USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 697 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 89 HIS : no HD1:sc= -2.57 K(o=-3.6,f=-2.8) USER MOD Set 1.2: A 93 SER OG : rot -170:sc= -0.979 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.223 X(o=0.22,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 28 GLN : amide:sc= -5.59! C(o=-5.6!,f=-9.1!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0896 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.054) USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0583) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -5.39! C(o=-5.4!,f=-6.5!) USER MOD Single : A 49 SER OG : rot 7:sc= 0.297 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.29 USER MOD Single : A 58 HIS : no HD1:sc= -0.0165 X(o=-0.016,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -3.06 K(o=-3.1,f=-0.89) USER MOD Single : A 76 ASN : amide:sc= -2.61 X(o=-2.6,f=-2.4) USER MOD Single : A 79 HIS : no HE2:sc= -8.06! C(o=-8.1!,f=-12!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= -0.317 (180deg=-0.465) USER MOD Single : A 86 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.68!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ASP A 10 -6.091 17.521 -3.376 1.00 0.00 N ATOM 90 CA ASP A 10 -6.065 16.606 -4.511 1.00 0.00 C ATOM 91 C ASP A 10 -5.710 15.192 -4.061 1.00 0.00 C ATOM 92 O ASP A 10 -4.611 14.704 -4.325 1.00 0.00 O ATOM 93 CB ASP A 10 -5.062 17.088 -5.560 1.00 0.00 C ATOM 94 CG ASP A 10 -3.900 17.844 -4.945 1.00 0.00 C ATOM 95 OD1 ASP A 10 -3.432 17.434 -3.862 1.00 0.00 O ATOM 96 OD2 ASP A 10 -3.459 18.844 -5.547 1.00 0.00 O ATOM 0 HA ASP A 10 -7.061 16.588 -4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.681 16.231 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.572 17.731 -6.277 1.00 0.00 H new ATOM 101 N ALA A 11 -6.646 14.541 -3.378 1.00 0.00 N ATOM 102 CA ALA A 11 -6.432 13.184 -2.892 1.00 0.00 C ATOM 103 C ALA A 11 -7.052 12.158 -3.835 1.00 0.00 C ATOM 104 O ALA A 11 -6.563 11.034 -3.952 1.00 0.00 O ATOM 105 CB ALA A 11 -7.004 13.029 -1.491 1.00 0.00 C ATOM 0 H ALA A 11 -7.560 14.932 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.358 13.003 -2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.837 12.010 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.511 13.730 -0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.074 13.235 -1.510 1.00 0.00 H new ATOM 111 N ARG A 12 -8.129 12.553 -4.505 1.00 0.00 N ATOM 112 CA ARG A 12 -8.817 11.667 -5.436 1.00 0.00 C ATOM 113 C ARG A 12 -8.148 11.695 -6.808 1.00 0.00 C ATOM 114 O ARG A 12 -8.646 11.101 -7.764 1.00 0.00 O ATOM 115 CB ARG A 12 -10.287 12.069 -5.566 1.00 0.00 C ATOM 116 CG ARG A 12 -10.508 13.298 -6.432 1.00 0.00 C ATOM 117 CD ARG A 12 -11.989 13.586 -6.623 1.00 0.00 C ATOM 118 NE ARG A 12 -12.522 14.440 -5.564 1.00 0.00 N ATOM 119 CZ ARG A 12 -12.246 15.735 -5.456 1.00 0.00 C ATOM 120 NH1 ARG A 12 -11.448 16.322 -6.337 1.00 0.00 N ATOM 121 NH2 ARG A 12 -12.769 16.446 -4.465 1.00 0.00 N ATOM 0 H ARG A 12 -8.544 13.481 -4.421 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.759 10.652 -5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.848 11.234 -5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.693 12.258 -4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.025 14.160 -5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.037 13.149 -7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.143 14.067 -7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.541 12.646 -6.643 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.140 14.019 -4.870 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.044 15.779 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.238 17.316 -6.252 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.384 15.998 -3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.556 17.440 -4.383 1.00 0.00 H new ATOM 135 N ARG A 13 -7.019 12.391 -6.896 1.00 0.00 N ATOM 136 CA ARG A 13 -6.284 12.498 -8.150 1.00 0.00 C ATOM 137 C ARG A 13 -5.046 11.607 -8.132 1.00 0.00 C ATOM 138 O ARG A 13 -4.130 11.781 -8.938 1.00 0.00 O ATOM 139 CB ARG A 13 -5.876 13.951 -8.403 1.00 0.00 C ATOM 140 CG ARG A 13 -6.926 14.758 -9.149 1.00 0.00 C ATOM 141 CD ARG A 13 -6.867 16.230 -8.775 1.00 0.00 C ATOM 142 NE ARG A 13 -7.306 17.091 -9.869 1.00 0.00 N ATOM 143 CZ ARG A 13 -7.754 18.330 -9.696 1.00 0.00 C ATOM 144 NH1 ARG A 13 -7.820 18.850 -8.478 1.00 0.00 N ATOM 145 NH2 ARG A 13 -8.135 19.051 -10.742 1.00 0.00 N ATOM 0 H ARG A 13 -6.594 12.889 -6.114 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.938 12.165 -8.956 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.671 14.433 -7.447 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.947 13.965 -8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.776 14.648 -10.223 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.917 14.364 -8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.493 16.407 -7.901 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.847 16.492 -8.495 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.267 16.721 -10.819 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.527 18.299 -7.672 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.164 19.801 -8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.084 18.655 -11.680 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.479 20.002 -10.608 1.00 0.00 H new ATOM 159 N LEU A 14 -5.024 10.652 -7.209 1.00 0.00 N ATOM 160 CA LEU A 14 -3.899 9.732 -7.086 1.00 0.00 C ATOM 161 C LEU A 14 -4.240 8.370 -7.682 1.00 0.00 C ATOM 162 O LEU A 14 -5.322 7.831 -7.449 1.00 0.00 O ATOM 163 CB LEU A 14 -3.503 9.573 -5.617 1.00 0.00 C ATOM 164 CG LEU A 14 -2.562 10.640 -5.056 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.336 11.900 -4.698 1.00 0.00 C ATOM 166 CD2 LEU A 14 -1.815 10.108 -3.841 1.00 0.00 C ATOM 0 H LEU A 14 -5.773 10.495 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.059 10.150 -7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.412 9.566 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.031 8.599 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.832 10.893 -5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.650 12.648 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.824 12.293 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.089 11.663 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.150 10.881 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.531 9.826 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.229 9.235 -4.128 1.00 0.00 H new ATOM 178 N THR A 15 -3.308 7.817 -8.452 1.00 0.00 N ATOM 179 CA THR A 15 -3.509 6.518 -9.081 1.00 0.00 C ATOM 180 C THR A 15 -2.554 5.476 -8.510 1.00 0.00 C ATOM 181 O THR A 15 -1.384 5.764 -8.258 1.00 0.00 O ATOM 182 CB THR A 15 -3.313 6.596 -10.607 1.00 0.00 C ATOM 183 OG1 THR A 15 -3.930 7.782 -11.120 1.00 0.00 O ATOM 184 CG2 THR A 15 -3.904 5.373 -11.292 1.00 0.00 C ATOM 0 H THR A 15 -2.406 8.249 -8.655 1.00 0.00 H new ATOM 0 HA THR A 15 -4.536 6.220 -8.869 1.00 0.00 H new ATOM 0 HB THR A 15 -2.243 6.626 -10.813 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.800 7.825 -12.090 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.753 5.451 -12.369 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.411 4.474 -10.921 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.971 5.316 -11.078 1.00 0.00 H new ATOM 192 N VAL A 16 -3.059 4.264 -8.308 1.00 0.00 N ATOM 193 CA VAL A 16 -2.250 3.178 -7.768 1.00 0.00 C ATOM 194 C VAL A 16 -1.891 2.168 -8.852 1.00 0.00 C ATOM 195 O VAL A 16 -2.707 1.858 -9.720 1.00 0.00 O ATOM 196 CB VAL A 16 -2.979 2.449 -6.624 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.132 1.302 -6.095 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.328 3.424 -5.509 1.00 0.00 C ATOM 0 H VAL A 16 -4.026 4.009 -8.510 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.337 3.628 -7.378 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.907 2.032 -7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.664 0.799 -5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.938 0.592 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.186 1.692 -5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.843 2.892 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.414 3.872 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.977 4.207 -5.900 1.00 0.00 H new ATOM 208 N MET A 17 -0.666 1.657 -8.795 1.00 0.00 N ATOM 209 CA MET A 17 -0.199 0.680 -9.772 1.00 0.00 C ATOM 210 C MET A 17 0.475 -0.501 -9.080 1.00 0.00 C ATOM 211 O MET A 17 0.582 -0.536 -7.854 1.00 0.00 O ATOM 212 CB MET A 17 0.773 1.333 -10.755 1.00 0.00 C ATOM 213 CG MET A 17 0.137 2.417 -11.609 1.00 0.00 C ATOM 214 SD MET A 17 -0.963 1.750 -12.873 1.00 0.00 S ATOM 215 CE MET A 17 0.068 1.895 -14.330 1.00 0.00 C ATOM 0 H MET A 17 0.021 1.903 -8.083 1.00 0.00 H new ATOM 0 HA MET A 17 -1.065 0.311 -10.321 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.606 1.762 -10.198 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.188 0.565 -11.407 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.423 3.097 -10.968 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.921 3.003 -12.088 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.475 1.521 -15.198 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.330 2.941 -14.488 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.978 1.311 -14.192 1.00 0.00 H new ATOM 225 N SER A 18 0.928 -1.466 -9.874 1.00 0.00 N ATOM 226 CA SER A 18 1.589 -2.650 -9.337 1.00 0.00 C ATOM 227 C SER A 18 0.900 -3.125 -8.061 1.00 0.00 C ATOM 228 O SER A 18 1.557 -3.532 -7.102 1.00 0.00 O ATOM 229 CB SER A 18 3.063 -2.354 -9.055 1.00 0.00 C ATOM 230 OG SER A 18 3.772 -2.101 -10.256 1.00 0.00 O ATOM 0 H SER A 18 0.849 -1.451 -10.891 1.00 0.00 H new ATOM 0 HA SER A 18 1.522 -3.443 -10.082 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.144 -1.492 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.514 -3.199 -8.534 1.00 0.00 H new ATOM 0 HG SER A 18 4.711 -1.913 -10.048 1.00 0.00 H new ATOM 236 N LEU A 19 -0.427 -3.069 -8.057 1.00 0.00 N ATOM 237 CA LEU A 19 -1.207 -3.493 -6.899 1.00 0.00 C ATOM 238 C LEU A 19 -1.792 -4.884 -7.117 1.00 0.00 C ATOM 239 O LEU A 19 -2.441 -5.143 -8.130 1.00 0.00 O ATOM 240 CB LEU A 19 -2.330 -2.492 -6.622 1.00 0.00 C ATOM 241 CG LEU A 19 -3.065 -2.660 -5.292 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.360 -1.883 -4.191 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.513 -2.208 -5.422 1.00 0.00 C ATOM 0 H LEU A 19 -0.986 -2.734 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.541 -3.530 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.911 -1.487 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.059 -2.562 -7.429 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.057 -3.717 -5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.897 -2.014 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.340 -2.252 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.336 -0.825 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.021 -2.335 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.542 -1.158 -5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.015 -2.808 -6.182 1.00 0.00 H new ATOM 255 N GLN A 20 -1.559 -5.775 -6.159 1.00 0.00 N ATOM 256 CA GLN A 20 -2.064 -7.140 -6.246 1.00 0.00 C ATOM 257 C GLN A 20 -3.507 -7.218 -5.758 1.00 0.00 C ATOM 258 O GLN A 20 -3.934 -6.421 -4.923 1.00 0.00 O ATOM 259 CB GLN A 20 -1.185 -8.086 -5.426 1.00 0.00 C ATOM 260 CG GLN A 20 -1.231 -9.528 -5.905 1.00 0.00 C ATOM 261 CD GLN A 20 -0.230 -9.808 -7.008 1.00 0.00 C ATOM 262 OE1 GLN A 20 -0.544 -9.689 -8.193 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.985 -10.183 -6.625 1.00 0.00 N ATOM 0 H GLN A 20 -1.024 -5.576 -5.314 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.035 -7.445 -7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.154 -7.733 -5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.499 -8.048 -4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.035 -10.193 -5.064 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.235 -9.756 -6.264 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.203 -10.269 -5.632 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.700 -10.385 -7.324 1.00 0.00 H new ATOM 272 N GLU A 21 -4.254 -8.183 -6.286 1.00 0.00 N ATOM 273 CA GLU A 21 -5.650 -8.363 -5.904 1.00 0.00 C ATOM 274 C GLU A 21 -5.854 -9.704 -5.204 1.00 0.00 C ATOM 275 O GLU A 21 -6.043 -9.759 -3.989 1.00 0.00 O ATOM 276 CB GLU A 21 -6.554 -8.276 -7.136 1.00 0.00 C ATOM 277 CG GLU A 21 -6.832 -6.852 -7.587 1.00 0.00 C ATOM 278 CD GLU A 21 -7.803 -6.787 -8.750 1.00 0.00 C ATOM 279 OE1 GLU A 21 -7.442 -7.257 -9.849 1.00 0.00 O ATOM 280 OE2 GLU A 21 -8.922 -6.267 -8.561 1.00 0.00 O ATOM 0 H GLU A 21 -3.916 -8.851 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.916 -7.566 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.090 -8.824 -7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.501 -8.770 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.235 -6.282 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.894 -6.376 -7.874 1.00 0.00 H new ATOM 287 N SER A 22 -5.815 -10.782 -5.981 1.00 0.00 N ATOM 288 CA SER A 22 -6.000 -12.122 -5.437 1.00 0.00 C ATOM 289 C SER A 22 -4.765 -12.984 -5.683 1.00 0.00 C ATOM 290 O SER A 22 -4.866 -14.196 -5.867 1.00 0.00 O ATOM 291 CB SER A 22 -7.230 -12.784 -6.062 1.00 0.00 C ATOM 292 OG SER A 22 -7.044 -12.996 -7.451 1.00 0.00 O ATOM 0 H SER A 22 -5.657 -10.753 -6.988 1.00 0.00 H new ATOM 0 HA SER A 22 -6.151 -12.033 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.425 -13.736 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.106 -12.156 -5.901 1.00 0.00 H new ATOM 0 HG SER A 22 -7.843 -13.422 -7.827 1.00 0.00 H new ATOM 298 N GLY A 23 -3.598 -12.347 -5.685 1.00 0.00 N ATOM 299 CA GLY A 23 -2.359 -13.069 -5.910 1.00 0.00 C ATOM 300 C GLY A 23 -1.318 -12.779 -4.847 1.00 0.00 C ATOM 301 O GLY A 23 -0.117 -12.808 -5.119 1.00 0.00 O ATOM 0 H GLY A 23 -3.488 -11.344 -5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.564 -14.139 -5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.959 -12.802 -6.888 1.00 0.00 H new ATOM 305 N LEU A 24 -1.778 -12.498 -3.632 1.00 0.00 N ATOM 306 CA LEU A 24 -0.878 -12.200 -2.524 1.00 0.00 C ATOM 307 C LEU A 24 -0.406 -13.482 -1.846 1.00 0.00 C ATOM 308 O LEU A 24 -0.993 -14.548 -2.031 1.00 0.00 O ATOM 309 CB LEU A 24 -1.575 -11.298 -1.504 1.00 0.00 C ATOM 310 CG LEU A 24 -1.577 -9.802 -1.822 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.170 -9.011 -0.666 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.167 -9.321 -2.133 1.00 0.00 C ATOM 0 H LEU A 24 -2.768 -12.470 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.007 -11.681 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.609 -11.629 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.098 -11.442 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.198 -9.638 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.163 -7.949 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.195 -9.336 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.577 -9.180 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.188 -8.254 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.476 -9.499 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.221 -9.865 -2.994 1.00 0.00 H new ATOM 324 N LYS A 25 0.659 -13.372 -1.059 1.00 0.00 N ATOM 325 CA LYS A 25 1.210 -14.521 -0.350 1.00 0.00 C ATOM 326 C LYS A 25 1.617 -14.140 1.070 1.00 0.00 C ATOM 327 O LYS A 25 2.444 -13.250 1.272 1.00 0.00 O ATOM 328 CB LYS A 25 2.417 -15.081 -1.105 1.00 0.00 C ATOM 329 CG LYS A 25 2.105 -15.488 -2.534 1.00 0.00 C ATOM 330 CD LYS A 25 3.371 -15.637 -3.361 1.00 0.00 C ATOM 331 CE LYS A 25 3.064 -16.126 -4.768 1.00 0.00 C ATOM 332 NZ LYS A 25 4.297 -16.542 -5.492 1.00 0.00 N ATOM 0 H LYS A 25 1.158 -12.498 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 25 0.437 -15.287 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.209 -14.332 -1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.803 -15.946 -0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.557 -16.430 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.456 -14.742 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.888 -14.679 -3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.047 -16.338 -2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.372 -16.966 -4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.564 -15.335 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.045 -16.869 -6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.947 -15.734 -5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.761 -17.315 -4.973 1.00 0.00 H new ATOM 346 N VAL A 26 1.032 -14.820 2.051 1.00 0.00 N ATOM 347 CA VAL A 26 1.336 -14.554 3.452 1.00 0.00 C ATOM 348 C VAL A 26 2.840 -14.577 3.702 1.00 0.00 C ATOM 349 O VAL A 26 3.552 -15.435 3.184 1.00 0.00 O ATOM 350 CB VAL A 26 0.657 -15.581 4.378 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.854 -15.527 4.218 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.182 -16.981 4.096 1.00 0.00 C ATOM 0 H VAL A 26 0.345 -15.559 1.901 1.00 0.00 H new ATOM 0 HA VAL A 26 0.948 -13.560 3.677 1.00 0.00 H new ATOM 0 HB VAL A 26 0.898 -15.329 5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.316 -16.259 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.212 -14.530 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.119 -15.753 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.692 -17.694 4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.973 -17.246 3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.258 -17.007 4.267 1.00 0.00 H new ATOM 362 N ASN A 27 3.316 -13.627 4.501 1.00 0.00 N ATOM 363 CA ASN A 27 4.736 -13.537 4.820 1.00 0.00 C ATOM 364 C ASN A 27 5.554 -13.211 3.574 1.00 0.00 C ATOM 365 O ASN A 27 6.680 -13.683 3.418 1.00 0.00 O ATOM 366 CB ASN A 27 5.225 -14.850 5.435 1.00 0.00 C ATOM 367 CG ASN A 27 4.439 -15.236 6.673 1.00 0.00 C ATOM 368 OD1 ASN A 27 3.878 -14.381 7.357 1.00 0.00 O ATOM 369 ND2 ASN A 27 4.397 -16.531 6.966 1.00 0.00 N ATOM 0 H ASN A 27 2.739 -12.909 4.939 1.00 0.00 H new ATOM 0 HA ASN A 27 4.871 -12.732 5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.146 -15.646 4.695 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.280 -14.757 5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.884 -16.852 7.787 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.878 -17.205 6.370 1.00 0.00 H new ATOM 376 N GLN A 28 4.980 -12.400 2.691 1.00 0.00 N ATOM 377 CA GLN A 28 5.656 -12.010 1.460 1.00 0.00 C ATOM 378 C GLN A 28 5.707 -10.492 1.323 1.00 0.00 C ATOM 379 O GLN A 28 4.764 -9.781 1.672 1.00 0.00 O ATOM 380 CB GLN A 28 4.946 -12.619 0.249 1.00 0.00 C ATOM 381 CG GLN A 28 3.848 -11.736 -0.321 1.00 0.00 C ATOM 382 CD GLN A 28 4.361 -10.774 -1.375 1.00 0.00 C ATOM 383 OE1 GLN A 28 4.244 -9.557 -1.230 1.00 0.00 O ATOM 384 NE2 GLN A 28 4.933 -11.317 -2.443 1.00 0.00 N ATOM 0 H GLN A 28 4.049 -12.000 2.806 1.00 0.00 H new ATOM 0 HA GLN A 28 6.678 -12.387 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.681 -12.818 -0.530 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.517 -13.579 0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 28 3.071 -12.364 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.385 -11.170 0.488 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.008 -12.331 -2.521 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.297 -10.720 -3.186 1.00 0.00 H new ATOM 393 N PRO A 29 6.833 -9.981 0.805 1.00 0.00 N ATOM 394 CA PRO A 29 7.034 -8.542 0.611 1.00 0.00 C ATOM 395 C PRO A 29 6.153 -7.979 -0.498 1.00 0.00 C ATOM 396 O PRO A 29 6.321 -8.315 -1.670 1.00 0.00 O ATOM 397 CB PRO A 29 8.512 -8.439 0.224 1.00 0.00 C ATOM 398 CG PRO A 29 8.841 -9.766 -0.368 1.00 0.00 C ATOM 399 CD PRO A 29 7.998 -10.770 0.368 1.00 0.00 C ATOM 0 HA PRO A 29 6.772 -7.970 1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.679 -7.634 -0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.135 -8.227 1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.623 -9.782 -1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.902 -9.991 -0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.704 -11.598 -0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.533 -11.200 1.215 1.00 0.00 H new ATOM 407 N ALA A 30 5.212 -7.119 -0.121 1.00 0.00 N ATOM 408 CA ALA A 30 4.305 -6.507 -1.084 1.00 0.00 C ATOM 409 C ALA A 30 4.475 -4.992 -1.112 1.00 0.00 C ATOM 410 O ALA A 30 4.325 -4.322 -0.090 1.00 0.00 O ATOM 411 CB ALA A 30 2.865 -6.872 -0.759 1.00 0.00 C ATOM 0 H ALA A 30 5.058 -6.830 0.845 1.00 0.00 H new ATOM 0 HA ALA A 30 4.551 -6.893 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.199 -6.408 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.747 -7.955 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.616 -6.515 0.240 1.00 0.00 H new ATOM 417 N SER A 31 4.791 -4.458 -2.288 1.00 0.00 N ATOM 418 CA SER A 31 4.986 -3.021 -2.447 1.00 0.00 C ATOM 419 C SER A 31 4.401 -2.537 -3.770 1.00 0.00 C ATOM 420 O SER A 31 4.239 -3.314 -4.712 1.00 0.00 O ATOM 421 CB SER A 31 6.475 -2.677 -2.378 1.00 0.00 C ATOM 422 OG SER A 31 6.668 -1.311 -2.052 1.00 0.00 O ATOM 0 H SER A 31 4.917 -4.998 -3.144 1.00 0.00 H new ATOM 0 HA SER A 31 4.466 -2.516 -1.633 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.962 -3.305 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.947 -2.896 -3.336 1.00 0.00 H new ATOM 0 HG SER A 31 7.628 -1.117 -2.012 1.00 0.00 H new ATOM 428 N PHE A 32 4.086 -1.248 -3.834 1.00 0.00 N ATOM 429 CA PHE A 32 3.518 -0.659 -5.041 1.00 0.00 C ATOM 430 C PHE A 32 3.922 0.807 -5.173 1.00 0.00 C ATOM 431 O PHE A 32 4.333 1.438 -4.200 1.00 0.00 O ATOM 432 CB PHE A 32 1.992 -0.779 -5.024 1.00 0.00 C ATOM 433 CG PHE A 32 1.358 -0.189 -3.797 1.00 0.00 C ATOM 434 CD1 PHE A 32 1.083 1.167 -3.728 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.038 -0.991 -2.713 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.499 1.713 -2.600 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.453 -0.450 -1.584 1.00 0.00 C ATOM 438 CZ PHE A 32 0.185 0.904 -1.526 1.00 0.00 C ATOM 0 H PHE A 32 4.214 -0.591 -3.064 1.00 0.00 H new ATOM 0 HA PHE A 32 3.909 -1.205 -5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.587 -0.284 -5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.717 -1.831 -5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.328 1.805 -4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.248 -2.050 -2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.289 2.772 -2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.205 -1.086 -0.747 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.269 1.329 -0.643 1.00 0.00 H new ATOM 448 N ALA A 33 3.802 1.341 -6.384 1.00 0.00 N ATOM 449 CA ALA A 33 4.153 2.731 -6.644 1.00 0.00 C ATOM 450 C ALA A 33 2.905 3.599 -6.763 1.00 0.00 C ATOM 451 O ALA A 33 1.944 3.231 -7.440 1.00 0.00 O ATOM 452 CB ALA A 33 4.994 2.836 -7.908 1.00 0.00 C ATOM 0 H ALA A 33 3.464 0.831 -7.201 1.00 0.00 H new ATOM 0 HA ALA A 33 4.739 3.096 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.249 3.880 -8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.908 2.255 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.428 2.448 -8.755 1.00 0.00 H new ATOM 458 N ILE A 34 2.926 4.752 -6.102 1.00 0.00 N ATOM 459 CA ILE A 34 1.796 5.671 -6.135 1.00 0.00 C ATOM 460 C ILE A 34 2.034 6.799 -7.134 1.00 0.00 C ATOM 461 O ILE A 34 3.003 7.549 -7.019 1.00 0.00 O ATOM 462 CB ILE A 34 1.525 6.280 -4.746 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.257 5.173 -3.724 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.350 7.244 -4.811 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.369 5.637 -2.289 1.00 0.00 C ATOM 0 H ILE A 34 3.713 5.071 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 34 0.927 5.091 -6.445 1.00 0.00 H new ATOM 0 HB ILE A 34 2.408 6.835 -4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.258 4.770 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.961 4.358 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.171 7.666 -3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.576 8.047 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.540 6.711 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.167 4.801 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.375 6.013 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.646 6.432 -2.106 1.00 0.00 H new ATOM 477 N ARG A 35 1.141 6.913 -8.112 1.00 0.00 N ATOM 478 CA ARG A 35 1.254 7.950 -9.131 1.00 0.00 C ATOM 479 C ARG A 35 0.637 9.258 -8.646 1.00 0.00 C ATOM 480 O ARG A 35 -0.480 9.276 -8.127 1.00 0.00 O ATOM 481 CB ARG A 35 0.570 7.500 -10.424 1.00 0.00 C ATOM 482 CG ARG A 35 0.103 8.652 -11.299 1.00 0.00 C ATOM 483 CD ARG A 35 0.016 8.242 -12.760 1.00 0.00 C ATOM 484 NE ARG A 35 1.327 8.228 -13.404 1.00 0.00 N ATOM 485 CZ ARG A 35 1.513 7.939 -14.687 1.00 0.00 C ATOM 486 NH1 ARG A 35 0.477 7.641 -15.459 1.00 0.00 N ATOM 487 NH2 ARG A 35 2.737 7.948 -15.200 1.00 0.00 N ATOM 0 H ARG A 35 0.332 6.301 -8.220 1.00 0.00 H new ATOM 0 HA ARG A 35 2.313 8.118 -9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.261 6.879 -10.994 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.287 6.875 -10.173 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.873 8.997 -10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.791 9.491 -11.196 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.434 7.252 -12.832 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.641 8.930 -13.291 1.00 0.00 H new ATOM 0 HE ARG A 35 2.145 8.453 -12.837 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.465 7.633 -15.068 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.622 7.419 -16.444 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.536 8.177 -14.609 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.879 7.726 -16.185 1.00 0.00 H new ATOM 501 N LEU A 36 1.372 10.352 -8.816 1.00 0.00 N ATOM 502 CA LEU A 36 0.898 11.666 -8.395 1.00 0.00 C ATOM 503 C LEU A 36 0.634 12.562 -9.601 1.00 0.00 C ATOM 504 O LEU A 36 1.560 12.953 -10.311 1.00 0.00 O ATOM 505 CB LEU A 36 1.921 12.326 -7.469 1.00 0.00 C ATOM 506 CG LEU A 36 2.539 11.424 -6.401 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.553 12.197 -5.571 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.457 10.833 -5.510 1.00 0.00 C ATOM 0 H LEU A 36 2.299 10.355 -9.242 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.039 11.531 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.725 12.734 -8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.440 13.168 -6.971 1.00 0.00 H new ATOM 0 HG LEU A 36 3.057 10.605 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.983 11.539 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.345 12.571 -6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.059 13.036 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.916 10.194 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.910 11.638 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.769 10.243 -6.116 1.00 0.00 H new ATOM 520 N ASN A 37 -0.636 12.884 -9.826 1.00 0.00 N ATOM 521 CA ASN A 37 -1.021 13.736 -10.945 1.00 0.00 C ATOM 522 C ASN A 37 -0.904 15.210 -10.573 1.00 0.00 C ATOM 523 O ASN A 37 -1.528 16.070 -11.193 1.00 0.00 O ATOM 524 CB ASN A 37 -2.453 13.421 -11.383 1.00 0.00 C ATOM 525 CG ASN A 37 -2.578 12.045 -12.008 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.632 11.909 -13.230 1.00 0.00 O ATOM 527 ND2 ASN A 37 -2.624 11.016 -11.170 1.00 0.00 N ATOM 0 H ASN A 37 -1.415 12.568 -9.249 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.342 13.534 -11.773 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.116 13.487 -10.521 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.785 14.173 -12.099 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.707 10.066 -11.533 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.576 11.175 -10.164 1.00 0.00 H new ATOM 534 N GLY A 38 -0.099 15.496 -9.554 1.00 0.00 N ATOM 535 CA GLY A 38 0.087 16.867 -9.116 1.00 0.00 C ATOM 536 C GLY A 38 -0.466 17.111 -7.726 1.00 0.00 C ATOM 537 O GLY A 38 -0.830 18.236 -7.384 1.00 0.00 O ATOM 0 H GLY A 38 0.428 14.802 -9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.150 17.108 -9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.401 17.540 -9.821 1.00 0.00 H new ATOM 541 N ALA A 39 -0.530 16.055 -6.922 1.00 0.00 N ATOM 542 CA ALA A 39 -1.041 16.160 -5.561 1.00 0.00 C ATOM 543 C ALA A 39 0.091 16.386 -4.565 1.00 0.00 C ATOM 544 O ALA A 39 0.934 15.514 -4.359 1.00 0.00 O ATOM 545 CB ALA A 39 -1.827 14.910 -5.195 1.00 0.00 C ATOM 0 H ALA A 39 -0.234 15.116 -7.190 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.707 17.022 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.203 15.002 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.665 14.793 -5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.177 14.038 -5.265 1.00 0.00 H new ATOM 551 N LYS A 40 0.104 17.564 -3.950 1.00 0.00 N ATOM 552 CA LYS A 40 1.132 17.906 -2.974 1.00 0.00 C ATOM 553 C LYS A 40 0.538 18.012 -1.573 1.00 0.00 C ATOM 554 O LYS A 40 -0.321 18.853 -1.314 1.00 0.00 O ATOM 555 CB LYS A 40 1.806 19.226 -3.355 1.00 0.00 C ATOM 556 CG LYS A 40 2.590 19.156 -4.653 1.00 0.00 C ATOM 557 CD LYS A 40 2.677 20.516 -5.326 1.00 0.00 C ATOM 558 CE LYS A 40 3.673 21.424 -4.621 1.00 0.00 C ATOM 559 NZ LYS A 40 5.081 21.034 -4.912 1.00 0.00 N ATOM 0 H LYS A 40 -0.586 18.298 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 40 1.878 17.111 -2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.045 20.001 -3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.477 19.527 -2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.595 18.783 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.115 18.445 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.972 20.389 -6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.693 20.986 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.510 22.455 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.501 21.387 -3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.725 21.769 -4.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.295 20.131 -4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.207 20.930 -5.939 1.00 0.00 H new ATOM 573 N GLY A 41 1.004 17.153 -0.671 1.00 0.00 N ATOM 574 CA GLY A 41 0.509 17.168 0.693 1.00 0.00 C ATOM 575 C GLY A 41 1.224 16.168 1.580 1.00 0.00 C ATOM 576 O GLY A 41 2.421 16.296 1.834 1.00 0.00 O ATOM 0 H GLY A 41 1.715 16.447 -0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.629 18.168 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.559 16.949 0.691 1.00 0.00 H new ATOM 580 N LYS A 42 0.487 15.169 2.055 1.00 0.00 N ATOM 581 CA LYS A 42 1.057 14.142 2.920 1.00 0.00 C ATOM 582 C LYS A 42 0.574 12.755 2.509 1.00 0.00 C ATOM 583 O LYS A 42 -0.627 12.521 2.372 1.00 0.00 O ATOM 584 CB LYS A 42 0.684 14.411 4.380 1.00 0.00 C ATOM 585 CG LYS A 42 1.283 13.413 5.355 1.00 0.00 C ATOM 586 CD LYS A 42 1.390 13.995 6.754 1.00 0.00 C ATOM 587 CE LYS A 42 2.594 14.916 6.884 1.00 0.00 C ATOM 588 NZ LYS A 42 3.871 14.153 6.955 1.00 0.00 N ATOM 0 H LYS A 42 -0.506 15.049 1.856 1.00 0.00 H new ATOM 0 HA LYS A 42 2.141 14.176 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.014 15.414 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.401 14.395 4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.668 12.514 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.272 13.113 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.481 14.548 6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.469 13.186 7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.624 15.596 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.487 15.529 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.643 14.794 7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.784 13.395 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.079 13.737 6.025 1.00 0.00 H new ATOM 602 N ILE A 43 1.516 11.839 2.314 1.00 0.00 N ATOM 603 CA ILE A 43 1.186 10.475 1.921 1.00 0.00 C ATOM 604 C ILE A 43 1.193 9.539 3.125 1.00 0.00 C ATOM 605 O ILE A 43 2.251 9.209 3.661 1.00 0.00 O ATOM 606 CB ILE A 43 2.169 9.940 0.863 1.00 0.00 C ATOM 607 CG1 ILE A 43 2.158 10.837 -0.376 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.817 8.507 0.490 1.00 0.00 C ATOM 609 CD1 ILE A 43 3.322 10.593 -1.309 1.00 0.00 C ATOM 0 H ILE A 43 2.515 12.017 2.422 1.00 0.00 H new ATOM 0 HA ILE A 43 0.184 10.504 1.492 1.00 0.00 H new ATOM 0 HB ILE A 43 3.174 9.949 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.227 10.679 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.169 11.880 -0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.520 8.143 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.872 7.876 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.806 8.475 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.249 11.264 -2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.257 10.779 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.300 9.560 -1.655 1.00 0.00 H new ATOM 621 N ASP A 44 0.006 9.113 3.544 1.00 0.00 N ATOM 622 CA ASP A 44 -0.125 8.212 4.683 1.00 0.00 C ATOM 623 C ASP A 44 -0.657 6.852 4.242 1.00 0.00 C ATOM 624 O ASP A 44 -1.764 6.749 3.716 1.00 0.00 O ATOM 625 CB ASP A 44 -1.053 8.819 5.736 1.00 0.00 C ATOM 626 CG ASP A 44 -0.603 10.197 6.180 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.522 10.311 6.711 1.00 0.00 O ATOM 628 OD2 ASP A 44 -1.374 11.161 5.996 1.00 0.00 O ATOM 0 H ASP A 44 -0.879 9.377 3.112 1.00 0.00 H new ATOM 0 HA ASP A 44 0.864 8.071 5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.063 8.883 5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.097 8.158 6.602 1.00 0.00 H new ATOM 633 N ALA A 45 0.142 5.812 4.458 1.00 0.00 N ATOM 634 CA ALA A 45 -0.249 4.459 4.084 1.00 0.00 C ATOM 635 C ALA A 45 -0.025 3.484 5.235 1.00 0.00 C ATOM 636 O ALA A 45 1.038 3.474 5.856 1.00 0.00 O ATOM 637 CB ALA A 45 0.523 4.008 2.852 1.00 0.00 C ATOM 0 H ALA A 45 1.063 5.881 4.890 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.314 4.467 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.221 2.996 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.310 4.682 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.592 4.023 3.067 1.00 0.00 H new ATOM 643 N LYS A 46 -1.034 2.666 5.517 1.00 0.00 N ATOM 644 CA LYS A 46 -0.948 1.687 6.593 1.00 0.00 C ATOM 645 C LYS A 46 -1.854 0.492 6.316 1.00 0.00 C ATOM 646 O LYS A 46 -2.898 0.627 5.677 1.00 0.00 O ATOM 647 CB LYS A 46 -1.330 2.331 7.928 1.00 0.00 C ATOM 648 CG LYS A 46 -0.507 3.562 8.267 1.00 0.00 C ATOM 649 CD LYS A 46 -0.975 4.207 9.561 1.00 0.00 C ATOM 650 CE LYS A 46 -0.529 3.407 10.775 1.00 0.00 C ATOM 651 NZ LYS A 46 -0.771 4.147 12.045 1.00 0.00 N ATOM 0 H LYS A 46 -1.921 2.662 5.014 1.00 0.00 H new ATOM 0 HA LYS A 46 0.082 1.335 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.385 2.605 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.212 1.595 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.543 3.285 8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.578 4.284 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.580 5.221 9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.062 4.288 9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.063 2.457 10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.532 3.174 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.454 3.569 12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.241 5.042 12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.787 4.347 12.142 1.00 0.00 H new ATOM 665 N VAL A 47 -1.450 -0.677 6.801 1.00 0.00 N ATOM 666 CA VAL A 47 -2.227 -1.895 6.608 1.00 0.00 C ATOM 667 C VAL A 47 -3.114 -2.179 7.815 1.00 0.00 C ATOM 668 O VAL A 47 -2.624 -2.374 8.927 1.00 0.00 O ATOM 669 CB VAL A 47 -1.313 -3.110 6.359 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.581 -3.498 7.635 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.121 -4.282 5.821 1.00 0.00 C ATOM 0 H VAL A 47 -0.588 -0.806 7.331 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.854 -1.735 5.731 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.569 -2.836 5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.060 -4.358 7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.029 -2.660 7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.306 -3.754 8.407 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.460 -5.132 5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.888 -4.558 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.595 -3.997 4.882 1.00 0.00 H new ATOM 681 N HIS A 48 -4.424 -2.201 7.587 1.00 0.00 N ATOM 682 CA HIS A 48 -5.381 -2.462 8.656 1.00 0.00 C ATOM 683 C HIS A 48 -5.928 -3.883 8.561 1.00 0.00 C ATOM 684 O HIS A 48 -5.619 -4.616 7.621 1.00 0.00 O ATOM 685 CB HIS A 48 -6.531 -1.456 8.597 1.00 0.00 C ATOM 686 CG HIS A 48 -6.086 -0.031 8.718 1.00 0.00 C ATOM 687 ND1 HIS A 48 -6.176 0.689 9.891 1.00 0.00 N ATOM 688 CD2 HIS A 48 -5.543 0.808 7.804 1.00 0.00 C ATOM 689 CE1 HIS A 48 -5.710 1.909 9.693 1.00 0.00 C ATOM 690 NE2 HIS A 48 -5.319 2.007 8.435 1.00 0.00 N ATOM 0 H HIS A 48 -4.846 -2.041 6.672 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.862 -2.354 9.608 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.066 -1.582 7.656 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.238 -1.677 9.397 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -6.545 0.335 10.774 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.327 0.577 6.771 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.658 2.693 10.434 1.00 0.00 H new ATOM 698 N SER A 49 -6.742 -4.266 9.539 1.00 0.00 N ATOM 699 CA SER A 49 -7.328 -5.601 9.568 1.00 0.00 C ATOM 700 C SER A 49 -8.677 -5.587 10.280 1.00 0.00 C ATOM 701 O SER A 49 -8.960 -4.724 11.111 1.00 0.00 O ATOM 702 CB SER A 49 -6.382 -6.582 10.263 1.00 0.00 C ATOM 703 OG SER A 49 -5.259 -6.871 9.449 1.00 0.00 O ATOM 0 H SER A 49 -7.011 -3.671 10.322 1.00 0.00 H new ATOM 0 HA SER A 49 -7.483 -5.925 8.539 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.049 -6.161 11.211 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.915 -7.504 10.494 1.00 0.00 H new ATOM 0 HG SER A 49 -5.272 -6.294 8.657 1.00 0.00 H new ATOM 709 N PRO A 50 -9.531 -6.566 9.948 1.00 0.00 N ATOM 710 CA PRO A 50 -10.865 -6.690 10.544 1.00 0.00 C ATOM 711 C PRO A 50 -10.808 -7.103 12.011 1.00 0.00 C ATOM 712 O PRO A 50 -11.778 -6.936 12.750 1.00 0.00 O ATOM 713 CB PRO A 50 -11.528 -7.785 9.705 1.00 0.00 C ATOM 714 CG PRO A 50 -10.395 -8.593 9.173 1.00 0.00 C ATOM 715 CD PRO A 50 -9.260 -7.629 8.965 1.00 0.00 C ATOM 0 HA PRO A 50 -11.405 -5.743 10.536 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.200 -8.395 10.309 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.124 -7.359 8.898 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.115 -9.380 9.873 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.669 -9.081 8.238 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.294 -8.102 9.141 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.244 -7.240 7.947 1.00 0.00 H new ATOM 723 N SER A 51 -9.666 -7.643 12.425 1.00 0.00 N ATOM 724 CA SER A 51 -9.485 -8.083 13.803 1.00 0.00 C ATOM 725 C SER A 51 -9.293 -6.890 14.734 1.00 0.00 C ATOM 726 O SER A 51 -9.548 -6.977 15.934 1.00 0.00 O ATOM 727 CB SER A 51 -8.283 -9.023 13.906 1.00 0.00 C ATOM 728 OG SER A 51 -7.073 -8.338 13.632 1.00 0.00 O ATOM 0 H SER A 51 -8.853 -7.786 11.826 1.00 0.00 H new ATOM 0 HA SER A 51 -10.384 -8.619 14.108 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.241 -9.456 14.905 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.403 -9.849 13.206 1.00 0.00 H new ATOM 0 HG SER A 51 -6.320 -8.961 13.706 1.00 0.00 H new ATOM 734 N GLY A 52 -8.840 -5.774 14.170 1.00 0.00 N ATOM 735 CA GLY A 52 -8.620 -4.578 14.962 1.00 0.00 C ATOM 736 C GLY A 52 -7.148 -4.281 15.168 1.00 0.00 C ATOM 737 O GLY A 52 -6.758 -3.722 16.193 1.00 0.00 O ATOM 0 H GLY A 52 -8.621 -5.677 13.178 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.093 -3.728 14.470 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.103 -4.695 15.932 1.00 0.00 H new ATOM 741 N ALA A 53 -6.328 -4.657 14.192 1.00 0.00 N ATOM 742 CA ALA A 53 -4.891 -4.427 14.271 1.00 0.00 C ATOM 743 C ALA A 53 -4.428 -3.465 13.182 1.00 0.00 C ATOM 744 O ALA A 53 -4.895 -3.529 12.044 1.00 0.00 O ATOM 745 CB ALA A 53 -4.139 -5.746 14.167 1.00 0.00 C ATOM 0 H ALA A 53 -6.634 -5.122 13.338 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.674 -3.972 15.237 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.067 -5.559 14.227 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.440 -6.402 14.984 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.371 -6.223 13.215 1.00 0.00 H new ATOM 751 N VAL A 54 -3.508 -2.574 13.537 1.00 0.00 N ATOM 752 CA VAL A 54 -2.982 -1.599 12.590 1.00 0.00 C ATOM 753 C VAL A 54 -1.460 -1.658 12.528 1.00 0.00 C ATOM 754 O VAL A 54 -0.782 -1.504 13.543 1.00 0.00 O ATOM 755 CB VAL A 54 -3.415 -0.168 12.959 1.00 0.00 C ATOM 756 CG1 VAL A 54 -2.861 0.833 11.956 1.00 0.00 C ATOM 757 CG2 VAL A 54 -4.931 -0.073 13.038 1.00 0.00 C ATOM 0 H VAL A 54 -3.111 -2.507 14.474 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.392 -1.854 11.613 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.008 0.074 13.941 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.177 1.839 12.233 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.772 0.782 11.955 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.236 0.596 10.960 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.219 0.945 13.300 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.363 -0.335 12.072 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.300 -0.761 13.799 1.00 0.00 H new ATOM 767 N GLU A 55 -0.930 -1.883 11.330 1.00 0.00 N ATOM 768 CA GLU A 55 0.513 -1.963 11.136 1.00 0.00 C ATOM 769 C GLU A 55 0.994 -0.881 10.173 1.00 0.00 C ATOM 770 O GLU A 55 0.350 -0.608 9.160 1.00 0.00 O ATOM 771 CB GLU A 55 0.903 -3.344 10.606 1.00 0.00 C ATOM 772 CG GLU A 55 1.205 -4.353 11.701 1.00 0.00 C ATOM 773 CD GLU A 55 1.748 -5.660 11.156 1.00 0.00 C ATOM 774 OE1 GLU A 55 2.807 -5.631 10.493 1.00 0.00 O ATOM 775 OE2 GLU A 55 1.116 -6.710 11.391 1.00 0.00 O ATOM 0 H GLU A 55 -1.478 -2.013 10.480 1.00 0.00 H new ATOM 0 HA GLU A 55 0.993 -1.804 12.102 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.094 -3.727 9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.778 -3.244 9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.928 -3.925 12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.296 -4.550 12.269 1.00 0.00 H new ATOM 782 N GLU A 56 2.129 -0.270 10.497 1.00 0.00 N ATOM 783 CA GLU A 56 2.694 0.783 9.661 1.00 0.00 C ATOM 784 C GLU A 56 3.432 0.189 8.464 1.00 0.00 C ATOM 785 O GLU A 56 4.141 -0.810 8.591 1.00 0.00 O ATOM 786 CB GLU A 56 3.647 1.657 10.479 1.00 0.00 C ATOM 787 CG GLU A 56 2.981 2.879 11.089 1.00 0.00 C ATOM 788 CD GLU A 56 3.943 3.724 11.900 1.00 0.00 C ATOM 789 OE1 GLU A 56 4.961 4.173 11.333 1.00 0.00 O ATOM 790 OE2 GLU A 56 3.678 3.937 13.102 1.00 0.00 O ATOM 0 H GLU A 56 2.675 -0.486 11.331 1.00 0.00 H new ATOM 0 HA GLU A 56 1.874 1.399 9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.084 1.056 11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.467 1.982 9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.550 3.488 10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.158 2.559 11.727 1.00 0.00 H new ATOM 797 N CYS A 57 3.258 0.811 7.303 1.00 0.00 N ATOM 798 CA CYS A 57 3.906 0.344 6.082 1.00 0.00 C ATOM 799 C CYS A 57 5.072 1.252 5.704 1.00 0.00 C ATOM 800 O CYS A 57 4.952 2.477 5.729 1.00 0.00 O ATOM 801 CB CYS A 57 2.896 0.286 4.935 1.00 0.00 C ATOM 802 SG CYS A 57 1.490 -0.808 5.243 1.00 0.00 S ATOM 0 H CYS A 57 2.675 1.639 7.181 1.00 0.00 H new ATOM 0 HA CYS A 57 4.294 -0.658 6.266 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.524 1.292 4.742 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.408 -0.044 4.031 1.00 0.00 H new ATOM 0 HG CYS A 57 0.691 -0.788 4.217 1.00 0.00 H new ATOM 808 N HIS A 58 6.201 0.642 5.356 1.00 0.00 N ATOM 809 CA HIS A 58 7.390 1.395 4.973 1.00 0.00 C ATOM 810 C HIS A 58 7.095 2.313 3.791 1.00 0.00 C ATOM 811 O HIS A 58 6.853 1.848 2.677 1.00 0.00 O ATOM 812 CB HIS A 58 8.532 0.441 4.621 1.00 0.00 C ATOM 813 CG HIS A 58 9.864 1.117 4.513 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.894 0.630 3.735 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.332 2.249 5.088 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.938 1.433 3.838 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.623 2.424 4.653 1.00 0.00 N ATOM 0 H HIS A 58 6.317 -0.371 5.331 1.00 0.00 H new ATOM 0 HA HIS A 58 7.689 2.010 5.822 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.590 -0.339 5.380 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.305 -0.051 3.675 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.791 2.895 5.764 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.888 1.302 3.341 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.238 3.194 4.916 1.00 0.00 H new ATOM 825 N VAL A 59 7.116 3.618 4.041 1.00 0.00 N ATOM 826 CA VAL A 59 6.851 4.601 2.997 1.00 0.00 C ATOM 827 C VAL A 59 8.147 5.211 2.475 1.00 0.00 C ATOM 828 O VAL A 59 8.775 6.029 3.147 1.00 0.00 O ATOM 829 CB VAL A 59 5.935 5.729 3.508 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.574 6.679 2.376 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.682 5.149 4.148 1.00 0.00 C ATOM 0 H VAL A 59 7.314 4.019 4.958 1.00 0.00 H new ATOM 0 HA VAL A 59 6.348 4.074 2.186 1.00 0.00 H new ATOM 0 HB VAL A 59 6.475 6.295 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.927 7.469 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.483 7.120 1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.053 6.129 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.046 5.960 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.138 4.557 3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.963 4.514 4.988 1.00 0.00 H new ATOM 841 N SER A 60 8.542 4.807 1.272 1.00 0.00 N ATOM 842 CA SER A 60 9.766 5.311 0.660 1.00 0.00 C ATOM 843 C SER A 60 9.449 6.360 -0.402 1.00 0.00 C ATOM 844 O SER A 60 8.408 6.303 -1.055 1.00 0.00 O ATOM 845 CB SER A 60 10.561 4.162 0.038 1.00 0.00 C ATOM 846 OG SER A 60 11.843 4.597 -0.380 1.00 0.00 O ATOM 0 H SER A 60 8.032 4.132 0.702 1.00 0.00 H new ATOM 0 HA SER A 60 10.368 5.778 1.439 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.666 3.354 0.762 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.015 3.757 -0.814 1.00 0.00 H new ATOM 0 HG SER A 60 12.332 3.844 -0.773 1.00 0.00 H new ATOM 852 N GLU A 61 10.357 7.317 -0.569 1.00 0.00 N ATOM 853 CA GLU A 61 10.175 8.379 -1.551 1.00 0.00 C ATOM 854 C GLU A 61 11.334 8.407 -2.543 1.00 0.00 C ATOM 855 O GLU A 61 12.379 9.002 -2.277 1.00 0.00 O ATOM 856 CB GLU A 61 10.054 9.735 -0.852 1.00 0.00 C ATOM 857 CG GLU A 61 10.029 10.914 -1.811 1.00 0.00 C ATOM 858 CD GLU A 61 10.105 12.249 -1.096 1.00 0.00 C ATOM 859 OE1 GLU A 61 9.533 12.363 0.009 1.00 0.00 O ATOM 860 OE2 GLU A 61 10.735 13.179 -1.640 1.00 0.00 O ATOM 0 H GLU A 61 11.225 7.378 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 61 9.255 8.178 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.144 9.745 -0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.890 9.855 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.865 10.830 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.116 10.875 -2.405 1.00 0.00 H new ATOM 867 N LEU A 62 11.142 7.760 -3.687 1.00 0.00 N ATOM 868 CA LEU A 62 12.170 7.709 -4.720 1.00 0.00 C ATOM 869 C LEU A 62 12.221 9.018 -5.503 1.00 0.00 C ATOM 870 O LEU A 62 13.293 9.579 -5.723 1.00 0.00 O ATOM 871 CB LEU A 62 11.908 6.542 -5.673 1.00 0.00 C ATOM 872 CG LEU A 62 11.437 5.240 -5.024 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.032 4.230 -6.087 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.524 4.666 -4.127 1.00 0.00 C ATOM 0 H LEU A 62 10.283 7.263 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 62 13.133 7.561 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.159 6.854 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.824 6.338 -6.227 1.00 0.00 H new ATOM 0 HG LEU A 62 10.565 5.459 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.700 3.310 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.220 4.640 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.886 4.016 -6.730 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.170 3.740 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.416 4.463 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.766 5.384 -3.343 1.00 0.00 H new ATOM 886 N GLU A 63 11.053 9.498 -5.918 1.00 0.00 N ATOM 887 CA GLU A 63 10.964 10.741 -6.675 1.00 0.00 C ATOM 888 C GLU A 63 9.786 11.586 -6.199 1.00 0.00 C ATOM 889 O GLU A 63 8.816 11.081 -5.634 1.00 0.00 O ATOM 890 CB GLU A 63 10.822 10.445 -8.170 1.00 0.00 C ATOM 891 CG GLU A 63 9.829 9.338 -8.479 1.00 0.00 C ATOM 892 CD GLU A 63 10.108 8.657 -9.805 1.00 0.00 C ATOM 893 OE1 GLU A 63 10.545 9.349 -10.748 1.00 0.00 O ATOM 894 OE2 GLU A 63 9.891 7.431 -9.899 1.00 0.00 O ATOM 0 H GLU A 63 10.156 9.045 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 63 11.883 11.303 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.511 11.355 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.797 10.169 -8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.858 8.596 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.821 9.753 -8.493 1.00 0.00 H new ATOM 901 N PRO A 64 9.872 12.904 -6.431 1.00 0.00 N ATOM 902 CA PRO A 64 8.823 13.848 -6.034 1.00 0.00 C ATOM 903 C PRO A 64 7.553 13.685 -6.862 1.00 0.00 C ATOM 904 O PRO A 64 6.582 14.419 -6.678 1.00 0.00 O ATOM 905 CB PRO A 64 9.459 15.215 -6.293 1.00 0.00 C ATOM 906 CG PRO A 64 10.480 14.964 -7.348 1.00 0.00 C ATOM 907 CD PRO A 64 10.999 13.575 -7.099 1.00 0.00 C ATOM 0 HA PRO A 64 8.509 13.698 -5.001 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.716 15.940 -6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.915 15.617 -5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.041 15.044 -8.343 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.285 15.697 -7.294 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.270 13.075 -8.029 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.890 13.586 -6.471 1.00 0.00 H new ATOM 915 N ASP A 65 7.567 12.719 -7.774 1.00 0.00 N ATOM 916 CA ASP A 65 6.415 12.459 -8.630 1.00 0.00 C ATOM 917 C ASP A 65 5.891 11.042 -8.420 1.00 0.00 C ATOM 918 O ASP A 65 4.902 10.637 -9.031 1.00 0.00 O ATOM 919 CB ASP A 65 6.788 12.665 -10.099 1.00 0.00 C ATOM 920 CG ASP A 65 6.635 14.108 -10.538 1.00 0.00 C ATOM 921 OD1 ASP A 65 7.600 14.884 -10.372 1.00 0.00 O ATOM 922 OD2 ASP A 65 5.551 14.463 -11.047 1.00 0.00 O ATOM 0 H ASP A 65 8.363 12.103 -7.940 1.00 0.00 H new ATOM 0 HA ASP A 65 5.627 13.162 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.819 12.347 -10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.159 12.030 -10.723 1.00 0.00 H new ATOM 927 N LYS A 66 6.560 10.292 -7.551 1.00 0.00 N ATOM 928 CA LYS A 66 6.162 8.920 -7.258 1.00 0.00 C ATOM 929 C LYS A 66 6.630 8.502 -5.868 1.00 0.00 C ATOM 930 O LYS A 66 7.612 9.034 -5.347 1.00 0.00 O ATOM 931 CB LYS A 66 6.735 7.966 -8.309 1.00 0.00 C ATOM 932 CG LYS A 66 6.368 6.511 -8.074 1.00 0.00 C ATOM 933 CD LYS A 66 6.817 5.630 -9.228 1.00 0.00 C ATOM 934 CE LYS A 66 5.738 5.513 -10.293 1.00 0.00 C ATOM 935 NZ LYS A 66 5.863 4.252 -11.074 1.00 0.00 N ATOM 0 H LYS A 66 7.381 10.611 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 66 5.073 8.870 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.378 8.267 -9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.821 8.061 -8.320 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.828 6.163 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.289 6.423 -7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.723 6.043 -9.671 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.069 4.638 -8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.756 5.552 -9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.801 6.366 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.109 4.211 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.790 4.226 -11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.778 3.437 -10.434 1.00 0.00 H new ATOM 949 N TYR A 67 5.924 7.548 -5.273 1.00 0.00 N ATOM 950 CA TYR A 67 6.267 7.060 -3.942 1.00 0.00 C ATOM 951 C TYR A 67 6.069 5.550 -3.848 1.00 0.00 C ATOM 952 O TYR A 67 5.202 4.984 -4.513 1.00 0.00 O ATOM 953 CB TYR A 67 5.417 7.764 -2.883 1.00 0.00 C ATOM 954 CG TYR A 67 5.774 9.221 -2.691 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.531 10.154 -3.692 1.00 0.00 C ATOM 956 CD2 TYR A 67 6.355 9.665 -1.510 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.855 11.486 -3.522 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.682 10.995 -1.330 1.00 0.00 C ATOM 959 CZ TYR A 67 6.430 11.901 -2.339 1.00 0.00 C ATOM 960 OH TYR A 67 6.755 13.227 -2.165 1.00 0.00 O ATOM 0 H TYR A 67 5.110 7.097 -5.691 1.00 0.00 H new ATOM 0 HA TYR A 67 7.319 7.282 -3.761 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.366 7.690 -3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.530 7.242 -1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.081 9.832 -4.619 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.555 8.958 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.659 12.198 -4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.132 11.323 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 67 7.150 13.353 -1.277 1.00 0.00 H new ATOM 970 N ALA A 68 6.879 4.905 -3.016 1.00 0.00 N ATOM 971 CA ALA A 68 6.793 3.461 -2.831 1.00 0.00 C ATOM 972 C ALA A 68 6.364 3.115 -1.409 1.00 0.00 C ATOM 973 O ALA A 68 6.743 3.792 -0.453 1.00 0.00 O ATOM 974 CB ALA A 68 8.127 2.807 -3.157 1.00 0.00 C ATOM 0 H ALA A 68 7.603 5.359 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 68 6.036 3.076 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.048 1.729 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.392 3.018 -4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.898 3.205 -2.497 1.00 0.00 H new ATOM 980 N VAL A 69 5.571 2.056 -1.277 1.00 0.00 N ATOM 981 CA VAL A 69 5.091 1.619 0.029 1.00 0.00 C ATOM 982 C VAL A 69 5.228 0.109 0.188 1.00 0.00 C ATOM 983 O VAL A 69 4.515 -0.660 -0.457 1.00 0.00 O ATOM 984 CB VAL A 69 3.619 2.016 0.247 1.00 0.00 C ATOM 985 CG1 VAL A 69 3.184 1.696 1.669 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.413 3.491 -0.063 1.00 0.00 C ATOM 0 H VAL A 69 5.248 1.485 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 69 5.709 2.117 0.776 1.00 0.00 H new ATOM 0 HB VAL A 69 3.000 1.435 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.141 1.984 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.292 0.627 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.807 2.248 2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.367 3.754 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.042 4.092 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.682 3.686 -1.101 1.00 0.00 H new ATOM 996 N ARG A 70 6.148 -0.308 1.051 1.00 0.00 N ATOM 997 CA ARG A 70 6.379 -1.727 1.295 1.00 0.00 C ATOM 998 C ARG A 70 5.575 -2.210 2.498 1.00 0.00 C ATOM 999 O ARG A 70 5.526 -1.544 3.533 1.00 0.00 O ATOM 1000 CB ARG A 70 7.868 -1.991 1.523 1.00 0.00 C ATOM 1001 CG ARG A 70 8.315 -3.377 1.087 1.00 0.00 C ATOM 1002 CD ARG A 70 9.558 -3.824 1.841 1.00 0.00 C ATOM 1003 NE ARG A 70 10.765 -3.170 1.344 1.00 0.00 N ATOM 1004 CZ ARG A 70 11.365 -3.500 0.206 1.00 0.00 C ATOM 1005 NH1 ARG A 70 10.871 -4.472 -0.549 1.00 0.00 N ATOM 1006 NH2 ARG A 70 12.460 -2.858 -0.179 1.00 0.00 N ATOM 0 H ARG A 70 6.746 0.316 1.593 1.00 0.00 H new ATOM 0 HA ARG A 70 6.050 -2.280 0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.448 -1.244 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.093 -1.862 2.582 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.509 -4.091 1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.519 -3.375 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.437 -3.604 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.668 -4.905 1.750 1.00 0.00 H new ATOM 0 HE ARG A 70 11.170 -2.418 1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.029 -4.967 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.333 -4.724 -1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.842 -2.110 0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.920 -3.113 -1.053 1.00 0.00 H new ATOM 1020 N PHE A 71 4.946 -3.372 2.355 1.00 0.00 N ATOM 1021 CA PHE A 71 4.143 -3.943 3.430 1.00 0.00 C ATOM 1022 C PHE A 71 3.949 -5.443 3.225 1.00 0.00 C ATOM 1023 O PHE A 71 4.130 -5.958 2.121 1.00 0.00 O ATOM 1024 CB PHE A 71 2.782 -3.248 3.504 1.00 0.00 C ATOM 1025 CG PHE A 71 1.771 -3.805 2.543 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.021 -4.921 2.876 1.00 0.00 C ATOM 1027 CD2 PHE A 71 1.569 -3.212 1.307 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.090 -5.436 1.994 1.00 0.00 C ATOM 1029 CE2 PHE A 71 0.640 -3.722 0.420 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.101 -4.835 0.765 1.00 0.00 C ATOM 0 H PHE A 71 4.977 -3.936 1.506 1.00 0.00 H new ATOM 0 HA PHE A 71 4.674 -3.787 4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.393 -3.335 4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.915 -2.185 3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.165 -5.394 3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.145 -2.340 1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.488 -6.307 2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.494 -3.251 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.829 -5.235 0.075 1.00 0.00 H new ATOM 1040 N ILE A 72 3.581 -6.138 4.296 1.00 0.00 N ATOM 1041 CA ILE A 72 3.362 -7.577 4.235 1.00 0.00 C ATOM 1042 C ILE A 72 1.900 -7.923 4.498 1.00 0.00 C ATOM 1043 O ILE A 72 1.383 -7.742 5.600 1.00 0.00 O ATOM 1044 CB ILE A 72 4.246 -8.325 5.250 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.725 -8.058 4.965 1.00 0.00 C ATOM 1046 CG2 ILE A 72 3.953 -9.817 5.209 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.663 -8.810 5.884 1.00 0.00 C ATOM 0 H ILE A 72 3.428 -5.727 5.217 1.00 0.00 H new ATOM 0 HA ILE A 72 3.632 -7.894 3.228 1.00 0.00 H new ATOM 0 HB ILE A 72 4.017 -7.957 6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.943 -8.332 3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.917 -6.989 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.586 -10.332 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.905 -9.989 5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.158 -10.201 4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.695 -8.573 5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.472 -8.518 6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.498 -9.882 5.774 1.00 0.00 H new ATOM 1059 N PRO A 73 1.218 -8.435 3.463 1.00 0.00 N ATOM 1060 CA PRO A 73 -0.194 -8.820 3.559 1.00 0.00 C ATOM 1061 C PRO A 73 -0.401 -10.053 4.432 1.00 0.00 C ATOM 1062 O PRO A 73 -0.410 -11.181 3.938 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.578 -9.122 2.108 1.00 0.00 C ATOM 1064 CG PRO A 73 0.704 -9.496 1.447 1.00 0.00 C ATOM 1065 CD PRO A 73 1.771 -8.679 2.121 1.00 0.00 C ATOM 0 HA PRO A 73 -0.799 -8.040 4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.304 -9.933 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.032 -8.254 1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.902 -10.562 1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.668 -9.285 0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.718 -9.216 2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.959 -7.747 1.589 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.566 -9.831 5.732 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.774 -10.924 6.674 1.00 0.00 C ATOM 1075 C HIS A 74 -2.077 -10.737 7.445 1.00 0.00 C ATOM 1076 O HIS A 74 -2.159 -9.907 8.350 1.00 0.00 O ATOM 1077 CB HIS A 74 0.400 -11.017 7.649 1.00 0.00 C ATOM 1078 CG HIS A 74 1.011 -9.689 7.977 1.00 0.00 C ATOM 1079 ND1 HIS A 74 2.369 -9.502 8.127 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.441 -8.479 8.183 1.00 0.00 C ATOM 1081 CE1 HIS A 74 2.608 -8.235 8.412 1.00 0.00 C ATOM 1082 NE2 HIS A 74 1.455 -7.592 8.452 1.00 0.00 N ATOM 0 H HIS A 74 -0.560 -8.904 6.157 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.839 -11.852 6.106 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.060 -11.489 8.571 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.166 -11.665 7.223 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.614 -8.253 8.143 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.581 -7.799 8.583 1.00 0.00 H new ATOM 0 HE2 HIS A 74 1.337 -6.598 8.650 1.00 0.00 H new ATOM 1090 N GLU A 75 -3.093 -11.512 7.080 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.392 -11.429 7.737 1.00 0.00 C ATOM 1092 C GLU A 75 -5.061 -12.800 7.796 1.00 0.00 C ATOM 1093 O GLU A 75 -4.626 -13.743 7.136 1.00 0.00 O ATOM 1094 CB GLU A 75 -5.298 -10.439 7.002 1.00 0.00 C ATOM 1095 CG GLU A 75 -6.314 -9.759 7.904 1.00 0.00 C ATOM 1096 CD GLU A 75 -7.610 -10.538 8.014 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -8.192 -10.873 6.961 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -8.043 -10.812 9.153 1.00 0.00 O ATOM 0 H GLU A 75 -3.042 -12.205 6.333 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.233 -11.077 8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.680 -9.678 6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.826 -10.964 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.885 -9.633 8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.526 -8.761 7.519 1.00 0.00 H new ATOM 1105 N ASN A 76 -6.121 -12.901 8.592 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.849 -14.155 8.739 1.00 0.00 C ATOM 1107 C ASN A 76 -8.017 -14.224 7.760 1.00 0.00 C ATOM 1108 O ASN A 76 -8.941 -15.018 7.933 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.361 -14.307 10.172 1.00 0.00 C ATOM 1110 CG ASN A 76 -7.651 -12.970 10.827 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -6.749 -12.315 11.351 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -8.913 -12.560 10.801 1.00 0.00 N ATOM 0 H ASN A 76 -6.494 -12.129 9.145 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.163 -14.972 8.517 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.268 -14.911 10.169 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.621 -14.846 10.764 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.169 -11.669 11.226 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.627 -13.136 10.355 1.00 0.00 H new ATOM 1119 N GLY A 77 -7.969 -13.386 6.729 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.028 -13.367 5.737 1.00 0.00 C ATOM 1121 C GLY A 77 -8.877 -12.227 4.749 1.00 0.00 C ATOM 1122 O GLY A 77 -8.078 -12.305 3.817 1.00 0.00 O ATOM 0 H GLY A 77 -7.215 -12.719 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.032 -14.314 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.991 -13.283 6.240 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.650 -11.164 4.953 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.600 -10.003 4.073 1.00 0.00 C ATOM 1128 C VAL A 78 -8.836 -8.854 4.722 1.00 0.00 C ATOM 1129 O VAL A 78 -8.963 -8.610 5.922 1.00 0.00 O ATOM 1130 CB VAL A 78 -11.014 -9.519 3.701 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.940 -8.337 2.746 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.823 -10.656 3.093 1.00 0.00 C ATOM 0 H VAL A 78 -10.318 -11.084 5.720 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.081 -10.315 3.167 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.518 -9.190 4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.949 -8.009 2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.400 -7.518 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.418 -8.636 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.819 -10.297 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.324 -11.017 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.905 -11.470 3.814 1.00 0.00 H new ATOM 1142 N HIS A 79 -8.042 -8.151 3.920 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.257 -7.026 4.416 1.00 0.00 C ATOM 1144 C HIS A 79 -7.875 -5.700 3.982 1.00 0.00 C ATOM 1145 O HIS A 79 -8.625 -5.641 3.008 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.817 -7.120 3.912 1.00 0.00 C ATOM 1147 CG HIS A 79 -5.254 -8.507 3.963 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -4.008 -8.796 4.477 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.777 -9.690 3.561 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.787 -10.095 4.387 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.845 -10.661 3.835 1.00 0.00 N ATOM 0 H HIS A 79 -7.925 -8.340 2.925 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.256 -7.067 5.505 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.776 -6.758 2.885 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.188 -6.459 4.509 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.358 -8.113 4.866 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.746 -9.842 3.109 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.893 -10.607 4.710 1.00 0.00 H new ATOM 1159 N THR A 80 -7.555 -4.636 4.713 1.00 0.00 N ATOM 1160 CA THR A 80 -8.079 -3.312 4.405 1.00 0.00 C ATOM 1161 C THR A 80 -6.956 -2.285 4.306 1.00 0.00 C ATOM 1162 O THR A 80 -6.343 -1.924 5.311 1.00 0.00 O ATOM 1163 CB THR A 80 -9.092 -2.847 5.469 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.006 -3.907 5.771 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.862 -1.628 4.987 1.00 0.00 C ATOM 0 H THR A 80 -6.935 -4.666 5.523 1.00 0.00 H new ATOM 0 HA THR A 80 -8.584 -3.388 3.442 1.00 0.00 H new ATOM 0 HB THR A 80 -8.541 -2.575 6.369 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.645 -3.604 6.449 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.571 -1.318 5.755 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.166 -0.814 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.402 -1.877 4.074 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.693 -1.820 3.090 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.644 -0.833 2.861 1.00 0.00 C ATOM 1175 C ILE A 81 -6.154 0.581 3.119 1.00 0.00 C ATOM 1176 O ILE A 81 -7.216 0.967 2.630 1.00 0.00 O ATOM 1177 CB ILE A 81 -5.098 -0.915 1.424 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.543 -2.314 1.145 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -4.024 0.139 1.204 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -4.288 -2.582 -0.322 1.00 0.00 C ATOM 0 H ILE A 81 -7.191 -2.110 2.248 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.839 -1.060 3.560 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.916 -0.723 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.612 -2.443 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.244 -3.057 1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.648 0.068 0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.448 1.130 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.205 -0.024 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.896 -3.592 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.221 -2.485 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.563 -1.862 -0.703 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.390 1.348 3.889 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.763 2.721 4.209 1.00 0.00 C ATOM 1194 C ASP A 82 -4.832 3.712 3.518 1.00 0.00 C ATOM 1195 O ASP A 82 -3.638 3.767 3.813 1.00 0.00 O ATOM 1196 CB ASP A 82 -5.730 2.941 5.723 1.00 0.00 C ATOM 1197 CG ASP A 82 -6.004 4.382 6.104 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -5.395 5.285 5.492 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -6.828 4.608 7.015 1.00 0.00 O ATOM 0 H ASP A 82 -4.509 1.043 4.303 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.777 2.890 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.470 2.296 6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.755 2.645 6.109 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.386 4.494 2.597 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.606 5.483 1.863 1.00 0.00 C ATOM 1206 C VAL A 83 -5.230 6.869 1.976 1.00 0.00 C ATOM 1207 O VAL A 83 -6.234 7.165 1.327 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.480 5.108 0.375 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.701 6.173 -0.381 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.821 3.745 0.223 1.00 0.00 C ATOM 0 H VAL A 83 -6.373 4.462 2.341 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.612 5.498 2.311 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.481 5.052 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.623 5.890 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.219 7.129 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.702 6.265 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.740 3.496 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.826 3.770 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.424 2.991 0.728 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.630 7.717 2.804 1.00 0.00 N ATOM 1221 CA LYS A 84 -5.125 9.074 3.001 1.00 0.00 C ATOM 1222 C LYS A 84 -4.107 10.101 2.515 1.00 0.00 C ATOM 1223 O LYS A 84 -2.907 9.957 2.745 1.00 0.00 O ATOM 1224 CB LYS A 84 -5.441 9.314 4.480 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.707 8.620 4.952 1.00 0.00 C ATOM 1226 CD LYS A 84 -6.748 8.504 6.466 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.334 9.753 7.105 1.00 0.00 C ATOM 1228 NZ LYS A 84 -6.297 10.796 7.339 1.00 0.00 N ATOM 0 H LYS A 84 -3.799 7.488 3.350 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.038 9.189 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.601 8.969 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.538 10.386 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.578 9.175 4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.765 7.626 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.343 7.636 6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.740 8.338 6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.116 10.157 6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.804 9.490 8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.686 11.541 7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.469 10.366 7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.011 11.211 6.429 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.595 11.138 1.843 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.728 12.190 1.325 1.00 0.00 C ATOM 1244 C PHE A 85 -4.204 13.564 1.786 1.00 0.00 C ATOM 1245 O PHE A 85 -5.170 14.109 1.254 1.00 0.00 O ATOM 1246 CB PHE A 85 -3.686 12.139 -0.204 1.00 0.00 C ATOM 1247 CG PHE A 85 -2.636 13.028 -0.805 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -2.922 14.347 -1.118 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -1.362 12.545 -1.058 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -1.957 15.169 -1.671 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -0.393 13.362 -1.610 1.00 0.00 C ATOM 1252 CZ PHE A 85 -0.692 14.675 -1.918 1.00 0.00 C ATOM 0 H PHE A 85 -5.586 11.273 1.644 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.724 12.023 1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.505 11.112 -0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.662 12.426 -0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.911 14.738 -0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.123 11.519 -0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.193 16.196 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.597 12.974 -1.800 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.063 15.314 -2.351 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.518 14.119 2.780 1.00 0.00 N ATOM 1263 CA ASN A 86 -3.870 15.429 3.315 1.00 0.00 C ATOM 1264 C ASN A 86 -5.168 15.359 4.115 1.00 0.00 C ATOM 1265 O ASN A 86 -5.923 16.328 4.179 1.00 0.00 O ATOM 1266 CB ASN A 86 -4.012 16.445 2.180 1.00 0.00 C ATOM 1267 CG ASN A 86 -3.907 17.876 2.669 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -4.447 18.227 3.718 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -3.210 18.712 1.908 1.00 0.00 N ATOM 0 H ASN A 86 -2.715 13.681 3.231 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.069 15.749 3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.240 16.262 1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.973 16.302 1.686 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.106 19.688 2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.779 18.378 1.046 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.419 14.204 4.724 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.626 14.029 5.512 1.00 0.00 C ATOM 1278 C GLY A 87 -7.848 13.773 4.652 1.00 0.00 C ATOM 1279 O GLY A 87 -8.862 14.457 4.784 1.00 0.00 O ATOM 0 H GLY A 87 -4.809 13.387 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.489 13.195 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.792 14.919 6.119 1.00 0.00 H new ATOM 1283 N SER A 88 -7.751 12.785 3.768 1.00 0.00 N ATOM 1284 CA SER A 88 -8.855 12.444 2.879 1.00 0.00 C ATOM 1285 C SER A 88 -8.546 11.175 2.091 1.00 0.00 C ATOM 1286 O SER A 88 -7.629 11.149 1.269 1.00 0.00 O ATOM 1287 CB SER A 88 -9.139 13.599 1.918 1.00 0.00 C ATOM 1288 OG SER A 88 -10.507 13.633 1.550 1.00 0.00 O ATOM 0 H SER A 88 -6.919 12.207 3.649 1.00 0.00 H new ATOM 0 HA SER A 88 -9.739 12.264 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.862 14.543 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.522 13.494 1.026 1.00 0.00 H new ATOM 0 HG SER A 88 -10.662 14.381 0.937 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.318 10.124 2.347 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.128 8.850 1.661 1.00 0.00 C ATOM 1296 C HIS A 89 -9.314 9.011 0.155 1.00 0.00 C ATOM 1297 O HIS A 89 -10.376 9.427 -0.308 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.107 7.806 2.199 1.00 0.00 C ATOM 1299 CG HIS A 89 -9.905 7.487 3.648 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.015 6.532 4.092 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -10.484 8.005 4.757 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.056 6.474 5.412 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.939 7.358 5.840 1.00 0.00 N ATOM 0 H HIS A 89 -10.081 10.129 3.024 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.109 8.512 1.849 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.126 8.166 2.053 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.006 6.890 1.616 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.234 8.782 4.785 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.468 5.816 6.034 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.178 7.532 6.816 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.275 8.680 -0.604 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.324 8.787 -2.057 1.00 0.00 C ATOM 1313 C VAL A 90 -9.472 7.964 -2.630 1.00 0.00 C ATOM 1314 O VAL A 90 -9.802 6.896 -2.115 1.00 0.00 O ATOM 1315 CB VAL A 90 -7.003 8.323 -2.699 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.843 9.178 -2.213 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.754 6.852 -2.400 1.00 0.00 C ATOM 0 H VAL A 90 -7.388 8.335 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.483 9.839 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.083 8.443 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.919 8.835 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.020 10.219 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.758 9.094 -1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.817 6.541 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.694 6.705 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.572 6.255 -2.803 1.00 0.00 H new ATOM 1327 N VAL A 91 -10.077 8.467 -3.702 1.00 0.00 N ATOM 1328 CA VAL A 91 -11.187 7.778 -4.347 1.00 0.00 C ATOM 1329 C VAL A 91 -10.936 6.276 -4.416 1.00 0.00 C ATOM 1330 O VAL A 91 -9.969 5.825 -5.027 1.00 0.00 O ATOM 1331 CB VAL A 91 -11.428 8.313 -5.771 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -10.120 8.387 -6.543 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -12.440 7.443 -6.503 1.00 0.00 C ATOM 0 H VAL A 91 -9.816 9.350 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.073 7.968 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.836 9.321 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.311 8.767 -7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.430 9.055 -6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.680 7.392 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.598 7.836 -7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.063 6.422 -6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.384 7.447 -5.959 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.816 5.504 -3.784 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.673 4.060 -3.786 1.00 0.00 C ATOM 1345 C GLY A 92 -10.921 3.551 -2.573 1.00 0.00 C ATOM 1346 O GLY A 92 -10.297 2.491 -2.621 1.00 0.00 O ATOM 0 H GLY A 92 -12.625 5.854 -3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.661 3.600 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.149 3.751 -4.691 1.00 0.00 H new ATOM 1350 N SER A 93 -10.980 4.307 -1.481 1.00 0.00 N ATOM 1351 CA SER A 93 -10.295 3.929 -0.251 1.00 0.00 C ATOM 1352 C SER A 93 -11.248 3.980 0.939 1.00 0.00 C ATOM 1353 O SER A 93 -12.165 4.799 0.998 1.00 0.00 O ATOM 1354 CB SER A 93 -9.101 4.852 -0.002 1.00 0.00 C ATOM 1355 OG SER A 93 -8.661 4.766 1.342 1.00 0.00 O ATOM 0 H SER A 93 -11.496 5.185 -1.423 1.00 0.00 H new ATOM 0 HA SER A 93 -9.936 2.906 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.285 4.585 -0.673 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.379 5.881 -0.232 1.00 0.00 H new ATOM 0 HG SER A 93 -8.006 5.474 1.518 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.028 3.082 1.911 1.00 0.00 N ATOM 1362 CA PRO A 94 -9.940 2.102 1.852 1.00 0.00 C ATOM 1363 C PRO A 94 -10.178 1.036 0.787 1.00 0.00 C ATOM 1364 O PRO A 94 -11.315 0.790 0.384 1.00 0.00 O ATOM 1365 CB PRO A 94 -9.951 1.474 3.248 1.00 0.00 C ATOM 1366 CG PRO A 94 -11.347 1.658 3.735 1.00 0.00 C ATOM 1367 CD PRO A 94 -11.824 2.956 3.144 1.00 0.00 C ATOM 0 HA PRO A 94 -8.990 2.564 1.585 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.681 0.419 3.210 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.234 1.963 3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.982 0.830 3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.379 1.690 4.824 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.893 2.932 2.932 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.652 3.793 3.821 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.099 0.406 0.335 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.191 -0.634 -0.683 1.00 0.00 C ATOM 1377 C PHE A 95 -9.414 -2.002 -0.045 1.00 0.00 C ATOM 1378 O PHE A 95 -9.122 -2.205 1.133 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.920 -0.656 -1.535 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.850 0.459 -2.538 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -8.418 0.316 -3.793 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -7.217 1.651 -2.225 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -8.354 1.341 -4.718 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -7.150 2.680 -3.146 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.721 2.525 -4.394 1.00 0.00 C ATOM 0 H PHE A 95 -8.150 0.597 0.658 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.045 -0.408 -1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.052 -0.598 -0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.860 -1.610 -2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.916 -0.607 -4.052 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.771 1.778 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.799 1.216 -5.694 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.652 3.603 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.673 3.328 -5.115 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.934 -2.937 -0.833 1.00 0.00 N ATOM 1396 CA LYS A 96 -10.197 -4.287 -0.348 1.00 0.00 C ATOM 1397 C LYS A 96 -9.444 -5.320 -1.180 1.00 0.00 C ATOM 1398 O LYS A 96 -9.408 -5.236 -2.408 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.698 -4.581 -0.386 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.541 -3.536 0.323 1.00 0.00 C ATOM 1401 CD LYS A 96 -14.025 -3.760 0.085 1.00 0.00 C ATOM 1402 CE LYS A 96 -14.497 -5.066 0.706 1.00 0.00 C ATOM 1403 NZ LYS A 96 -15.979 -5.109 0.847 1.00 0.00 N ATOM 0 H LYS A 96 -10.182 -2.785 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.847 -4.351 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.020 -4.651 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.881 -5.554 0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.335 -3.566 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.261 -2.543 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.592 -2.930 0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.225 -3.772 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.166 -5.902 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.035 -5.190 1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.261 -6.014 1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.293 -4.327 1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.420 -5.016 -0.090 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.846 -6.295 -0.504 1.00 0.00 N ATOM 1418 CA VAL A 97 -8.096 -7.347 -1.182 1.00 0.00 C ATOM 1419 C VAL A 97 -8.263 -8.686 -0.472 1.00 0.00 C ATOM 1420 O VAL A 97 -8.740 -8.743 0.662 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.596 -7.004 -1.262 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -6.350 -5.926 -2.306 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -6.076 -6.569 0.100 1.00 0.00 C ATOM 0 H VAL A 97 -8.866 -6.379 0.512 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.498 -7.422 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.051 -7.899 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.285 -5.697 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.684 -6.281 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.904 -5.027 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.015 -6.331 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.623 -5.688 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.217 -7.377 0.818 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.867 -9.760 -1.146 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.974 -11.099 -0.580 1.00 0.00 C ATOM 1435 C ARG A 98 -6.658 -11.858 -0.728 1.00 0.00 C ATOM 1436 O ARG A 98 -6.157 -12.043 -1.837 1.00 0.00 O ATOM 1437 CB ARG A 98 -9.102 -11.876 -1.262 1.00 0.00 C ATOM 1438 CG ARG A 98 -10.461 -11.672 -0.611 1.00 0.00 C ATOM 1439 CD ARG A 98 -11.588 -11.796 -1.625 1.00 0.00 C ATOM 1440 NE ARG A 98 -12.803 -11.120 -1.178 1.00 0.00 N ATOM 1441 CZ ARG A 98 -13.812 -10.814 -1.984 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -13.753 -11.122 -3.273 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -14.885 -10.198 -1.503 1.00 0.00 N ATOM 0 H ARG A 98 -7.469 -9.729 -2.085 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.200 -11.000 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.160 -11.573 -2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.859 -12.938 -1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.600 -12.407 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.498 -10.688 -0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.267 -11.373 -2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.803 -12.850 -1.801 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.880 -10.869 -0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.931 -11.595 -3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.530 -10.886 -3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.935 -9.959 -0.513 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.660 -9.964 -2.124 1.00 0.00 H new ATOM 1457 N VAL A 99 -6.103 -12.295 0.398 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.847 -13.034 0.394 1.00 0.00 C ATOM 1459 C VAL A 99 -5.085 -14.522 0.162 1.00 0.00 C ATOM 1460 O VAL A 99 -6.088 -15.078 0.607 1.00 0.00 O ATOM 1461 CB VAL A 99 -4.083 -12.849 1.719 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.784 -13.589 2.848 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.644 -13.321 1.574 1.00 0.00 C ATOM 0 H VAL A 99 -6.504 -12.150 1.325 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.247 -12.633 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.070 -11.787 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.230 -13.447 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.795 -13.199 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.830 -14.652 2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.119 -13.183 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.633 -14.377 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.148 -12.742 0.795 1.00 0.00 H new ATOM 1473 N GLY A 100 -4.154 -15.162 -0.540 1.00 0.00 N ATOM 1474 CA GLY A 100 -4.281 -16.581 -0.820 1.00 0.00 C ATOM 1475 C GLY A 100 -3.036 -17.158 -1.463 1.00 0.00 C ATOM 1476 O GLY A 100 -2.382 -16.496 -2.268 1.00 0.00 O ATOM 0 H GLY A 100 -3.315 -14.724 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.488 -17.114 0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.135 -16.744 -1.478 1.00 0.00 H new