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.145 -4.967 -12.873 1.00 0.00 H new ATOM 820 N TYR A 57 -8.970 -0.934 -11.900 1.00 0.00 N ATOM 821 CA TYR A 57 -9.516 0.416 -11.818 1.00 0.00 C ATOM 822 C TYR A 57 -11.008 0.420 -12.141 1.00 0.00 C ATOM 823 O TYR A 57 -11.785 1.152 -11.527 1.00 0.00 O ATOM 824 CB TYR A 57 -8.773 1.348 -12.775 1.00 0.00 C ATOM 825 CG TYR A 57 -7.573 2.026 -12.152 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.746 1.342 -11.270 1.00 0.00 C ATOM 827 CD2 TYR A 57 -7.268 3.349 -12.445 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.649 1.957 -10.697 1.00 0.00 C ATOM 829 CE2 TYR A 57 -6.173 3.970 -11.877 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.367 3.271 -11.004 1.00 0.00 C ATOM 831 OH TYR A 57 -4.275 3.888 -10.436 1.00 0.00 O ATOM 0 H TYR A 57 -8.127 -1.014 -12.469 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.382 0.774 -10.797 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.446 0.777 -13.644 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.464 2.110 -13.136 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.964 0.312 -11.028 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.897 3.901 -13.128 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.016 1.411 -10.013 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.949 4.999 -12.116 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.538 3.246 -10.362 1.00 0.00 H new ATOM 841 N ASP A 58 -11.399 -0.401 -13.109 1.00 0.00 N ATOM 842 CA ASP A 58 -12.797 -0.495 -13.513 1.00 0.00 C ATOM 843 C ASP A 58 -13.708 -0.614 -12.296 1.00 0.00 C ATOM 844 O ASP A 58 -14.818 -0.078 -12.282 1.00 0.00 O ATOM 845 CB ASP A 58 -13.003 -1.694 -14.440 1.00 0.00 C ATOM 846 CG ASP A 58 -14.127 -1.473 -15.432 1.00 0.00 C ATOM 847 OD1 ASP A 58 -13.978 -0.598 -16.311 1.00 0.00 O ATOM 848 OD2 ASP A 58 -15.155 -2.174 -15.330 1.00 0.00 O ATOM 0 H ASP A 58 -10.768 -1.011 -13.629 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.056 0.418 -14.050 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.078 -1.894 -14.982 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.219 -2.579 -13.842 1.00 0.00 H new ATOM 853 N LEU A 59 -13.235 -1.322 -11.276 1.00 0.00 N ATOM 854 CA LEU A 59 -14.007 -1.513 -10.054 1.00 0.00 C ATOM 855 C LEU A 59 -13.746 -0.385 -9.062 1.00 0.00 C ATOM 856 O LEU A 59 -14.648 0.043 -8.339 1.00 0.00 O ATOM 857 CB LEU A 59 -13.663 -2.859 -9.414 1.00 0.00 C ATOM 858 CG LEU A 59 -13.576 -4.052 -10.367 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.191 -5.313 -9.610 1.00 0.00 C ATOM 860 CD2 LEU A 59 -14.896 -4.248 -11.098 1.00 0.00 C ATOM 0 H LEU A 59 -12.320 -1.773 -11.271 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.065 -1.503 -10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.707 -2.760 -8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.413 -3.080 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.802 -3.846 -11.106 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.134 -6.151 -10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.221 -5.170 -9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -13.942 -5.523 -8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.816 -5.101 -11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.689 -4.431 -10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.130 -3.352 -11.673 1.00 0.00 H new ATOM 872 N LEU A 60 -12.508 0.096 -9.033 1.00 0.00 N ATOM 873 CA LEU A 60 -12.127 1.178 -8.132 1.00 0.00 C ATOM 874 C LEU A 60 -12.918 2.446 -8.438 1.00 0.00 C ATOM 875 O LEU A 60 -13.499 2.583 -9.515 1.00 0.00 O ATOM 876 CB LEU A 60 -10.627 1.459 -8.244 1.00 0.00 C ATOM 877 CG LEU A 60 -9.710 0.236 -8.198 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.257 0.653 -8.362 1.00 0.00 C ATOM 879 CD2 LEU A 60 -9.904 -0.527 -6.895 1.00 0.00 C ATOM 0 H LEU A 60 -11.750 -0.247 -9.624 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.356 0.866 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.446 1.989 -9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.342 2.132 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.973 -0.424 -9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.619 -0.230 -8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.129 1.155 -9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.980 1.333 -7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.244 -1.394 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.668 0.124 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.940 -0.858 -6.818 1.00 0.00 H new ATOM 891 N LYS A 61 -12.933 3.372 -7.485 1.00 0.00 N ATOM 892 CA LYS A 61 -13.650 4.631 -7.652 1.00 0.00 C ATOM 893 C LYS A 61 -12.679 5.776 -7.930 1.00 0.00 C ATOM 894 O LYS A 61 -12.747 6.420 -8.977 1.00 0.00 O ATOM 895 CB LYS A 61 -14.477 4.941 -6.404 1.00 0.00 C ATOM 896 CG LYS A 61 -15.853 4.299 -6.410 1.00 0.00 C ATOM 897 CD LYS A 61 -15.785 2.831 -6.025 1.00 0.00 C ATOM 898 CE LYS A 61 -17.158 2.177 -6.075 1.00 0.00 C ATOM 899 NZ LYS A 61 -17.459 1.624 -7.424 1.00 0.00 N ATOM 0 H LYS A 61 -12.457 3.274 -6.588 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.319 4.529 -8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.931 4.602 -5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.590 6.021 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.505 4.828 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.296 4.396 -7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.107 2.308 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.372 2.736 -5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.207 1.378 -5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.919 2.909 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.259 0.963 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.704 2.401 -8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.624 1.122 -7.787 1.00 0.00 H new ATOM 913 N THR A 62 -11.777 6.022 -6.987 1.00 0.00 N ATOM 914 CA THR A 62 -10.792 7.087 -7.130 1.00 0.00 C ATOM 915 C THR A 62 -11.433 8.356 -7.682 1.00 0.00 C ATOM 916 O THR A 62 -10.771 9.163 -8.333 1.00 0.00 O ATOM 917 CB THR A 62 -9.637 6.664 -8.057 1.00 0.00 C ATOM 918 OG1 THR A 62 -8.651 7.700 -8.114 1.00 0.00 O ATOM 919 CG2 THR A 62 -10.149 6.367 -9.458 1.00 0.00 C ATOM 0 H THR A 62 -11.708 5.498 -6.115 1.00 0.00 H new ATOM 0 HA THR A 62 -10.394 7.286 -6.135 1.00 0.00 H new ATOM 0 HB THR A 62 -9.188 5.757 -7.652 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.095 8.573 -8.149 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.315 6.070 -10.095 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.878 5.558 -9.415 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.621 7.259 -9.870 1.00 0.00 H new ATOM 927 N GLU A 63 -12.724 8.525 -7.415 1.00 0.00 N ATOM 928 CA GLU A 63 -13.454 9.697 -7.885 1.00 0.00 C ATOM 929 C GLU A 63 -14.399 10.219 -6.807 1.00 0.00 C ATOM 930 O GLU A 63 -15.353 9.543 -6.425 1.00 0.00 O ATOM 931 CB GLU A 63 -14.242 9.360 -9.152 1.00 0.00 C ATOM 932 CG GLU A 63 -15.362 8.359 -8.924 1.00 0.00 C ATOM 933 CD GLU A 63 -15.687 7.554 -10.166 1.00 0.00 C ATOM 934 OE1 GLU A 63 -14.746 7.200 -10.908 1.00 0.00 O ATOM 935 OE2 GLU A 63 -16.883 7.275 -10.396 1.00 0.00 O ATOM 0 H GLU A 63 -13.286 7.866 -6.876 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.728 10.477 -8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.664 10.278 -9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.557 8.962 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.079 7.680 -8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.256 8.889 -8.595 1.00 0.00 H new ATOM 942 N ASN A 64 -14.126 11.425 -6.322 1.00 0.00 N ATOM 943 CA ASN A 64 -14.951 12.038 -5.288 1.00 0.00 C ATOM 944 C ASN A 64 -15.423 10.995 -4.279 1.00 0.00 C ATOM 945 O ASN A 64 -16.602 10.944 -3.926 1.00 0.00 O ATOM 946 CB ASN A 64 -16.159 12.737 -5.917 1.00 0.00 C ATOM 947 CG ASN A 64 -15.805 13.452 -7.206 1.00 0.00 C ATOM 948 OD1 ASN A 64 -15.451 14.631 -7.199 1.00 0.00 O ATOM 949 ND2 ASN A 64 -15.901 12.740 -8.323 1.00 0.00 N ATOM 0 H ASN A 64 -13.339 11.998 -6.628 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.344 12.776 -4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.939 12.002 -6.115 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -16.570 13.455 -5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.677 13.168 -9.221 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.199 11.765 -8.282 1.00 0.00 H new ATOM 956 N LEU A 65 -14.494 10.165 -3.817 1.00 0.00 N ATOM 957 CA LEU A 65 -14.812 9.122 -2.848 1.00 0.00 C ATOM 958 C LEU A 65 -15.336 9.728 -1.550 1.00 0.00 C ATOM 959 O LEU A 65 -15.007 10.862 -1.205 1.00 0.00 O ATOM 960 CB LEU A 65 -13.576 8.267 -2.563 1.00 0.00 C ATOM 961 CG LEU A 65 -13.176 7.280 -3.661 1.00 0.00 C ATOM 962 CD1 LEU A 65 -11.671 7.064 -3.661 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.908 5.958 -3.480 1.00 0.00 C ATOM 0 H LEU A 65 -13.514 10.194 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 65 -15.591 8.490 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.733 8.933 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.750 7.707 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.461 7.701 -4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.405 6.359 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.167 8.014 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.361 6.664 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.612 5.267 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.654 5.531 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.984 6.128 -3.531 1.00 0.00 H new ATOM 975 N ASN A 66 -16.151 8.962 -0.832 1.00 0.00 N ATOM 976 CA ASN A 66 -16.719 9.422 0.430 1.00 0.00 C ATOM 977 C ASN A 66 -16.451 8.417 1.546 1.00 0.00 C ATOM 978 O ASN A 66 -16.067 7.276 1.289 1.00 0.00 O ATOM 979 CB ASN A 66 -18.225 9.649 0.283 1.00 0.00 C ATOM 980 CG ASN A 66 -18.858 8.700 -0.716 1.00 0.00 C ATOM 981 OD1 ASN A 66 -18.754 8.896 -1.927 1.00 0.00 O ATOM 982 ND2 ASN A 66 -19.518 7.664 -0.211 1.00 0.00 N ATOM 0 H ASN A 66 -16.433 8.020 -1.103 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.240 10.365 0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.705 9.524 1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -18.406 10.677 -0.032 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.965 6.991 -0.834 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.578 7.541 0.800 1.00 0.00 H new ATOM 989 N ASP A 67 -16.657 8.849 2.786 1.00 0.00 N ATOM 990 CA ASP A 67 -16.439 7.986 3.942 1.00 0.00 C ATOM 991 C ASP A 67 -16.806 6.542 3.618 1.00 0.00 C ATOM 992 O ASP A 67 -16.129 5.607 4.048 1.00 0.00 O ATOM 993 CB ASP A 67 -17.260 8.480 5.134 1.00 0.00 C ATOM 994 CG ASP A 67 -16.899 7.763 6.421 1.00 0.00 C ATOM 995 OD1 ASP A 67 -15.702 7.753 6.779 1.00 0.00 O ATOM 996 OD2 ASP A 67 -17.813 7.215 7.070 1.00 0.00 O ATOM 0 H ASP A 67 -16.974 9.791 3.016 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.380 8.023 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -17.103 9.551 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -18.320 8.336 4.926 1.00 0.00 H new ATOM 1001 N ASP A 68 -17.882 6.365 2.859 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.340 5.034 2.478 1.00 0.00 C ATOM 1003 C ASP A 68 -17.411 4.418 1.438 1.00 0.00 C ATOM 1004 O ASP A 68 -16.674 3.476 1.730 1.00 0.00 O ATOM 1005 CB ASP A 68 -19.767 5.100 1.932 1.00 0.00 C ATOM 1006 CG ASP A 68 -20.478 3.762 2.009 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -20.095 2.934 2.862 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -21.417 3.544 1.216 1.00 0.00 O ATOM 0 H ASP A 68 -18.454 7.127 2.495 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.329 4.403 3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.334 5.843 2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.741 5.436 0.895 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.453 4.954 0.222 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.616 4.454 -0.863 1.00 0.00 C ATOM 1015 C GLU A 69 -15.176 4.263 -0.395 1.00 0.00 C ATOM 1016 O GLU A 69 -14.606 3.181 -0.532 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.654 5.417 -2.051 1.00 0.00 C ATOM 1018 CG GLU A 69 -18.059 5.836 -2.452 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.176 6.141 -3.933 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -17.685 7.206 -4.361 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.759 5.312 -4.663 1.00 0.00 O ATOM 0 H GLU A 69 -18.057 5.734 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.010 3.487 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -16.075 6.307 -1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.167 4.946 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.759 5.042 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -18.349 6.717 -1.879 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.594 5.321 0.158 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.222 5.272 0.648 1.00 0.00 C ATOM 1030 C LYS A 70 -12.920 3.918 1.286 1.00 0.00 C ATOM 1031 O LYS A 70 -11.946 3.256 0.928 1.00 0.00 O ATOM 1032 CB LYS A 70 -12.980 6.391 1.663 1.00 0.00 C ATOM 1033 CG LYS A 70 -13.017 7.782 1.055 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.103 8.740 1.799 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.811 9.985 0.976 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.206 11.067 1.801 1.00 0.00 N ATOM 0 H LYS A 70 -15.052 6.224 0.278 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.554 5.411 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.733 6.327 2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.011 6.237 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.717 7.731 0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.038 8.162 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.566 9.027 2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.168 8.236 2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.135 9.730 0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.735 10.346 0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.022 11.898 1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.861 11.328 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.311 10.731 2.212 1.00 0.00 H new ATOM 1050 N LEU A 71 -13.763 3.514 2.229 1.00 0.00 N ATOM 1051 CA LEU A 71 -13.587 2.238 2.915 1.00 0.00 C ATOM 1052 C LEU A 71 -13.471 1.093 1.915 1.00 0.00 C ATOM 1053 O LEU A 71 -12.505 0.333 1.936 1.00 0.00 O ATOM 1054 CB LEU A 71 -14.758 1.984 3.867 1.00 0.00 C ATOM 1055 CG LEU A 71 -14.893 0.555 4.397 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -13.685 0.184 5.244 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -16.177 0.404 5.199 1.00 0.00 C ATOM 0 H LEU A 71 -14.574 4.050 2.536 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.662 2.287 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.662 2.658 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.682 2.249 3.353 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.937 -0.126 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.798 -0.836 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.781 0.253 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.609 0.869 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.257 -0.618 5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -16.163 1.095 6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.033 0.628 4.562 1.00 0.00 H new ATOM 1069 N ASN A 72 -14.463 0.978 1.037 1.00 0.00 N ATOM 1070 CA ASN A 72 -14.471 -0.074 0.027 1.00 0.00 C ATOM 1071 C ASN A 72 -13.117 -0.170 -0.670 1.00 0.00 C ATOM 1072 O ASN A 72 -12.600 -1.263 -0.895 1.00 0.00 O ATOM 1073 CB ASN A 72 -15.570 0.190 -1.004 1.00 0.00 C ATOM 1074 CG ASN A 72 -16.959 0.133 -0.396 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -17.423 1.264 0.124 1.00 0.00 O flip ATOM 1076 ND2 ASN A 72 -17.606 -0.913 -0.395 1.00 0.00 N flip ATOM 0 H ASN A 72 -15.271 1.600 1.005 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.670 -1.022 0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.414 1.170 -1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.497 -0.545 -1.806 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.210 -1.758 -0.806 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -18.539 -0.935 0.017 1.00 0.00 H new ATOM 1083 N ASN A 73 -12.549 0.984 -1.007 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.254 1.030 -1.678 1.00 0.00 C ATOM 1085 C ASN A 73 -10.168 0.407 -0.807 1.00 0.00 C ATOM 1086 O ASN A 73 -9.380 -0.415 -1.274 1.00 0.00 O ATOM 1087 CB ASN A 73 -10.885 2.474 -2.018 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.519 2.944 -3.314 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.455 2.325 -3.819 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.011 4.044 -3.856 1.00 0.00 N ATOM 0 H ASN A 73 -12.964 1.898 -0.827 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.329 0.454 -2.600 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.200 3.128 -1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.801 2.561 -2.095 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.397 4.409 -4.727 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.234 4.525 -3.402 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.133 0.803 0.461 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.145 0.282 1.398 1.00 0.00 C ATOM 1099 C ALA A 74 -9.237 -1.237 1.503 1.00 0.00 C ATOM 1100 O ALA A 74 -8.225 -1.936 1.439 1.00 0.00 O ATOM 1101 CB ALA A 74 -9.329 0.919 2.767 1.00 0.00 C ATOM 0 H ALA A 74 -10.778 1.483 0.863 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.154 0.535 1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.585 0.521 3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.207 1.999 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.328 0.694 3.142 1.00 0.00 H new ATOM 1107 N LYS A 75 -10.456 -1.742 1.666 1.00 0.00 N ATOM 1108 CA LYS A 75 -10.680 -3.178 1.779 1.00 0.00 C ATOM 1109 C LYS A 75 -10.111 -3.915 0.571 1.00 0.00 C ATOM 1110 O LYS A 75 -9.436 -4.935 0.715 1.00 0.00 O ATOM 1111 CB LYS A 75 -12.176 -3.473 1.912 1.00 0.00 C ATOM 1112 CG LYS A 75 -12.762 -3.053 3.249 1.00 0.00 C ATOM 1113 CD LYS A 75 -14.223 -2.658 3.117 1.00 0.00 C ATOM 1114 CE LYS A 75 -15.135 -3.875 3.137 1.00 0.00 C ATOM 1115 NZ LYS A 75 -14.952 -4.684 4.374 1.00 0.00 N ATOM 0 H LYS A 75 -11.304 -1.177 1.723 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.165 -3.531 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.711 -2.960 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.341 -4.541 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.668 -3.872 3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.192 -2.215 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.494 -1.986 3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.369 -2.108 2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.174 -3.552 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.932 -4.495 2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.814 -5.235 4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.148 -5.331 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.766 -4.051 5.178 1.00 0.00 H new ATOM 1129 N TYR A 76 -10.387 -3.393 -0.618 1.00 0.00 N ATOM 1130 CA TYR A 76 -9.903 -4.002 -1.852 1.00 0.00 C ATOM 1131 C TYR A 76 -8.378 -4.035 -1.881 1.00 0.00 C ATOM 1132 O TYR A 76 -7.775 -4.983 -2.386 1.00 0.00 O ATOM 1133 CB TYR A 76 -10.430 -3.235 -3.065 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.457 -4.056 -4.335 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -11.166 -5.249 -4.399 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.773 -3.639 -5.470 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -11.194 -6.003 -5.557 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -9.796 -4.385 -6.632 1.00 0.00 C ATOM 1139 CZ TYR A 76 -10.507 -5.567 -6.671 1.00 0.00 C ATOM 1140 OH TYR A 76 -10.531 -6.313 -7.826 1.00 0.00 O ATOM 0 H TYR A 76 -10.944 -2.549 -0.754 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.272 -5.027 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.438 -2.880 -2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.809 -2.354 -3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.705 -5.593 -3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.214 -2.716 -5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.750 -6.928 -5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.260 -4.045 -7.506 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.998 -5.865 -8.516 1.00 0.00 H new ATOM 1150 N ALA A 77 -7.759 -2.994 -1.335 1.00 0.00 N ATOM 1151 CA ALA A 77 -6.304 -2.904 -1.294 1.00 0.00 C ATOM 1152 C ALA A 77 -5.713 -3.971 -0.379 1.00 0.00 C ATOM 1153 O ALA A 77 -4.893 -4.783 -0.808 1.00 0.00 O ATOM 1154 CB ALA A 77 -5.873 -1.517 -0.839 1.00 0.00 C ATOM 0 H ALA A 77 -8.242 -2.200 -0.914 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.926 -3.077 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.785 -1.464 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.256 -0.770 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.269 -1.321 0.157 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.133 -3.961 0.881 1.00 0.00 N ATOM 1161 CA ILE A 78 -5.645 -4.929 1.855 1.00 0.00 C ATOM 1162 C ILE A 78 -5.992 -6.354 1.437 1.00 0.00 C ATOM 1163 O ILE A 78 -5.183 -7.269 1.583 1.00 0.00 O ATOM 1164 CB ILE A 78 -6.227 -4.660 3.256 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -5.809 -3.273 3.748 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -5.773 -5.734 4.233 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -6.599 -2.795 4.947 1.00 0.00 C ATOM 0 H ILE A 78 -6.810 -3.294 1.251 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.561 -4.819 1.893 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.315 -4.690 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.750 -3.291 4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.928 -2.557 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.192 -5.530 5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.116 -6.709 3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.685 -5.733 4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.250 -1.805 5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.657 -2.745 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.460 -3.490 5.775 1.00 0.00 H new ATOM 1179 N SER A 79 -7.202 -6.533 0.915 1.00 0.00 N ATOM 1180 CA SER A 79 -7.657 -7.847 0.477 1.00 0.00 C ATOM 1181 C SER A 79 -6.618 -8.511 -0.421 1.00 0.00 C ATOM 1182 O SER A 79 -6.061 -9.553 -0.077 1.00 0.00 O ATOM 1183 CB SER A 79 -8.989 -7.726 -0.267 1.00 0.00 C ATOM 1184 OG SER A 79 -9.590 -8.997 -0.446 1.00 0.00 O ATOM 0 H SER A 79 -7.884 -5.785 0.785 1.00 0.00 H new ATOM 0 HA SER A 79 -7.797 -8.469 1.361 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.663 -7.077 0.291 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.826 -7.257 -1.237 1.00 0.00 H new ATOM 0 HG SER A 79 -10.440 -8.893 -0.922 1.00 0.00 H new ATOM 1190 N MET A 80 -6.365 -7.900 -1.573 1.00 0.00 N ATOM 1191 CA MET A 80 -5.392 -8.432 -2.521 1.00 0.00 C ATOM 1192 C MET A 80 -4.108 -8.844 -1.808 1.00 0.00 C ATOM 1193 O MET A 80 -3.537 -9.895 -2.096 1.00 0.00 O ATOM 1194 CB MET A 80 -5.079 -7.392 -3.599 1.00 0.00 C ATOM 1195 CG MET A 80 -5.994 -7.479 -4.810 1.00 0.00 C ATOM 1196 SD MET A 80 -7.740 -7.395 -4.368 1.00 0.00 S ATOM 1197 CE MET A 80 -8.419 -8.665 -5.433 1.00 0.00 C ATOM 0 H MET A 80 -6.819 -7.037 -1.873 1.00 0.00 H new ATOM 0 HA MET A 80 -5.825 -9.315 -2.992 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.158 -6.395 -3.165 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.046 -7.517 -3.924 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.758 -6.667 -5.498 1.00 0.00 H new ATOM 0 HG3 MET A 80 -5.802 -8.412 -5.340 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.495 -8.735 -5.276 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.220 -8.411 -6.474 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.955 -9.623 -5.198 1.00 0.00 H new ATOM 1207 N ALA A 81 -3.659 -8.009 -0.876 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.444 -8.289 -0.122 1.00 0.00 C ATOM 1209 C ALA A 81 -2.416 -9.736 0.358 1.00 0.00 C ATOM 1210 O ALA A 81 -1.427 -10.445 0.167 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.324 -7.337 1.059 1.00 0.00 C ATOM 0 H ALA A 81 -4.119 -7.134 -0.626 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.592 -8.137 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.412 -7.558 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.288 -6.310 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.186 -7.460 1.715 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.507 -10.169 0.982 1.00 0.00 N ATOM 1218 CA ARG A 82 -3.606 -11.532 1.491 1.00 0.00 C ATOM 1219 C ARG A 82 -3.732 -12.531 0.345 1.00 0.00 C ATOM 1220 O ARG A 82 -3.102 -13.589 0.357 1.00 0.00 O ATOM 1221 CB ARG A 82 -4.806 -11.661 2.429 1.00 0.00 C ATOM 1222 CG ARG A 82 -4.713 -12.845 3.379 1.00 0.00 C ATOM 1223 CD ARG A 82 -6.025 -13.079 4.111 1.00 0.00 C ATOM 1224 NE ARG A 82 -7.121 -13.369 3.188 1.00 0.00 N ATOM 1225 CZ ARG A 82 -8.261 -13.938 3.560 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -8.456 -14.276 4.828 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -9.211 -14.170 2.663 1.00 0.00 N ATOM 0 H ARG A 82 -4.334 -9.596 1.147 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.694 -11.755 2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.901 -10.745 3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.714 -11.755 1.833 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.443 -13.741 2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.918 -12.670 4.103 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.909 -13.909 4.808 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.273 -12.198 4.703 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.003 -13.121 2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.729 -14.099 5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.333 -14.713 5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.065 -13.911 1.687 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.087 -14.607 2.949 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.552 -12.190 -0.644 1.00 0.00 N ATOM 1242 CA LYS A 83 -4.762 -13.057 -1.798 1.00 0.00 C ATOM 1243 C LYS A 83 -3.434 -13.592 -2.324 1.00 0.00 C ATOM 1244 O LYS A 83 -3.255 -14.802 -2.467 1.00 0.00 O ATOM 1245 CB LYS A 83 -5.493 -12.296 -2.907 1.00 0.00 C ATOM 1246 CG LYS A 83 -7.005 -12.400 -2.819 1.00 0.00 C ATOM 1247 CD LYS A 83 -7.552 -11.601 -1.649 1.00 0.00 C ATOM 1248 CE LYS A 83 -9.001 -11.962 -1.354 1.00 0.00 C ATOM 1249 NZ LYS A 83 -9.124 -13.336 -0.791 1.00 0.00 N ATOM 0 H LYS A 83 -5.082 -11.319 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.374 -13.901 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.206 -11.245 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.166 -12.677 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.450 -12.040 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.293 -13.446 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.943 -11.786 -0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.479 -10.536 -1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.419 -11.242 -0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.587 -11.890 -2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.034 -13.428 -0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.076 -14.033 -1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.347 -13.507 -0.121 1.00 0.00 H new ATOM 1263 N ILE A 84 -2.507 -12.685 -2.611 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.195 -13.067 -3.119 1.00 0.00 C ATOM 1265 C ILE A 84 -0.316 -13.627 -2.006 1.00 0.00 C ATOM 1266 O ILE A 84 0.648 -14.346 -2.265 1.00 0.00 O ATOM 1267 CB ILE A 84 -0.476 -11.873 -3.774 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -0.469 -10.671 -2.827 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -1.141 -11.511 -5.092 1.00 0.00 C ATOM 1270 CD1 ILE A 84 0.445 -9.553 -3.275 1.00 0.00 C ATOM 0 H ILE A 84 -2.640 -11.680 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.360 -13.839 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 84 0.556 -12.158 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.484 -10.285 -2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.164 -11.003 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.621 -10.665 -5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.098 -12.365 -5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.182 -11.243 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.399 -8.735 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.468 -9.923 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.128 -9.194 -4.254 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.658 -13.294 -0.765 1.00 0.00 N ATOM 1283 CA GLY A 85 0.109 -13.775 0.370 1.00 0.00 C ATOM 1284 C GLY A 85 0.606 -12.648 1.253 1.00 0.00 C ATOM 1285 O GLY A 85 1.692 -12.113 1.034 1.00 0.00 O ATOM 0 H GLY A 85 -1.452 -12.700 -0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.508 -14.451 0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.960 -14.353 0.011 1.00 0.00 H new ATOM 1289 N ALA A 86 -0.191 -12.285 2.252 1.00 0.00 N ATOM 1290 CA ALA A 86 0.175 -11.214 3.171 1.00 0.00 C ATOM 1291 C ALA A 86 -0.835 -11.097 4.308 1.00 0.00 C ATOM 1292 O ALA A 86 -1.969 -10.665 4.103 1.00 0.00 O ATOM 1293 CB ALA A 86 0.285 -9.893 2.424 1.00 0.00 C ATOM 0 H ALA A 86 -1.095 -12.717 2.446 1.00 0.00 H new ATOM 0 HA ALA A 86 1.145 -11.457 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.559 -9.102 3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.049 -9.975 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.674 -9.655 1.963 1.00 0.00 H new ATOM 1299 N ARG A 87 -0.415 -11.487 5.508 1.00 0.00 N ATOM 1300 CA ARG A 87 -1.282 -11.429 6.677 1.00 0.00 C ATOM 1301 C ARG A 87 -1.110 -10.106 7.416 1.00 0.00 C ATOM 1302 O ARG A 87 0.006 -9.716 7.763 1.00 0.00 O ATOM 1303 CB ARG A 87 -0.982 -12.595 7.621 1.00 0.00 C ATOM 1304 CG ARG A 87 0.330 -12.448 8.373 1.00 0.00 C ATOM 1305 CD ARG A 87 0.631 -13.678 9.215 1.00 0.00 C ATOM 1306 NE ARG A 87 1.707 -13.436 10.171 1.00 0.00 N ATOM 1307 CZ ARG A 87 1.932 -14.203 11.233 1.00 0.00 C ATOM 1308 NH1 ARG A 87 1.160 -15.255 11.471 1.00 0.00 N ATOM 1309 NH2 ARG A 87 2.932 -13.919 12.058 1.00 0.00 N ATOM 0 H ARG A 87 0.521 -11.847 5.695 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.314 -11.504 6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.795 -12.687 8.341 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.959 -13.521 7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.141 -12.284 7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.286 -11.568 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.269 -13.980 9.751 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.906 -14.506 8.562 1.00 0.00 H new ATOM 0 HE ARG A 87 2.319 -12.635 10.016 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.391 -15.477 10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.335 -15.842 12.287 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.529 -13.112 11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.104 -14.508 12.873 1.00 0.00 H new ATOM 1323 N VAL A 88 -2.222 -9.417 7.656 1.00 0.00 N ATOM 1324 CA VAL A 88 -2.194 -8.138 8.354 1.00 0.00 C ATOM 1325 C VAL A 88 -3.261 -8.081 9.440 1.00 0.00 C ATOM 1326 O VAL A 88 -4.276 -8.775 9.365 1.00 0.00 O ATOM 1327 CB VAL A 88 -2.404 -6.962 7.381 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -3.742 -7.091 6.670 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -2.308 -5.636 8.120 1.00 0.00 C ATOM 0 H VAL A 88 -3.154 -9.724 7.377 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.209 -8.049 8.812 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.616 -6.989 6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.873 -6.252 5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.767 -8.024 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.546 -7.089 7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.459 -4.816 7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.073 -5.595 8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.323 -5.545 8.578 1.00 0.00 H new ATOM 1339 N TYR A 89 -3.028 -7.251 10.450 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.968 -7.104 11.554 1.00 0.00 C ATOM 1341 C TYR A 89 -4.471 -5.667 11.656 1.00 0.00 C ATOM 1342 O TYR A 89 -4.412 -5.052 12.720 1.00 0.00 O ATOM 1343 CB TYR A 89 -3.312 -7.522 12.870 1.00 0.00 C ATOM 1344 CG TYR A 89 -4.285 -8.087 13.881 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -4.959 -7.256 14.766 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -4.528 -9.453 13.950 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -5.848 -7.768 15.690 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -5.417 -9.974 14.871 1.00 0.00 C ATOM 1349 CZ TYR A 89 -6.074 -9.128 15.738 1.00 0.00 C ATOM 1350 OH TYR A 89 -6.959 -9.643 16.658 1.00 0.00 O ATOM 0 H TYR A 89 -2.194 -6.669 10.527 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.821 -7.754 11.359 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.544 -8.267 12.662 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.809 -6.659 13.306 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.785 -6.191 14.731 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.014 -10.119 13.273 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.364 -7.107 16.371 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.596 -11.038 14.911 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.004 -10.617 16.559 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.963 -5.140 10.540 1.00 0.00 N ATOM 1361 CA ALA A 90 -5.478 -3.776 10.503 1.00 0.00 C ATOM 1362 C ALA A 90 -6.766 -3.698 9.691 1.00 0.00 C ATOM 1363 O ALA A 90 -6.983 -4.489 8.772 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.432 -2.833 9.928 1.00 0.00 C ATOM 0 H ALA A 90 -5.016 -5.636 9.650 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.704 -3.471 11.525 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.830 -1.818 9.906 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.537 -2.859 10.550 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.178 -3.145 8.915 1.00 0.00 H new ATOM 1370 N LEU A 91 -7.620 -2.741 10.036 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.889 -2.559 9.340 1.00 0.00 C ATOM 1372 C LEU A 91 -8.761 -1.513 8.238 1.00 0.00 C ATOM 1373 O LEU A 91 -8.142 -0.464 8.414 1.00 0.00 O ATOM 1374 CB LEU A 91 -9.981 -2.144 10.328 1.00 0.00 C ATOM 1375 CG LEU A 91 -11.423 -2.368 9.870 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -11.726 -3.855 9.770 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -12.397 -1.686 10.818 1.00 0.00 C ATOM 0 H LEU A 91 -7.457 -2.078 10.794 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.163 -3.510 8.883 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.828 -2.691 11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.854 -1.086 10.555 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.542 -1.926 8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.756 -3.995 9.443 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.051 -4.316 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.589 -4.321 10.746 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.418 -1.857 10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.277 -2.097 11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.195 -0.615 10.838 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.360 -1.804 7.073 1.00 0.00 N ATOM 1390 CA PRO A 92 -9.329 -0.899 5.920 1.00 0.00 C ATOM 1391 C PRO A 92 -10.161 0.358 6.147 1.00 0.00 C ATOM 1392 O PRO A 92 -9.989 1.360 5.453 1.00 0.00 O ATOM 1393 CB PRO A 92 -9.931 -1.743 4.792 1.00 0.00 C ATOM 1394 CG PRO A 92 -10.792 -2.741 5.484 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.114 -3.036 6.793 1.00 0.00 C ATOM 0 HA PRO A 92 -8.322 -0.538 5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.512 -1.128 4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.153 -2.231 4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.795 -2.346 5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.897 -3.646 4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.837 -3.252 7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.456 -3.902 6.718 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.063 0.298 7.122 1.00 0.00 N ATOM 1404 CA GLU A 93 -11.921 1.433 7.438 1.00 0.00 C ATOM 1405 C GLU A 93 -11.110 2.578 8.038 1.00 0.00 C ATOM 1406 O GLU A 93 -11.412 3.750 7.816 1.00 0.00 O ATOM 1407 CB GLU A 93 -13.024 1.012 8.411 1.00 0.00 C ATOM 1408 CG GLU A 93 -12.630 1.141 9.872 1.00 0.00 C ATOM 1409 CD GLU A 93 -12.526 2.585 10.323 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -13.433 3.376 9.992 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -11.538 2.923 11.009 1.00 0.00 O ATOM 0 H GLU A 93 -11.218 -0.524 7.706 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.377 1.780 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.910 1.620 8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.300 -0.023 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.364 0.623 10.489 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.673 0.645 10.031 1.00 0.00 H new ATOM 1418 N ASP A 94 -10.078 2.229 8.799 1.00 0.00 N ATOM 1419 CA ASP A 94 -9.222 3.227 9.431 1.00 0.00 C ATOM 1420 C ASP A 94 -8.263 3.841 8.416 1.00 0.00 C ATOM 1421 O ASP A 94 -7.994 5.043 8.449 1.00 0.00 O ATOM 1422 CB ASP A 94 -8.433 2.598 10.581 1.00 0.00 C ATOM 1423 CG ASP A 94 -7.100 2.036 10.128 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -6.194 2.836 9.817 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -6.962 0.795 10.085 1.00 0.00 O ATOM 0 H ASP A 94 -9.814 1.263 8.993 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.859 4.018 9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.264 3.347 11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.026 1.802 11.032 1.00 0.00 H new ATOM 1430 N LEU A 95 -7.751 3.010 7.515 1.00 0.00 N ATOM 1431 CA LEU A 95 -6.820 3.471 6.491 1.00 0.00 C ATOM 1432 C LEU A 95 -7.403 4.650 5.718 1.00 0.00 C ATOM 1433 O LEU A 95 -6.667 5.484 5.190 1.00 0.00 O ATOM 1434 CB LEU A 95 -6.484 2.331 5.529 1.00 0.00 C ATOM 1435 CG LEU A 95 -5.784 2.733 4.230 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -4.373 3.224 4.515 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -5.757 1.565 3.255 1.00 0.00 C ATOM 0 H LEU A 95 -7.965 2.014 7.473 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.906 3.801 6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.851 1.615 6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.408 1.813 5.275 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.346 3.548 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.890 3.506 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.416 4.089 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.801 2.429 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.255 1.869 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.219 0.730 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.778 1.258 3.026 1.00 0.00 H new ATOM 1449 N VAL A 96 -8.730 4.714 5.656 1.00 0.00 N ATOM 1450 CA VAL A 96 -9.411 5.792 4.950 1.00 0.00 C ATOM 1451 C VAL A 96 -9.014 7.153 5.512 1.00 0.00 C ATOM 1452 O VAL A 96 -8.882 8.126 4.769 1.00 0.00 O ATOM 1453 CB VAL A 96 -10.942 5.640 5.037 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -11.633 6.893 4.522 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -11.399 4.412 4.265 1.00 0.00 C ATOM 0 H VAL A 96 -9.354 4.032 6.086 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.106 5.730 3.906 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.218 5.507 6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.713 6.767 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.328 7.750 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.353 7.061 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.483 4.320 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.112 4.513 3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.930 3.522 4.686 1.00 0.00 H new ATOM 1465 N GLU A 97 -8.824 7.213 6.825 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.442 8.456 7.485 1.00 0.00 C ATOM 1467 C GLU A 97 -6.928 8.538 7.656 1.00 0.00 C ATOM 1468 O GLU A 97 -6.429 9.219 8.552 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.126 8.566 8.850 1.00 0.00 C ATOM 1470 CG GLU A 97 -10.644 8.585 8.769 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.294 8.919 10.098 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -11.323 10.114 10.459 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -11.775 7.986 10.775 1.00 0.00 O ATOM 0 H GLU A 97 -8.928 6.416 7.453 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.765 9.285 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.814 7.727 9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.785 9.475 9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.955 9.316 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.998 7.612 8.430 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.202 7.839 6.790 1.00 0.00 N ATOM 1481 CA VAL A 98 -4.744 7.833 6.843 1.00 0.00 C ATOM 1482 C VAL A 98 -4.247 7.752 8.282 1.00 0.00 C ATOM 1483 O VAL A 98 -3.466 8.591 8.728 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.153 9.089 6.176 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -2.642 8.968 6.057 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -4.788 9.317 4.813 1.00 0.00 C ATOM 0 H VAL A 98 -6.599 7.269 6.043 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.411 6.951 6.297 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.376 9.952 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.241 9.864 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.207 8.857 7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.393 8.096 5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.359 10.209 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.598 8.454 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.863 9.452 4.930 1.00 0.00 H new ATOM 1496 N ASN A 99 -4.706 6.736 9.005 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.309 6.545 10.395 1.00 0.00 C ATOM 1498 C ASN A 99 -3.042 5.700 10.487 1.00 0.00 C ATOM 1499 O ASN A 99 -3.030 4.515 10.152 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.438 5.879 11.184 1.00 0.00 C ATOM 1501 CG ASN A 99 -6.635 6.794 11.364 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -6.594 7.967 10.997 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -7.709 6.257 11.932 1.00 0.00 N ATOM 0 H ASN A 99 -5.354 6.032 8.651 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.104 7.525 10.826 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.752 4.972 10.668 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.065 5.577 12.162 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.545 6.823 12.079 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.698 5.279 12.221 1.00 0.00 H new ATOM 1510 N PRO A 100 -1.949 6.322 10.954 1.00 0.00 N ATOM 1511 CA PRO A 100 -0.657 5.646 11.103 1.00 0.00 C ATOM 1512 C PRO A 100 -0.669 4.613 12.224 1.00 0.00 C ATOM 1513 O PRO A 100 0.311 3.898 12.434 1.00 0.00 O ATOM 1514 CB PRO A 100 0.305 6.789 11.438 1.00 0.00 C ATOM 1515 CG PRO A 100 -0.555 7.838 12.055 1.00 0.00 C ATOM 1516 CD PRO A 100 -1.890 7.732 11.374 1.00 0.00 C ATOM 0 HA PRO A 100 -0.383 5.089 10.207 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.085 6.462 12.125 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.804 7.162 10.544 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.651 7.681 13.129 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.123 8.829 11.915 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.707 7.984 12.050 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.961 8.408 10.522 1.00 0.00 H new ATOM 1524 N LYS A 101 -1.784 4.540 12.944 1.00 0.00 N ATOM 1525 CA LYS A 101 -1.925 3.594 14.044 1.00 0.00 C ATOM 1526 C LYS A 101 -2.113 2.173 13.520 1.00 0.00 C ATOM 1527 O LYS A 101 -1.477 1.235 14.000 1.00 0.00 O ATOM 1528 CB LYS A 101 -3.111 3.982 14.930 1.00 0.00 C ATOM 1529 CG LYS A 101 -2.922 5.305 15.652 1.00 0.00 C ATOM 1530 CD LYS A 101 -4.250 6.003 15.892 1.00 0.00 C ATOM 1531 CE LYS A 101 -4.058 7.345 16.582 1.00 0.00 C ATOM 1532 NZ LYS A 101 -5.336 8.102 16.689 1.00 0.00 N ATOM 0 H LYS A 101 -2.604 5.126 12.785 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.011 3.627 14.636 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.010 4.038 14.316 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.276 3.196 15.667 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.423 5.132 16.606 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.271 5.952 15.064 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.761 6.152 14.941 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.891 5.367 16.503 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.646 7.185 17.578 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.330 7.938 16.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.163 9.010 17.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.717 8.277 15.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.023 7.548 17.240 1.00 0.00 H new ATOM 1546 N MET A 102 -2.987 2.024 12.530 1.00 0.00 N ATOM 1547 CA MET A 102 -3.256 0.718 11.939 1.00 0.00 C ATOM 1548 C MET A 102 -2.367 0.479 10.723 1.00 0.00 C ATOM 1549 O MET A 102 -1.983 -0.656 10.434 1.00 0.00 O ATOM 1550 CB MET A 102 -4.728 0.609 11.538 1.00 0.00 C ATOM 1551 CG MET A 102 -5.691 0.962 12.660 1.00 0.00 C ATOM 1552 SD MET A 102 -5.260 0.169 14.220 1.00 0.00 S ATOM 1553 CE MET A 102 -5.499 -1.556 13.801 1.00 0.00 C ATOM 0 H MET A 102 -3.521 2.791 12.120 1.00 0.00 H new ATOM 0 HA MET A 102 -3.033 -0.044 12.686 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.915 1.267 10.689 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.931 -0.408 11.203 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.702 2.043 12.797 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.700 0.667 12.374 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.357 -2.170 14.691 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.509 -1.701 13.417 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.776 -1.849 13.040 1.00 0.00 H new ATOM 1563 N VAL A 103 -2.041 1.554 10.012 1.00 0.00 N ATOM 1564 CA VAL A 103 -1.197 1.461 8.827 1.00 0.00 C ATOM 1565 C VAL A 103 0.178 0.901 9.176 1.00 0.00 C ATOM 1566 O VAL A 103 0.976 0.592 8.290 1.00 0.00 O ATOM 1567 CB VAL A 103 -1.023 2.834 8.152 1.00 0.00 C ATOM 1568 CG1 VAL A 103 -0.167 2.710 6.901 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -2.379 3.441 7.822 1.00 0.00 C ATOM 0 H VAL A 103 -2.349 2.500 10.237 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.698 0.785 8.134 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.512 3.499 8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.055 3.690 6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.815 2.321 7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.647 2.029 6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.237 4.411 7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.919 2.779 7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.954 3.568 8.739 1.00 0.00 H new ATOM 1579 N MET A 104 0.447 0.771 10.470 1.00 0.00 N ATOM 1580 CA MET A 104 1.726 0.246 10.935 1.00 0.00 C ATOM 1581 C MET A 104 2.049 -1.080 10.255 1.00 0.00 C ATOM 1582 O MET A 104 3.187 -1.324 9.854 1.00 0.00 O ATOM 1583 CB MET A 104 1.704 0.061 12.454 1.00 0.00 C ATOM 1584 CG MET A 104 0.868 -1.125 12.910 1.00 0.00 C ATOM 1585 SD MET A 104 0.354 -0.991 14.632 1.00 0.00 S ATOM 1586 CE MET A 104 -1.018 -2.141 14.666 1.00 0.00 C ATOM 0 H MET A 104 -0.203 1.022 11.215 1.00 0.00 H new ATOM 0 HA MET A 104 2.502 0.966 10.675 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.726 -0.067 12.811 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.316 0.968 12.917 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.015 -1.207 12.277 1.00 0.00 H new ATOM 0 HG3 MET A 104 1.442 -2.042 12.777 1.00 0.00 H new ATOM 0 HE1 MET A 104 -1.444 -2.170 15.669 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.781 -1.819 13.957 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.666 -3.136 14.393 1.00 0.00 H new ATOM 1596 N THR A 105 1.039 -1.936 10.127 1.00 0.00 N ATOM 1597 CA THR A 105 1.217 -3.239 9.497 1.00 0.00 C ATOM 1598 C THR A 105 0.794 -3.202 8.033 1.00 0.00 C ATOM 1599 O THR A 105 1.371 -3.893 7.193 1.00 0.00 O ATOM 1600 CB THR A 105 0.409 -4.330 10.225 1.00 0.00 C ATOM 1601 OG1 THR A 105 -0.826 -3.788 10.706 1.00 0.00 O ATOM 1602 CG2 THR A 105 1.203 -4.904 11.389 1.00 0.00 C ATOM 0 H THR A 105 0.090 -1.750 10.451 1.00 0.00 H new ATOM 0 HA THR A 105 2.278 -3.480 9.561 1.00 0.00 H new ATOM 0 HB THR A 105 0.201 -5.131 9.516 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.334 -4.489 11.166 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.613 -5.672 11.888 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.129 -5.342 11.017 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.437 -4.109 12.097 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.216 -2.391 7.732 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.714 -2.264 6.368 1.00 0.00 C ATOM 1612 C VAL A 106 0.428 -2.311 5.360 1.00 0.00 C ATOM 1613 O VAL A 106 0.480 -3.197 4.506 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.499 -0.952 6.178 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.781 -0.708 4.703 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.792 -0.985 6.978 1.00 0.00 C ATOM 0 H VAL A 106 -0.705 -1.812 8.415 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.382 -3.107 6.194 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.890 -0.127 6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.336 0.223 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.839 -0.638 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.370 -1.534 4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.334 -0.051 6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.408 -1.818 6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.562 -1.110 8.036 1.00 0.00 H new ATOM 1626 N PHE A 107 1.341 -1.352 5.463 1.00 0.00 N ATOM 1627 CA PHE A 107 2.484 -1.283 4.559 1.00 0.00 C ATOM 1628 C PHE A 107 3.520 -2.346 4.910 1.00 0.00 C ATOM 1629 O PHE A 107 4.006 -3.066 4.039 1.00 0.00 O ATOM 1630 CB PHE A 107 3.122 0.106 4.614 1.00 0.00 C ATOM 1631 CG PHE A 107 2.497 1.092 3.669 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.257 0.749 2.348 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.146 2.360 4.101 1.00 0.00 C ATOM 1634 CE1 PHE A 107 1.683 1.654 1.476 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.571 3.270 3.234 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.339 2.916 1.920 1.00 0.00 C ATOM 0 H PHE A 107 1.312 -0.611 6.164 1.00 0.00 H new ATOM 0 HA PHE A 107 2.126 -1.470 3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.046 0.492 5.631 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.184 0.018 4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 107 2.522 -0.237 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.324 2.641 5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.503 1.375 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.304 4.256 3.584 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.889 3.625 1.240 1.00 0.00 H new ATOM 1646 N ALA A 108 3.854 -2.437 6.193 1.00 0.00 N ATOM 1647 CA ALA A 108 4.832 -3.411 6.662 1.00 0.00 C ATOM 1648 C ALA A 108 4.688 -4.734 5.917 1.00 0.00 C ATOM 1649 O ALA A 108 5.578 -5.135 5.166 1.00 0.00 O ATOM 1650 CB ALA A 108 4.685 -3.628 8.160 1.00 0.00 C ATOM 0 H ALA A 108 3.461 -1.847 6.927 1.00 0.00 H new ATOM 0 HA ALA A 108 5.828 -3.016 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.422 -4.358 8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.845 -2.684 8.682 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.683 -3.998 8.377 1.00 0.00 H new ATOM 1656 N CYS A 109 3.563 -5.407 6.130 1.00 0.00 N ATOM 1657 CA CYS A 109 3.303 -6.687 5.480 1.00 0.00 C ATOM 1658 C CYS A 109 3.718 -6.646 4.013 1.00 0.00 C ATOM 1659 O CYS A 109 4.191 -7.641 3.462 1.00 0.00 O ATOM 1660 CB CYS A 109 1.821 -7.049 5.593 1.00 0.00 C ATOM 1661 SG CYS A 109 1.484 -8.822 5.492 1.00 0.00 S ATOM 0 H CYS A 109 2.816 -5.088 6.747 1.00 0.00 H new ATOM 0 HA CYS A 109 3.895 -7.450 5.986 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.437 -6.671 6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.272 -6.540 4.800 1.00 0.00 H new ATOM 0 HG CYS A 109 1.186 -9.275 6.674 1.00 0.00 H new ATOM 1667 N LEU A 110 3.537 -5.489 3.385 1.00 0.00 N ATOM 1668 CA LEU A 110 3.892 -5.318 1.980 1.00 0.00 C ATOM 1669 C LEU A 110 5.376 -5.002 1.828 1.00 0.00 C ATOM 1670 O LEU A 110 6.152 -5.833 1.356 1.00 0.00 O ATOM 1671 CB LEU A 110 3.054 -4.201 1.354 1.00 0.00 C ATOM 1672 CG LEU A 110 1.545 -4.442 1.303 1.00 0.00 C ATOM 1673 CD1 LEU A 110 0.792 -3.121 1.334 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.175 -5.239 0.061 1.00 0.00 C ATOM 0 H LEU A 110 3.147 -4.656 3.826 1.00 0.00 H new ATOM 0 HA LEU A 110 3.684 -6.254 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.236 -3.282 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.410 -4.034 0.337 1.00 0.00 H new ATOM 0 HG LEU A 110 1.259 -5.021 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.280 -3.313 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.034 -2.586 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.082 -2.516 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.097 -5.402 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.476 -4.686 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.687 -6.201 0.080 1.00 0.00 H new