USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 ASN :FLIP amide:sc= -1.27 F(o=-3.5!,f=-1.3) USER MOD Single : A 8 SER OG : rot 26:sc= 0.112 USER MOD Single : A 11 ASN : amide:sc= -0.0849 K(o=-0.085,f=-1.3) USER MOD Single : A 15 ASN :FLIP amide:sc= -3.49! C(o=-5.3!,f=-3.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -74:sc= 0.807 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.018 (180deg=-0.312) USER MOD Single : A 35 TYR OH : rot -151:sc= -2.05! USER MOD Single : A 39 SER OG : rot 63:sc= 0.178 USER MOD Single : A 42 MET CE :methyl -171:sc=-0.00291 (180deg=-0.051) USER MOD Single : A 43 MET CE :methyl -171:sc= -2.09! (180deg=-2.21!) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc=-0.00296 (180deg=-0.164) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -1.56 X(o=-1.6,f=-1.8) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0668 USER MOD Single : A 56 ASN :FLIP amide:sc= -2.18! C(o=-7.9!,f=-2.2!) USER MOD Single : A 69 THR OG1 : rot 30:sc= 0.257 USER MOD Single : A 73 HIS : no HD1:sc= -0.425 X(o=-0.42,f=-0.037) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= -0.355 (180deg=-0.881) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 30:sc= 0 USER MOD Single : A 95 MET CE :methyl -159:sc= 0 (180deg=-0.0141) USER MOD Single : A 98 ASN : amide:sc=-0.00645 K(o=-0.0064,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 4 -20.117 -3.295 -4.303 1.00 0.00 N ATOM 42 CA ASP A 4 -18.939 -3.705 -3.485 1.00 0.00 C ATOM 43 C ASP A 4 -17.692 -3.774 -4.371 1.00 0.00 C ATOM 44 O ASP A 4 -17.743 -3.510 -5.555 1.00 0.00 O ATOM 45 CB ASP A 4 -19.201 -5.081 -2.869 1.00 0.00 C ATOM 46 CG ASP A 4 -20.555 -5.074 -2.158 1.00 0.00 C ATOM 47 OD1 ASP A 4 -21.021 -3.997 -1.822 1.00 0.00 O ATOM 48 OD2 ASP A 4 -21.104 -6.146 -1.960 1.00 0.00 O ATOM 0 HA ASP A 4 -18.779 -2.973 -2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -19.190 -5.846 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -18.409 -5.332 -2.163 1.00 0.00 H new ATOM 53 N ASN A 5 -16.570 -4.129 -3.803 1.00 0.00 N ATOM 54 CA ASN A 5 -15.317 -4.221 -4.604 1.00 0.00 C ATOM 55 C ASN A 5 -14.298 -5.065 -3.837 1.00 0.00 C ATOM 56 O ASN A 5 -13.982 -4.792 -2.692 1.00 0.00 O ATOM 57 CB ASN A 5 -14.754 -2.817 -4.841 1.00 0.00 C ATOM 58 CG ASN A 5 -13.442 -2.918 -5.620 1.00 0.00 C ATOM 59 OD1 ASN A 5 -12.430 -3.552 -5.091 1.00 0.00 O flip ATOM 60 ND2 ASN A 5 -13.335 -2.416 -6.721 1.00 0.00 N flip ATOM 0 H ASN A 5 -16.468 -4.360 -2.815 1.00 0.00 H new ATOM 0 HA ASN A 5 -15.527 -4.686 -5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -15.473 -2.214 -5.396 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -14.586 -2.316 -3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.125 -1.921 -7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.455 -2.490 -7.232 1.00 0.00 H new ATOM 67 N GLU A 6 -13.790 -6.098 -4.460 1.00 0.00 N ATOM 68 CA GLU A 6 -12.796 -6.987 -3.784 1.00 0.00 C ATOM 69 C GLU A 6 -11.852 -7.589 -4.832 1.00 0.00 C ATOM 70 O GLU A 6 -12.242 -7.863 -5.950 1.00 0.00 O ATOM 71 CB GLU A 6 -13.549 -8.111 -3.062 1.00 0.00 C ATOM 72 CG GLU A 6 -12.554 -9.108 -2.458 1.00 0.00 C ATOM 73 CD GLU A 6 -13.290 -10.058 -1.509 1.00 0.00 C ATOM 74 OE1 GLU A 6 -14.457 -9.819 -1.248 1.00 0.00 O ATOM 75 OE2 GLU A 6 -12.672 -11.010 -1.061 1.00 0.00 O ATOM 0 H GLU A 6 -14.023 -6.366 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.212 -6.413 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.178 -7.692 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.210 -8.623 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.066 -9.675 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.771 -8.574 -1.919 1.00 0.00 H new ATOM 82 N ILE A 7 -10.610 -7.804 -4.473 1.00 0.00 N ATOM 83 CA ILE A 7 -9.624 -8.396 -5.434 1.00 0.00 C ATOM 84 C ILE A 7 -8.601 -9.223 -4.649 1.00 0.00 C ATOM 85 O ILE A 7 -8.478 -9.093 -3.449 1.00 0.00 O ATOM 86 CB ILE A 7 -8.911 -7.280 -6.213 1.00 0.00 C ATOM 87 CG1 ILE A 7 -8.156 -6.362 -5.239 1.00 0.00 C ATOM 88 CG2 ILE A 7 -9.945 -6.463 -6.996 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.535 -5.188 -6.005 1.00 0.00 C ATOM 0 H ILE A 7 -10.233 -7.594 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.146 -9.036 -6.146 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.198 -7.725 -6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.838 -5.989 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.377 -6.925 -4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.440 -5.671 -7.549 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.471 -7.115 -7.694 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.661 -6.022 -6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.001 -4.541 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.839 -5.569 -6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.322 -4.618 -6.499 1.00 0.00 H new ATOM 101 N SER A 8 -7.867 -10.078 -5.318 1.00 0.00 N ATOM 102 CA SER A 8 -6.849 -10.923 -4.614 1.00 0.00 C ATOM 103 C SER A 8 -5.619 -11.093 -5.501 1.00 0.00 C ATOM 104 O SER A 8 -5.696 -11.041 -6.713 1.00 0.00 O ATOM 105 CB SER A 8 -7.449 -12.298 -4.316 1.00 0.00 C ATOM 106 OG SER A 8 -6.528 -13.055 -3.541 1.00 0.00 O ATOM 0 H SER A 8 -7.928 -10.228 -6.325 1.00 0.00 H new ATOM 0 HA SER A 8 -6.560 -10.437 -3.682 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.390 -12.188 -3.778 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.673 -12.819 -5.247 1.00 0.00 H new ATOM 0 HG SER A 8 -5.951 -12.447 -3.033 1.00 0.00 H new ATOM 112 N VAL A 9 -4.481 -11.300 -4.897 1.00 0.00 N ATOM 113 CA VAL A 9 -3.220 -11.483 -5.676 1.00 0.00 C ATOM 114 C VAL A 9 -2.315 -12.449 -4.914 1.00 0.00 C ATOM 115 O VAL A 9 -1.561 -12.055 -4.047 1.00 0.00 O ATOM 116 CB VAL A 9 -2.513 -10.134 -5.832 1.00 0.00 C ATOM 117 CG1 VAL A 9 -1.282 -10.304 -6.727 1.00 0.00 C ATOM 118 CG2 VAL A 9 -3.471 -9.123 -6.469 1.00 0.00 C ATOM 0 H VAL A 9 -4.368 -11.351 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.446 -11.882 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.204 -9.772 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.778 -9.344 -6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.599 -11.022 -6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.592 -10.667 -7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.966 -8.163 -6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.782 -9.484 -7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.347 -9.001 -5.832 1.00 0.00 H new ATOM 128 N GLY A 10 -2.396 -13.714 -5.220 1.00 0.00 N ATOM 129 CA GLY A 10 -1.553 -14.711 -4.502 1.00 0.00 C ATOM 130 C GLY A 10 -2.172 -14.989 -3.131 1.00 0.00 C ATOM 131 O GLY A 10 -3.260 -15.521 -3.031 1.00 0.00 O ATOM 0 H GLY A 10 -3.010 -14.101 -5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.486 -15.633 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.537 -14.333 -4.387 1.00 0.00 H new ATOM 135 N ASN A 11 -1.486 -14.631 -2.072 1.00 0.00 N ATOM 136 CA ASN A 11 -2.022 -14.866 -0.692 1.00 0.00 C ATOM 137 C ASN A 11 -2.558 -13.553 -0.110 1.00 0.00 C ATOM 138 O ASN A 11 -2.911 -13.484 1.054 1.00 0.00 O ATOM 139 CB ASN A 11 -0.893 -15.389 0.202 1.00 0.00 C ATOM 140 CG ASN A 11 -0.158 -16.523 -0.514 1.00 0.00 C ATOM 141 OD1 ASN A 11 -0.725 -17.199 -1.350 1.00 0.00 O ATOM 142 ND2 ASN A 11 1.091 -16.763 -0.221 1.00 0.00 N ATOM 0 H ASN A 11 -0.570 -14.182 -2.104 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.831 -15.595 -0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.198 -14.583 0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.300 -15.746 1.148 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.590 -17.517 -0.693 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.568 -16.197 0.480 1.00 0.00 H new ATOM 149 N LEU A 12 -2.592 -12.501 -0.899 1.00 0.00 N ATOM 150 CA LEU A 12 -3.079 -11.176 -0.393 1.00 0.00 C ATOM 151 C LEU A 12 -4.514 -10.931 -0.871 1.00 0.00 C ATOM 152 O LEU A 12 -4.774 -10.841 -2.055 1.00 0.00 O ATOM 153 CB LEU A 12 -2.167 -10.064 -0.936 1.00 0.00 C ATOM 154 CG LEU A 12 -0.699 -10.497 -0.843 1.00 0.00 C ATOM 155 CD1 LEU A 12 0.197 -9.343 -1.300 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.356 -10.868 0.606 1.00 0.00 C ATOM 0 H LEU A 12 -2.301 -12.505 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.059 -11.176 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.425 -9.844 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.321 -9.147 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.537 -11.365 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.242 -9.646 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.042 -9.083 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.030 -8.477 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.688 -11.175 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.518 -10.004 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.995 -11.689 0.932 1.00 0.00 H new ATOM 168 N ARG A 13 -5.440 -10.803 0.048 1.00 0.00 N ATOM 169 CA ARG A 13 -6.872 -10.540 -0.320 1.00 0.00 C ATOM 170 C ARG A 13 -7.231 -9.117 0.109 1.00 0.00 C ATOM 171 O ARG A 13 -7.170 -8.782 1.272 1.00 0.00 O ATOM 172 CB ARG A 13 -7.775 -11.543 0.400 1.00 0.00 C ATOM 173 CG ARG A 13 -7.593 -12.930 -0.218 1.00 0.00 C ATOM 174 CD ARG A 13 -8.388 -13.957 0.590 1.00 0.00 C ATOM 175 NE ARG A 13 -9.839 -13.624 0.523 1.00 0.00 N ATOM 176 CZ ARG A 13 -10.691 -14.261 1.279 1.00 0.00 C ATOM 177 NH1 ARG A 13 -10.274 -15.189 2.096 1.00 0.00 N ATOM 178 NH2 ARG A 13 -11.962 -13.969 1.219 1.00 0.00 N ATOM 0 H ARG A 13 -5.265 -10.870 1.051 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.011 -10.648 -1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.530 -11.572 1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.817 -11.232 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.932 -12.925 -1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.537 -13.199 -0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.215 -14.959 0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.052 -13.960 1.627 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.166 -12.898 -0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.281 -15.417 2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.941 -15.686 2.686 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.289 -13.243 0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.628 -14.467 1.810 1.00 0.00 H new ATOM 192 N LEU A 14 -7.599 -8.274 -0.832 1.00 0.00 N ATOM 193 CA LEU A 14 -7.961 -6.852 -0.499 1.00 0.00 C ATOM 194 C LEU A 14 -9.479 -6.675 -0.615 1.00 0.00 C ATOM 195 O LEU A 14 -10.071 -6.973 -1.632 1.00 0.00 O ATOM 196 CB LEU A 14 -7.260 -5.893 -1.488 1.00 0.00 C ATOM 197 CG LEU A 14 -5.799 -5.644 -1.068 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.950 -6.899 -1.312 1.00 0.00 C ATOM 199 CD2 LEU A 14 -5.231 -4.482 -1.894 1.00 0.00 C ATOM 0 H LEU A 14 -7.665 -8.511 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.639 -6.625 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.287 -6.316 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.798 -4.946 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.771 -5.401 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.921 -6.706 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.350 -7.728 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.975 -7.155 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.197 -4.300 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.270 -4.736 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.822 -3.584 -1.714 1.00 0.00 H new ATOM 211 N ASN A 15 -10.099 -6.175 0.427 1.00 0.00 N ATOM 212 CA ASN A 15 -11.586 -5.948 0.417 1.00 0.00 C ATOM 213 C ASN A 15 -11.866 -4.471 0.709 1.00 0.00 C ATOM 214 O ASN A 15 -11.881 -4.041 1.845 1.00 0.00 O ATOM 215 CB ASN A 15 -12.244 -6.825 1.494 1.00 0.00 C ATOM 216 CG ASN A 15 -12.362 -8.265 0.987 1.00 0.00 C ATOM 217 OD1 ASN A 15 -11.315 -8.849 0.468 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 -13.416 -8.864 1.062 1.00 0.00 N flip ATOM 0 H ASN A 15 -9.635 -5.910 1.296 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.996 -6.212 -0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.652 -6.799 2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.231 -6.434 1.741 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.234 -8.408 1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.483 -9.823 0.720 1.00 0.00 H new ATOM 225 N VAL A 16 -12.089 -3.694 -0.316 1.00 0.00 N ATOM 226 CA VAL A 16 -12.369 -2.245 -0.116 1.00 0.00 C ATOM 227 C VAL A 16 -13.764 -2.071 0.479 1.00 0.00 C ATOM 228 O VAL A 16 -14.043 -1.105 1.160 1.00 0.00 O ATOM 229 CB VAL A 16 -12.309 -1.534 -1.466 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.403 -0.022 -1.254 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.990 -1.873 -2.163 1.00 0.00 C ATOM 0 H VAL A 16 -12.089 -4.003 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.628 -1.821 0.562 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.142 -1.864 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.360 0.484 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.344 0.218 -0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.572 0.311 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.947 -1.366 -3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.156 -1.545 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.926 -2.950 -2.317 1.00 0.00 H new ATOM 241 N THR A 17 -14.647 -2.994 0.220 1.00 0.00 N ATOM 242 CA THR A 17 -16.031 -2.878 0.765 1.00 0.00 C ATOM 243 C THR A 17 -15.994 -2.932 2.297 1.00 0.00 C ATOM 244 O THR A 17 -16.578 -2.102 2.965 1.00 0.00 O ATOM 245 CB THR A 17 -16.899 -4.031 0.226 1.00 0.00 C ATOM 246 OG1 THR A 17 -17.940 -4.310 1.152 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.046 -5.288 0.026 1.00 0.00 C ATOM 0 H THR A 17 -14.472 -3.825 -0.346 1.00 0.00 H new ATOM 0 HA THR A 17 -16.460 -1.926 0.451 1.00 0.00 H new ATOM 0 HB THR A 17 -17.325 -3.736 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.494 -5.042 0.810 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.671 -6.095 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.250 -5.078 -0.688 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.609 -5.587 0.979 1.00 0.00 H new ATOM 255 N ARG A 18 -15.309 -3.897 2.861 1.00 0.00 N ATOM 256 CA ARG A 18 -15.224 -4.007 4.352 1.00 0.00 C ATOM 257 C ARG A 18 -13.920 -3.360 4.815 1.00 0.00 C ATOM 258 O ARG A 18 -13.670 -3.208 5.993 1.00 0.00 O ATOM 259 CB ARG A 18 -15.230 -5.484 4.756 1.00 0.00 C ATOM 260 CG ARG A 18 -16.411 -6.194 4.085 1.00 0.00 C ATOM 261 CD ARG A 18 -16.584 -7.588 4.694 1.00 0.00 C ATOM 262 NE ARG A 18 -17.080 -7.459 6.093 1.00 0.00 N ATOM 263 CZ ARG A 18 -18.317 -7.109 6.319 1.00 0.00 C ATOM 264 NH1 ARG A 18 -19.122 -6.877 5.319 1.00 0.00 N ATOM 265 NH2 ARG A 18 -18.750 -6.993 7.544 1.00 0.00 N ATOM 0 H ARG A 18 -14.801 -4.618 2.349 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.075 -3.505 4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.293 -5.956 4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.305 -5.575 5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -17.323 -5.612 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.239 -6.274 3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.287 -8.172 4.100 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.634 -8.123 4.681 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.452 -7.644 6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.785 -6.969 4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -20.089 -6.604 5.495 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.122 -7.176 8.326 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.717 -6.719 7.719 1.00 0.00 H new ATOM 279 N ARG A 19 -13.086 -2.997 3.881 1.00 0.00 N ATOM 280 CA ARG A 19 -11.781 -2.368 4.220 1.00 0.00 C ATOM 281 C ARG A 19 -11.005 -3.296 5.158 1.00 0.00 C ATOM 282 O ARG A 19 -10.878 -3.042 6.339 1.00 0.00 O ATOM 283 CB ARG A 19 -11.989 -1.007 4.907 1.00 0.00 C ATOM 284 CG ARG A 19 -12.689 -0.012 3.950 1.00 0.00 C ATOM 285 CD ARG A 19 -14.214 -0.192 3.989 1.00 0.00 C ATOM 286 NE ARG A 19 -14.863 0.953 3.293 1.00 0.00 N ATOM 287 CZ ARG A 19 -16.159 1.101 3.346 1.00 0.00 C ATOM 288 NH1 ARG A 19 -16.888 0.242 4.006 1.00 0.00 N ATOM 289 NH2 ARG A 19 -16.726 2.107 2.738 1.00 0.00 N ATOM 0 H ARG A 19 -13.257 -3.112 2.882 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.221 -2.208 3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.589 -1.137 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.027 -0.602 5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -12.432 1.010 4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.327 -0.164 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.493 -1.130 3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -14.559 -0.247 5.022 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.295 1.622 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.445 -0.545 4.480 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.901 0.358 4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -16.157 2.777 2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.739 2.223 2.779 1.00 0.00 H new ATOM 303 N LEU A 20 -10.486 -4.373 4.633 1.00 0.00 N ATOM 304 CA LEU A 20 -9.715 -5.332 5.468 1.00 0.00 C ATOM 305 C LEU A 20 -8.790 -6.145 4.550 1.00 0.00 C ATOM 306 O LEU A 20 -9.225 -6.702 3.562 1.00 0.00 O ATOM 307 CB LEU A 20 -10.710 -6.257 6.209 1.00 0.00 C ATOM 308 CG LEU A 20 -10.198 -6.584 7.614 1.00 0.00 C ATOM 309 CD1 LEU A 20 -11.243 -7.420 8.357 1.00 0.00 C ATOM 310 CD2 LEU A 20 -8.887 -7.370 7.515 1.00 0.00 C ATOM 0 H LEU A 20 -10.566 -4.630 3.649 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.108 -4.809 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.685 -5.773 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.849 -7.178 5.643 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.021 -5.657 8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.878 -7.653 9.357 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.173 -6.857 8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.423 -8.346 7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.525 -7.601 8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.059 -8.297 6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.143 -6.772 6.989 1.00 0.00 H new ATOM 322 N VAL A 21 -7.515 -6.203 4.866 1.00 0.00 N ATOM 323 CA VAL A 21 -6.537 -6.962 4.014 1.00 0.00 C ATOM 324 C VAL A 21 -5.971 -8.153 4.790 1.00 0.00 C ATOM 325 O VAL A 21 -5.612 -8.038 5.945 1.00 0.00 O ATOM 326 CB VAL A 21 -5.385 -6.028 3.627 1.00 0.00 C ATOM 327 CG1 VAL A 21 -4.532 -6.686 2.539 1.00 0.00 C ATOM 328 CG2 VAL A 21 -5.956 -4.705 3.105 1.00 0.00 C ATOM 0 H VAL A 21 -7.106 -5.753 5.685 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.048 -7.327 3.123 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.764 -5.835 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.714 -6.020 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.125 -7.625 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.149 -6.882 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.138 -4.039 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.578 -4.897 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.558 -4.236 3.883 1.00 0.00 H new ATOM 338 N TRP A 22 -5.870 -9.296 4.149 1.00 0.00 N ATOM 339 CA TRP A 22 -5.306 -10.514 4.818 1.00 0.00 C ATOM 340 C TRP A 22 -3.922 -10.803 4.234 1.00 0.00 C ATOM 341 O TRP A 22 -3.732 -10.796 3.034 1.00 0.00 O ATOM 342 CB TRP A 22 -6.218 -11.717 4.561 1.00 0.00 C ATOM 343 CG TRP A 22 -7.499 -11.548 5.312 1.00 0.00 C ATOM 344 CD1 TRP A 22 -7.756 -12.067 6.535 1.00 0.00 C ATOM 345 CD2 TRP A 22 -8.698 -10.824 4.915 1.00 0.00 C ATOM 346 NE1 TRP A 22 -9.036 -11.707 6.914 1.00 0.00 N ATOM 347 CE2 TRP A 22 -9.657 -10.940 5.949 1.00 0.00 C ATOM 348 CE3 TRP A 22 -9.043 -10.084 3.770 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -10.915 -10.345 5.851 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.307 -9.484 3.668 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.241 -9.613 4.706 1.00 0.00 C ATOM 0 H TRP A 22 -6.158 -9.438 3.181 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.234 -10.339 5.891 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.420 -11.811 3.494 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.721 -12.636 4.873 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -7.073 -12.665 7.120 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.468 -11.975 7.798 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.331 -9.977 2.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -11.631 -10.449 6.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -10.563 -8.919 2.784 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.212 -9.147 4.621 1.00 0.00 H new ATOM 362 N LEU A 23 -2.957 -11.057 5.082 1.00 0.00 N ATOM 363 CA LEU A 23 -1.563 -11.354 4.618 1.00 0.00 C ATOM 364 C LEU A 23 -1.235 -12.803 4.969 1.00 0.00 C ATOM 365 O LEU A 23 -1.109 -13.154 6.122 1.00 0.00 O ATOM 366 CB LEU A 23 -0.598 -10.403 5.351 1.00 0.00 C ATOM 367 CG LEU A 23 0.895 -10.804 5.114 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.719 -9.570 4.708 1.00 0.00 C ATOM 369 CD2 LEU A 23 1.516 -11.384 6.397 1.00 0.00 C ATOM 0 H LEU A 23 -3.077 -11.072 6.095 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.469 -11.212 3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.760 -9.382 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.814 -10.417 6.419 1.00 0.00 H new ATOM 0 HG LEU A 23 0.912 -11.553 4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.756 -9.862 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.313 -9.148 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.672 -8.824 5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.555 -11.656 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.475 -10.638 7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.959 -12.270 6.703 1.00 0.00 H new ATOM 381 N GLY A 24 -1.130 -13.663 3.993 1.00 0.00 N ATOM 382 CA GLY A 24 -0.843 -15.086 4.315 1.00 0.00 C ATOM 383 C GLY A 24 -2.062 -15.651 5.037 1.00 0.00 C ATOM 384 O GLY A 24 -1.952 -16.410 5.977 1.00 0.00 O ATOM 0 H GLY A 24 -1.229 -13.445 3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.641 -15.651 3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.044 -15.165 4.943 1.00 0.00 H new ATOM 388 N GLU A 25 -3.223 -15.259 4.589 1.00 0.00 N ATOM 389 CA GLU A 25 -4.492 -15.732 5.211 1.00 0.00 C ATOM 390 C GLU A 25 -4.651 -15.121 6.612 1.00 0.00 C ATOM 391 O GLU A 25 -5.632 -15.368 7.284 1.00 0.00 O ATOM 392 CB GLU A 25 -4.491 -17.273 5.300 1.00 0.00 C ATOM 393 CG GLU A 25 -5.930 -17.800 5.362 1.00 0.00 C ATOM 394 CD GLU A 25 -5.912 -19.312 5.596 1.00 0.00 C ATOM 395 OE1 GLU A 25 -5.838 -20.042 4.621 1.00 0.00 O ATOM 396 OE2 GLU A 25 -5.974 -19.714 6.746 1.00 0.00 O ATOM 0 H GLU A 25 -3.348 -14.620 3.804 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.331 -15.414 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.978 -17.694 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.940 -17.593 6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.476 -17.304 6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.452 -17.572 4.433 1.00 0.00 H new ATOM 403 N THR A 26 -3.704 -14.318 7.059 1.00 0.00 N ATOM 404 CA THR A 26 -3.824 -13.692 8.425 1.00 0.00 C ATOM 405 C THR A 26 -4.273 -12.238 8.290 1.00 0.00 C ATOM 406 O THR A 26 -3.829 -11.520 7.422 1.00 0.00 O ATOM 407 CB THR A 26 -2.475 -13.728 9.142 1.00 0.00 C ATOM 408 OG1 THR A 26 -1.542 -12.912 8.446 1.00 0.00 O ATOM 409 CG2 THR A 26 -1.960 -15.167 9.201 1.00 0.00 C ATOM 0 H THR A 26 -2.860 -14.071 6.542 1.00 0.00 H new ATOM 0 HA THR A 26 -4.558 -14.255 9.002 1.00 0.00 H new ATOM 0 HB THR A 26 -2.597 -13.349 10.157 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.263 -13.364 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.998 -15.188 9.713 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.674 -15.787 9.744 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.841 -15.553 8.188 1.00 0.00 H new ATOM 417 N ALA A 27 -5.156 -11.802 9.143 1.00 0.00 N ATOM 418 CA ALA A 27 -5.642 -10.395 9.063 1.00 0.00 C ATOM 419 C ALA A 27 -4.461 -9.427 9.157 1.00 0.00 C ATOM 420 O ALA A 27 -3.823 -9.307 10.184 1.00 0.00 O ATOM 421 CB ALA A 27 -6.611 -10.128 10.216 1.00 0.00 C ATOM 0 H ALA A 27 -5.564 -12.359 9.894 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.151 -10.245 8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.968 -9.100 10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.458 -10.811 10.145 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.098 -10.283 11.165 1.00 0.00 H new ATOM 427 N LEU A 28 -4.170 -8.728 8.093 1.00 0.00 N ATOM 428 CA LEU A 28 -3.037 -7.759 8.119 1.00 0.00 C ATOM 429 C LEU A 28 -3.468 -6.516 8.899 1.00 0.00 C ATOM 430 O LEU A 28 -4.499 -5.932 8.629 1.00 0.00 O ATOM 431 CB LEU A 28 -2.677 -7.371 6.680 1.00 0.00 C ATOM 432 CG LEU A 28 -1.442 -6.451 6.648 1.00 0.00 C ATOM 433 CD1 LEU A 28 -0.201 -7.174 7.223 1.00 0.00 C ATOM 434 CD2 LEU A 28 -1.175 -6.040 5.192 1.00 0.00 C ATOM 0 H LEU A 28 -4.669 -8.787 7.205 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.167 -8.207 8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.480 -8.270 6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.523 -6.866 6.213 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.634 -5.571 7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.658 -6.504 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.395 -7.464 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.009 -8.064 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.303 -5.388 5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.990 -6.930 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.043 -5.510 4.799 1.00 0.00 H new ATOM 446 N ASP A 29 -2.695 -6.108 9.872 1.00 0.00 N ATOM 447 CA ASP A 29 -3.066 -4.904 10.678 1.00 0.00 C ATOM 448 C ASP A 29 -2.432 -3.654 10.069 1.00 0.00 C ATOM 449 O ASP A 29 -1.275 -3.361 10.295 1.00 0.00 O ATOM 450 CB ASP A 29 -2.559 -5.073 12.108 1.00 0.00 C ATOM 451 CG ASP A 29 -3.155 -6.343 12.716 1.00 0.00 C ATOM 452 OD1 ASP A 29 -4.349 -6.544 12.565 1.00 0.00 O ATOM 453 OD2 ASP A 29 -2.408 -7.094 13.322 1.00 0.00 O ATOM 0 H ASP A 29 -1.821 -6.557 10.145 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.151 -4.797 10.679 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.471 -5.131 12.114 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.836 -4.206 12.708 1.00 0.00 H new ATOM 458 N LEU A 30 -3.194 -2.914 9.300 1.00 0.00 N ATOM 459 CA LEU A 30 -2.673 -1.660 8.654 1.00 0.00 C ATOM 460 C LEU A 30 -3.563 -0.477 9.051 1.00 0.00 C ATOM 461 O LEU A 30 -4.774 -0.561 9.036 1.00 0.00 O ATOM 462 CB LEU A 30 -2.653 -1.833 7.121 1.00 0.00 C ATOM 463 CG LEU A 30 -4.073 -1.842 6.518 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.957 -2.063 5.004 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.924 -2.971 7.139 1.00 0.00 C ATOM 0 H LEU A 30 -4.169 -3.126 9.088 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.656 -1.466 8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.075 -1.025 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.147 -2.765 6.869 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.560 -0.890 6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.953 -2.072 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.371 -1.257 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.465 -3.017 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.921 -2.959 6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.452 -3.933 6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.000 -2.819 8.216 1.00 0.00 H new ATOM 477 N THR A 31 -2.970 0.624 9.426 1.00 0.00 N ATOM 478 CA THR A 31 -3.789 1.799 9.840 1.00 0.00 C ATOM 479 C THR A 31 -4.697 2.229 8.672 1.00 0.00 C ATOM 480 O THR A 31 -4.327 2.079 7.525 1.00 0.00 O ATOM 481 CB THR A 31 -2.860 2.958 10.213 1.00 0.00 C ATOM 482 OG1 THR A 31 -2.100 3.339 9.074 1.00 0.00 O ATOM 483 CG2 THR A 31 -1.917 2.517 11.334 1.00 0.00 C ATOM 0 H THR A 31 -1.960 0.761 9.464 1.00 0.00 H new ATOM 0 HA THR A 31 -4.403 1.530 10.699 1.00 0.00 H new ATOM 0 HB THR A 31 -3.454 3.806 10.554 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.506 4.082 9.311 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.256 3.342 11.599 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.501 2.225 12.207 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.321 1.669 10.996 1.00 0.00 H new ATOM 491 N PRO A 32 -5.871 2.775 8.936 1.00 0.00 N ATOM 492 CA PRO A 32 -6.789 3.228 7.848 1.00 0.00 C ATOM 493 C PRO A 32 -6.048 4.014 6.756 1.00 0.00 C ATOM 494 O PRO A 32 -6.208 3.766 5.578 1.00 0.00 O ATOM 495 CB PRO A 32 -7.791 4.136 8.580 1.00 0.00 C ATOM 496 CG PRO A 32 -7.858 3.585 9.970 1.00 0.00 C ATOM 497 CD PRO A 32 -6.461 3.014 10.274 1.00 0.00 C ATOM 0 HA PRO A 32 -7.256 2.390 7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.457 5.174 8.581 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.769 4.116 8.098 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.124 4.364 10.685 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.620 2.809 10.045 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.861 3.715 10.855 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.524 2.092 10.853 1.00 0.00 H new ATOM 505 N LYS A 33 -5.245 4.965 7.148 1.00 0.00 N ATOM 506 CA LYS A 33 -4.498 5.775 6.146 1.00 0.00 C ATOM 507 C LYS A 33 -3.699 4.853 5.223 1.00 0.00 C ATOM 508 O LYS A 33 -3.576 5.101 4.040 1.00 0.00 O ATOM 509 CB LYS A 33 -3.541 6.724 6.870 1.00 0.00 C ATOM 510 CG LYS A 33 -4.315 7.539 7.909 1.00 0.00 C ATOM 511 CD LYS A 33 -3.353 8.480 8.640 1.00 0.00 C ATOM 512 CE LYS A 33 -4.108 9.229 9.740 1.00 0.00 C ATOM 513 NZ LYS A 33 -4.454 8.283 10.839 1.00 0.00 N ATOM 0 H LYS A 33 -5.074 5.216 8.122 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.206 6.352 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.748 6.156 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.062 7.391 6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.103 8.114 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.800 6.872 8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.530 7.911 9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.916 9.189 7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.495 10.043 10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.014 9.677 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.667 8.819 11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.286 7.722 10.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.651 7.647 11.015 1.00 0.00 H new ATOM 527 N GLU A 34 -3.150 3.793 5.750 1.00 0.00 N ATOM 528 CA GLU A 34 -2.357 2.868 4.892 1.00 0.00 C ATOM 529 C GLU A 34 -3.293 2.172 3.900 1.00 0.00 C ATOM 530 O GLU A 34 -2.924 1.907 2.773 1.00 0.00 O ATOM 531 CB GLU A 34 -1.651 1.827 5.777 1.00 0.00 C ATOM 532 CG GLU A 34 -0.905 0.796 4.914 1.00 0.00 C ATOM 533 CD GLU A 34 0.068 1.502 3.968 1.00 0.00 C ATOM 534 OE1 GLU A 34 0.595 2.533 4.354 1.00 0.00 O ATOM 535 OE2 GLU A 34 0.268 1.002 2.874 1.00 0.00 O ATOM 0 H GLU A 34 -3.216 3.528 6.733 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.604 3.430 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.949 2.326 6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.383 1.321 6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.361 0.101 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.620 0.207 4.339 1.00 0.00 H new ATOM 542 N TYR A 35 -4.501 1.875 4.301 1.00 0.00 N ATOM 543 CA TYR A 35 -5.443 1.200 3.363 1.00 0.00 C ATOM 544 C TYR A 35 -5.633 2.091 2.131 1.00 0.00 C ATOM 545 O TYR A 35 -5.800 1.613 1.027 1.00 0.00 O ATOM 546 CB TYR A 35 -6.797 0.964 4.056 1.00 0.00 C ATOM 547 CG TYR A 35 -7.583 -0.095 3.300 1.00 0.00 C ATOM 548 CD1 TYR A 35 -8.163 0.213 2.061 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.719 -1.387 3.831 1.00 0.00 C ATOM 550 CE1 TYR A 35 -8.874 -0.767 1.356 1.00 0.00 C ATOM 551 CE2 TYR A 35 -8.435 -2.363 3.126 1.00 0.00 C ATOM 552 CZ TYR A 35 -9.009 -2.053 1.891 1.00 0.00 C ATOM 553 OH TYR A 35 -9.704 -3.020 1.195 1.00 0.00 O ATOM 0 H TYR A 35 -4.873 2.069 5.231 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.036 0.235 3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.638 0.646 5.086 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.364 1.894 4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.062 1.207 1.650 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.271 -1.629 4.784 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.318 -0.530 0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.543 -3.356 3.538 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.102 -3.655 1.826 1.00 0.00 H new ATOM 563 N ALA A 36 -5.594 3.383 2.314 1.00 0.00 N ATOM 564 CA ALA A 36 -5.758 4.304 1.154 1.00 0.00 C ATOM 565 C ALA A 36 -4.506 4.203 0.292 1.00 0.00 C ATOM 566 O ALA A 36 -4.568 3.943 -0.895 1.00 0.00 O ATOM 567 CB ALA A 36 -5.916 5.742 1.652 1.00 0.00 C ATOM 0 H ALA A 36 -5.456 3.840 3.215 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.643 4.031 0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.036 6.411 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.795 5.810 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.030 6.030 2.218 1.00 0.00 H new ATOM 573 N LEU A 37 -3.363 4.381 0.894 1.00 0.00 N ATOM 574 CA LEU A 37 -2.088 4.270 0.135 1.00 0.00 C ATOM 575 C LEU A 37 -2.099 2.931 -0.606 1.00 0.00 C ATOM 576 O LEU A 37 -1.872 2.853 -1.796 1.00 0.00 O ATOM 577 CB LEU A 37 -0.929 4.318 1.149 1.00 0.00 C ATOM 578 CG LEU A 37 0.393 4.706 0.466 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.444 5.005 1.545 1.00 0.00 C ATOM 580 CD2 LEU A 37 0.893 3.558 -0.431 1.00 0.00 C ATOM 0 H LEU A 37 -3.258 4.600 1.885 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.970 5.080 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.160 5.037 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.822 3.345 1.629 1.00 0.00 H new ATOM 0 HG LEU A 37 0.229 5.588 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.385 5.281 1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.099 5.828 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.595 4.119 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.829 3.849 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.056 2.667 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.148 3.344 -1.197 1.00 0.00 H new ATOM 592 N LEU A 38 -2.389 1.884 0.108 1.00 0.00 N ATOM 593 CA LEU A 38 -2.443 0.533 -0.505 1.00 0.00 C ATOM 594 C LEU A 38 -3.432 0.532 -1.677 1.00 0.00 C ATOM 595 O LEU A 38 -3.195 -0.080 -2.699 1.00 0.00 O ATOM 596 CB LEU A 38 -2.913 -0.459 0.564 1.00 0.00 C ATOM 597 CG LEU A 38 -2.764 -1.914 0.070 1.00 0.00 C ATOM 598 CD1 LEU A 38 -1.311 -2.392 0.216 1.00 0.00 C ATOM 599 CD2 LEU A 38 -3.670 -2.821 0.909 1.00 0.00 C ATOM 0 H LEU A 38 -2.594 1.908 1.107 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.458 0.251 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.332 -0.319 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.955 -0.261 0.816 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.046 -1.957 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.229 -3.420 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.656 -1.751 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.016 -2.345 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.571 -3.851 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.378 -2.757 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.706 -2.501 0.801 1.00 0.00 H new ATOM 611 N SER A 39 -4.544 1.198 -1.531 1.00 0.00 N ATOM 612 CA SER A 39 -5.553 1.221 -2.630 1.00 0.00 C ATOM 613 C SER A 39 -4.884 1.646 -3.936 1.00 0.00 C ATOM 614 O SER A 39 -5.254 1.206 -5.007 1.00 0.00 O ATOM 615 CB SER A 39 -6.670 2.207 -2.281 1.00 0.00 C ATOM 616 OG SER A 39 -7.108 1.968 -0.951 1.00 0.00 O ATOM 0 H SER A 39 -4.799 1.728 -0.698 1.00 0.00 H new ATOM 0 HA SER A 39 -5.975 0.223 -2.751 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.311 3.231 -2.379 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.502 2.093 -2.976 1.00 0.00 H new ATOM 0 HG SER A 39 -6.368 2.129 -0.329 1.00 0.00 H new ATOM 622 N ARG A 40 -3.903 2.502 -3.861 1.00 0.00 N ATOM 623 CA ARG A 40 -3.211 2.957 -5.101 1.00 0.00 C ATOM 624 C ARG A 40 -2.224 1.878 -5.560 1.00 0.00 C ATOM 625 O ARG A 40 -2.119 1.582 -6.734 1.00 0.00 O ATOM 626 CB ARG A 40 -2.461 4.265 -4.803 1.00 0.00 C ATOM 627 CG ARG A 40 -3.437 5.460 -4.835 1.00 0.00 C ATOM 628 CD ARG A 40 -3.947 5.733 -6.271 1.00 0.00 C ATOM 629 NE ARG A 40 -5.260 5.053 -6.468 1.00 0.00 N ATOM 630 CZ ARG A 40 -6.331 5.518 -5.882 1.00 0.00 C ATOM 631 NH1 ARG A 40 -6.254 6.577 -5.124 1.00 0.00 N ATOM 632 NH2 ARG A 40 -7.478 4.922 -6.056 1.00 0.00 N ATOM 0 H ARG A 40 -3.550 2.907 -2.994 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.940 3.129 -5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.982 4.203 -3.826 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.669 4.414 -5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.284 5.258 -4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.939 6.349 -4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.052 6.806 -6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.224 5.370 -7.001 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.322 4.225 -7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.357 7.043 -4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.091 6.939 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.538 4.094 -6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.315 5.284 -5.599 1.00 0.00 H new ATOM 646 N LEU A 41 -1.494 1.291 -4.652 1.00 0.00 N ATOM 647 CA LEU A 41 -0.516 0.243 -5.059 1.00 0.00 C ATOM 648 C LEU A 41 -1.242 -0.905 -5.766 1.00 0.00 C ATOM 649 O LEU A 41 -0.831 -1.351 -6.818 1.00 0.00 O ATOM 650 CB LEU A 41 0.220 -0.295 -3.828 1.00 0.00 C ATOM 651 CG LEU A 41 0.682 0.864 -2.935 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.536 0.311 -1.787 1.00 0.00 C ATOM 653 CD2 LEU A 41 1.510 1.867 -3.755 1.00 0.00 C ATOM 0 H LEU A 41 -1.532 1.490 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 41 0.208 0.686 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.436 -0.958 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.080 -0.888 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.192 1.374 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.866 1.132 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.944 -0.389 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.406 -0.203 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.832 2.685 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.384 1.365 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.901 2.263 -4.567 1.00 0.00 H new ATOM 665 N MET A 42 -2.313 -1.393 -5.202 1.00 0.00 N ATOM 666 CA MET A 42 -3.046 -2.516 -5.852 1.00 0.00 C ATOM 667 C MET A 42 -3.743 -2.014 -7.119 1.00 0.00 C ATOM 668 O MET A 42 -3.992 -2.767 -8.040 1.00 0.00 O ATOM 669 CB MET A 42 -4.087 -3.081 -4.875 1.00 0.00 C ATOM 670 CG MET A 42 -5.135 -2.009 -4.524 1.00 0.00 C ATOM 671 SD MET A 42 -6.418 -1.975 -5.803 1.00 0.00 S ATOM 672 CE MET A 42 -7.701 -1.144 -4.832 1.00 0.00 C ATOM 0 H MET A 42 -2.711 -1.064 -4.322 1.00 0.00 H new ATOM 0 HA MET A 42 -2.340 -3.301 -6.121 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.578 -3.947 -5.319 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.593 -3.426 -3.967 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.580 -2.225 -3.553 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.659 -1.032 -4.446 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.642 -1.162 -5.381 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.827 -1.658 -3.879 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.407 -0.110 -4.650 1.00 0.00 H new ATOM 682 N MET A 43 -4.058 -0.749 -7.177 1.00 0.00 N ATOM 683 CA MET A 43 -4.735 -0.211 -8.387 1.00 0.00 C ATOM 684 C MET A 43 -3.814 -0.396 -9.592 1.00 0.00 C ATOM 685 O MET A 43 -4.261 -0.607 -10.702 1.00 0.00 O ATOM 686 CB MET A 43 -5.035 1.278 -8.193 1.00 0.00 C ATOM 687 CG MET A 43 -5.705 1.835 -9.452 1.00 0.00 C ATOM 688 SD MET A 43 -6.337 3.497 -9.116 1.00 0.00 S ATOM 689 CE MET A 43 -7.962 3.007 -8.487 1.00 0.00 C ATOM 0 H MET A 43 -3.876 -0.068 -6.440 1.00 0.00 H new ATOM 0 HA MET A 43 -5.672 -0.743 -8.552 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.686 1.419 -7.330 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.113 1.822 -7.989 1.00 0.00 H new ATOM 0 HG2 MET A 43 -4.990 1.866 -10.274 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.520 1.181 -9.763 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.587 3.892 -8.366 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.434 2.323 -9.192 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.845 2.511 -7.524 1.00 0.00 H new ATOM 699 N LYS A 44 -2.524 -0.318 -9.369 1.00 0.00 N ATOM 700 CA LYS A 44 -1.528 -0.485 -10.477 1.00 0.00 C ATOM 701 C LYS A 44 -0.649 -1.704 -10.178 1.00 0.00 C ATOM 702 O LYS A 44 0.542 -1.698 -10.418 1.00 0.00 O ATOM 703 CB LYS A 44 -0.654 0.772 -10.548 1.00 0.00 C ATOM 704 CG LYS A 44 -1.465 1.928 -11.141 1.00 0.00 C ATOM 705 CD LYS A 44 -0.634 3.212 -11.098 1.00 0.00 C ATOM 706 CE LYS A 44 -1.417 4.352 -11.754 1.00 0.00 C ATOM 707 NZ LYS A 44 -2.568 4.728 -10.886 1.00 0.00 N ATOM 0 H LYS A 44 -2.112 -0.143 -8.452 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.041 -0.631 -11.427 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.299 1.037 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.227 0.581 -11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.746 1.699 -12.169 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.390 2.062 -10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.395 3.468 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.313 3.062 -11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.767 5.213 -11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.774 4.044 -12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.956 5.640 -11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.305 3.997 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.247 4.809 -9.900 1.00 0.00 H new ATOM 721 N ALA A 45 -1.229 -2.749 -9.653 1.00 0.00 N ATOM 722 CA ALA A 45 -0.432 -3.966 -9.336 1.00 0.00 C ATOM 723 C ALA A 45 0.275 -4.465 -10.599 1.00 0.00 C ATOM 724 O ALA A 45 -0.356 -4.778 -11.589 1.00 0.00 O ATOM 725 CB ALA A 45 -1.360 -5.062 -8.806 1.00 0.00 C ATOM 0 H ALA A 45 -2.222 -2.811 -9.430 1.00 0.00 H new ATOM 0 HA ALA A 45 0.312 -3.720 -8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.776 -5.953 -8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.860 -4.711 -7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.106 -5.304 -9.563 1.00 0.00 H new ATOM 731 N GLY A 46 1.586 -4.545 -10.564 1.00 0.00 N ATOM 732 CA GLY A 46 2.370 -5.028 -11.752 1.00 0.00 C ATOM 733 C GLY A 46 3.155 -3.865 -12.362 1.00 0.00 C ATOM 734 O GLY A 46 3.953 -4.052 -13.259 1.00 0.00 O ATOM 0 H GLY A 46 2.154 -4.294 -9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.054 -5.822 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.696 -5.454 -12.495 1.00 0.00 H new ATOM 738 N SER A 47 2.931 -2.663 -11.881 1.00 0.00 N ATOM 739 CA SER A 47 3.655 -1.462 -12.422 1.00 0.00 C ATOM 740 C SER A 47 4.239 -0.664 -11.244 1.00 0.00 C ATOM 741 O SER A 47 3.701 -0.699 -10.155 1.00 0.00 O ATOM 742 CB SER A 47 2.661 -0.588 -13.192 1.00 0.00 C ATOM 743 OG SER A 47 2.368 -1.202 -14.441 1.00 0.00 O ATOM 0 H SER A 47 2.272 -2.460 -11.130 1.00 0.00 H new ATOM 0 HA SER A 47 4.459 -1.773 -13.089 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.747 -0.460 -12.613 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.079 0.406 -13.351 1.00 0.00 H new ATOM 0 HG SER A 47 1.731 -0.647 -14.937 1.00 0.00 H new ATOM 749 N PRO A 48 5.327 0.050 -11.442 1.00 0.00 N ATOM 750 CA PRO A 48 5.955 0.850 -10.348 1.00 0.00 C ATOM 751 C PRO A 48 5.189 2.148 -10.067 1.00 0.00 C ATOM 752 O PRO A 48 5.036 2.988 -10.931 1.00 0.00 O ATOM 753 CB PRO A 48 7.355 1.153 -10.904 1.00 0.00 C ATOM 754 CG PRO A 48 7.143 1.245 -12.380 1.00 0.00 C ATOM 755 CD PRO A 48 6.083 0.184 -12.708 1.00 0.00 C ATOM 0 HA PRO A 48 5.964 0.319 -9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.753 2.083 -10.499 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.065 0.365 -10.651 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.804 2.240 -12.667 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.069 1.055 -12.922 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.439 0.500 -13.529 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.539 -0.760 -13.006 1.00 0.00 H new ATOM 763 N VAL A 49 4.708 2.319 -8.860 1.00 0.00 N ATOM 764 CA VAL A 49 3.956 3.565 -8.522 1.00 0.00 C ATOM 765 C VAL A 49 4.930 4.647 -8.058 1.00 0.00 C ATOM 766 O VAL A 49 5.769 4.417 -7.211 1.00 0.00 O ATOM 767 CB VAL A 49 2.954 3.269 -7.398 1.00 0.00 C ATOM 768 CG1 VAL A 49 2.310 4.576 -6.905 1.00 0.00 C ATOM 769 CG2 VAL A 49 1.867 2.329 -7.927 1.00 0.00 C ATOM 0 H VAL A 49 4.804 1.650 -8.096 1.00 0.00 H new ATOM 0 HA VAL A 49 3.423 3.913 -9.407 1.00 0.00 H new ATOM 0 HB VAL A 49 3.477 2.798 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.601 4.354 -6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.085 5.243 -6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.788 5.058 -7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.152 2.115 -7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.351 2.803 -8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.323 1.398 -8.264 1.00 0.00 H new ATOM 779 N HIS A 50 4.811 5.832 -8.590 1.00 0.00 N ATOM 780 CA HIS A 50 5.717 6.926 -8.158 1.00 0.00 C ATOM 781 C HIS A 50 5.402 7.277 -6.701 1.00 0.00 C ATOM 782 O HIS A 50 4.265 7.494 -6.332 1.00 0.00 O ATOM 783 CB HIS A 50 5.505 8.150 -9.052 1.00 0.00 C ATOM 784 CG HIS A 50 6.538 9.209 -8.754 1.00 0.00 C ATOM 785 ND1 HIS A 50 6.350 10.536 -9.118 1.00 0.00 N ATOM 786 CD2 HIS A 50 7.772 9.163 -8.142 1.00 0.00 C ATOM 787 CE1 HIS A 50 7.439 11.224 -8.730 1.00 0.00 C ATOM 788 NE2 HIS A 50 8.331 10.435 -8.131 1.00 0.00 N ATOM 0 H HIS A 50 4.127 6.087 -9.303 1.00 0.00 H new ATOM 0 HA HIS A 50 6.756 6.608 -8.241 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.568 7.857 -10.100 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.505 8.554 -8.894 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.233 8.276 -7.734 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.574 12.284 -8.885 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.235 10.708 -7.745 1.00 0.00 H new ATOM 797 N ARG A 51 6.404 7.321 -5.874 1.00 0.00 N ATOM 798 CA ARG A 51 6.191 7.638 -4.437 1.00 0.00 C ATOM 799 C ARG A 51 5.427 8.955 -4.316 1.00 0.00 C ATOM 800 O ARG A 51 4.800 9.236 -3.313 1.00 0.00 O ATOM 801 CB ARG A 51 7.546 7.764 -3.729 1.00 0.00 C ATOM 802 CG ARG A 51 8.493 8.623 -4.572 1.00 0.00 C ATOM 803 CD ARG A 51 9.727 8.990 -3.746 1.00 0.00 C ATOM 804 NE ARG A 51 9.320 9.862 -2.607 1.00 0.00 N ATOM 805 CZ ARG A 51 10.227 10.372 -1.819 1.00 0.00 C ATOM 806 NH1 ARG A 51 11.491 10.124 -2.030 1.00 0.00 N ATOM 807 NH2 ARG A 51 9.869 11.133 -0.821 1.00 0.00 N ATOM 0 H ARG A 51 7.375 7.149 -6.135 1.00 0.00 H new ATOM 0 HA ARG A 51 5.615 6.838 -3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.412 8.213 -2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.978 6.776 -3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.792 8.080 -5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.982 9.527 -4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.210 8.087 -3.372 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.456 9.506 -4.371 1.00 0.00 H new ATOM 0 HE ARG A 51 8.333 10.060 -2.444 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.771 9.531 -2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.199 10.523 -1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.881 11.329 -0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.577 11.532 -0.204 1.00 0.00 H new ATOM 821 N GLU A 52 5.485 9.765 -5.330 1.00 0.00 N ATOM 822 CA GLU A 52 4.777 11.070 -5.284 1.00 0.00 C ATOM 823 C GLU A 52 3.265 10.862 -5.410 1.00 0.00 C ATOM 824 O GLU A 52 2.495 11.580 -4.816 1.00 0.00 O ATOM 825 CB GLU A 52 5.269 11.949 -6.436 1.00 0.00 C ATOM 826 CG GLU A 52 4.746 13.372 -6.251 1.00 0.00 C ATOM 827 CD GLU A 52 5.178 14.236 -7.439 1.00 0.00 C ATOM 828 OE1 GLU A 52 5.046 13.774 -8.561 1.00 0.00 O ATOM 829 OE2 GLU A 52 5.631 15.344 -7.206 1.00 0.00 O ATOM 0 H GLU A 52 5.995 9.579 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 52 4.985 11.555 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.359 11.952 -6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.925 11.545 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.659 13.363 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.131 13.794 -5.322 1.00 0.00 H new ATOM 836 N ILE A 53 2.839 9.909 -6.199 1.00 0.00 N ATOM 837 CA ILE A 53 1.370 9.677 -6.391 1.00 0.00 C ATOM 838 C ILE A 53 0.744 8.975 -5.178 1.00 0.00 C ATOM 839 O ILE A 53 -0.388 9.238 -4.824 1.00 0.00 O ATOM 840 CB ILE A 53 1.159 8.821 -7.646 1.00 0.00 C ATOM 841 CG1 ILE A 53 1.668 9.592 -8.871 1.00 0.00 C ATOM 842 CG2 ILE A 53 -0.335 8.511 -7.822 1.00 0.00 C ATOM 843 CD1 ILE A 53 1.742 8.650 -10.072 1.00 0.00 C ATOM 0 H ILE A 53 3.446 9.277 -6.722 1.00 0.00 H new ATOM 0 HA ILE A 53 0.882 10.645 -6.503 1.00 0.00 H new ATOM 0 HB ILE A 53 1.708 7.885 -7.543 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.003 10.427 -9.091 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.652 10.014 -8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.478 7.903 -8.715 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.699 7.967 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.890 9.443 -7.925 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.104 9.198 -10.942 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.425 7.830 -9.850 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.750 8.249 -10.282 1.00 0.00 H new ATOM 855 N LEU A 54 1.453 8.088 -4.541 1.00 0.00 N ATOM 856 CA LEU A 54 0.867 7.383 -3.359 1.00 0.00 C ATOM 857 C LEU A 54 0.874 8.320 -2.152 1.00 0.00 C ATOM 858 O LEU A 54 0.118 8.152 -1.217 1.00 0.00 O ATOM 859 CB LEU A 54 1.660 6.101 -3.060 1.00 0.00 C ATOM 860 CG LEU A 54 3.107 6.425 -2.619 1.00 0.00 C ATOM 861 CD1 LEU A 54 3.178 6.884 -1.130 1.00 0.00 C ATOM 862 CD2 LEU A 54 3.978 5.167 -2.822 1.00 0.00 C ATOM 0 H LEU A 54 2.407 7.819 -4.782 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.163 7.100 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.157 5.534 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.681 5.469 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 54 3.475 7.251 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.213 7.100 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.574 7.781 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.797 6.091 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.002 5.380 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.582 4.349 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.966 4.882 -3.874 1.00 0.00 H new ATOM 874 N TYR A 55 1.724 9.307 -2.165 1.00 0.00 N ATOM 875 CA TYR A 55 1.777 10.252 -1.015 1.00 0.00 C ATOM 876 C TYR A 55 0.457 11.023 -0.925 1.00 0.00 C ATOM 877 O TYR A 55 0.005 11.373 0.148 1.00 0.00 O ATOM 878 CB TYR A 55 2.934 11.237 -1.204 1.00 0.00 C ATOM 879 CG TYR A 55 3.034 12.134 0.014 1.00 0.00 C ATOM 880 CD1 TYR A 55 3.389 11.584 1.253 1.00 0.00 C ATOM 881 CD2 TYR A 55 2.768 13.509 -0.089 1.00 0.00 C ATOM 882 CE1 TYR A 55 3.480 12.404 2.384 1.00 0.00 C ATOM 883 CE2 TYR A 55 2.860 14.327 1.044 1.00 0.00 C ATOM 884 CZ TYR A 55 3.214 13.774 2.281 1.00 0.00 C ATOM 885 OH TYR A 55 3.304 14.581 3.397 1.00 0.00 O ATOM 0 H TYR A 55 2.383 9.501 -2.919 1.00 0.00 H new ATOM 0 HA TYR A 55 1.933 9.689 -0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.868 10.695 -1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.773 11.837 -2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.593 10.527 1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.492 13.936 -1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.756 11.979 3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.658 15.385 0.964 1.00 0.00 H new ATOM 0 HH TYR A 55 3.089 15.505 3.151 1.00 0.00 H new ATOM 895 N ASN A 56 -0.160 11.301 -2.041 1.00 0.00 N ATOM 896 CA ASN A 56 -1.444 12.060 -2.012 1.00 0.00 C ATOM 897 C ASN A 56 -2.495 11.265 -1.233 1.00 0.00 C ATOM 898 O ASN A 56 -3.452 11.811 -0.722 1.00 0.00 O ATOM 899 CB ASN A 56 -1.943 12.298 -3.444 1.00 0.00 C ATOM 900 CG ASN A 56 -0.768 12.683 -4.337 1.00 0.00 C ATOM 901 OD1 ASN A 56 0.152 11.797 -4.594 1.00 0.00 O flip ATOM 902 ND2 ASN A 56 -0.683 13.801 -4.804 1.00 0.00 N flip ATOM 0 H ASN A 56 0.168 11.036 -2.970 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.278 13.020 -1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.424 11.398 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.693 13.089 -3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.404 14.494 -4.602 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.109 14.047 -5.398 1.00 0.00 H new ATOM 909 N ASP A 57 -2.327 9.977 -1.153 1.00 0.00 N ATOM 910 CA ASP A 57 -3.324 9.146 -0.421 1.00 0.00 C ATOM 911 C ASP A 57 -3.426 9.605 1.036 1.00 0.00 C ATOM 912 O ASP A 57 -4.490 9.931 1.521 1.00 0.00 O ATOM 913 CB ASP A 57 -2.880 7.685 -0.459 1.00 0.00 C ATOM 914 CG ASP A 57 -2.882 7.190 -1.905 1.00 0.00 C ATOM 915 OD1 ASP A 57 -2.308 7.866 -2.742 1.00 0.00 O ATOM 916 OD2 ASP A 57 -3.456 6.142 -2.150 1.00 0.00 O ATOM 0 H ASP A 57 -1.546 9.463 -1.561 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.299 9.254 -0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.883 7.586 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.550 7.074 0.147 1.00 0.00 H new ATOM 1089 N THR A 69 9.738 13.598 7.414 1.00 0.00 N ATOM 1090 CA THR A 69 8.634 13.032 8.239 1.00 0.00 C ATOM 1091 C THR A 69 7.682 12.243 7.339 1.00 0.00 C ATOM 1092 O THR A 69 7.130 11.234 7.731 1.00 0.00 O ATOM 1093 CB THR A 69 7.865 14.170 8.918 1.00 0.00 C ATOM 1094 OG1 THR A 69 8.782 15.033 9.577 1.00 0.00 O ATOM 1095 CG2 THR A 69 6.884 13.590 9.936 1.00 0.00 C ATOM 0 HA THR A 69 9.051 12.372 9.000 1.00 0.00 H new ATOM 0 HB THR A 69 7.312 14.734 8.167 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.638 15.027 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.338 14.401 10.418 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.180 12.930 9.428 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.433 13.024 10.689 1.00 0.00 H new ATOM 1103 N LEU A 70 7.488 12.698 6.132 1.00 0.00 N ATOM 1104 CA LEU A 70 6.575 11.980 5.198 1.00 0.00 C ATOM 1105 C LEU A 70 7.234 10.659 4.776 1.00 0.00 C ATOM 1106 O LEU A 70 6.625 9.608 4.825 1.00 0.00 O ATOM 1107 CB LEU A 70 6.294 12.864 3.955 1.00 0.00 C ATOM 1108 CG LEU A 70 7.508 13.789 3.654 1.00 0.00 C ATOM 1109 CD1 LEU A 70 7.603 14.063 2.145 1.00 0.00 C ATOM 1110 CD2 LEU A 70 7.353 15.133 4.396 1.00 0.00 C ATOM 0 H LEU A 70 7.923 13.538 5.751 1.00 0.00 H new ATOM 0 HA LEU A 70 5.627 11.769 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.089 12.231 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.403 13.468 4.126 1.00 0.00 H new ATOM 0 HG LEU A 70 8.413 13.286 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.456 14.711 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.731 13.121 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.689 14.551 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.209 15.771 4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.439 15.627 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.301 14.952 5.470 1.00 0.00 H new ATOM 1122 N GLU A 71 8.469 10.706 4.359 1.00 0.00 N ATOM 1123 CA GLU A 71 9.160 9.457 3.931 1.00 0.00 C ATOM 1124 C GLU A 71 9.423 8.574 5.150 1.00 0.00 C ATOM 1125 O GLU A 71 9.435 7.363 5.058 1.00 0.00 O ATOM 1126 CB GLU A 71 10.489 9.812 3.259 1.00 0.00 C ATOM 1127 CG GLU A 71 11.072 8.572 2.573 1.00 0.00 C ATOM 1128 CD GLU A 71 10.237 8.228 1.338 1.00 0.00 C ATOM 1129 OE1 GLU A 71 9.762 9.147 0.692 1.00 0.00 O ATOM 1130 OE2 GLU A 71 10.088 7.049 1.058 1.00 0.00 O ATOM 0 H GLU A 71 9.030 11.556 4.296 1.00 0.00 H new ATOM 0 HA GLU A 71 8.529 8.918 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.336 10.606 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.192 10.193 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.107 8.756 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.079 7.730 3.266 1.00 0.00 H new ATOM 1137 N VAL A 72 9.632 9.166 6.292 1.00 0.00 N ATOM 1138 CA VAL A 72 9.889 8.350 7.509 1.00 0.00 C ATOM 1139 C VAL A 72 8.592 7.683 7.941 1.00 0.00 C ATOM 1140 O VAL A 72 8.571 6.530 8.324 1.00 0.00 O ATOM 1141 CB VAL A 72 10.404 9.247 8.631 1.00 0.00 C ATOM 1142 CG1 VAL A 72 10.906 8.381 9.790 1.00 0.00 C ATOM 1143 CG2 VAL A 72 11.551 10.115 8.109 1.00 0.00 C ATOM 0 H VAL A 72 9.636 10.176 6.435 1.00 0.00 H new ATOM 0 HA VAL A 72 10.639 7.590 7.290 1.00 0.00 H new ATOM 0 HB VAL A 72 9.595 9.888 8.981 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.274 9.023 10.591 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.088 7.765 10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.714 7.738 9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.917 10.755 8.912 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.360 9.475 7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.193 10.734 7.286 1.00 0.00 H new ATOM 1153 N HIS A 73 7.500 8.387 7.861 1.00 0.00 N ATOM 1154 CA HIS A 73 6.204 7.772 8.244 1.00 0.00 C ATOM 1155 C HIS A 73 6.017 6.524 7.385 1.00 0.00 C ATOM 1156 O HIS A 73 5.553 5.499 7.841 1.00 0.00 O ATOM 1157 CB HIS A 73 5.065 8.762 7.982 1.00 0.00 C ATOM 1158 CG HIS A 73 3.791 8.238 8.587 1.00 0.00 C ATOM 1159 ND1 HIS A 73 2.660 7.980 7.825 1.00 0.00 N ATOM 1160 CD2 HIS A 73 3.452 7.919 9.879 1.00 0.00 C ATOM 1161 CE1 HIS A 73 1.704 7.527 8.656 1.00 0.00 C ATOM 1162 NE2 HIS A 73 2.137 7.471 9.918 1.00 0.00 N ATOM 0 H HIS A 73 7.449 9.357 7.549 1.00 0.00 H new ATOM 0 HA HIS A 73 6.197 7.513 9.303 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.309 9.734 8.410 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.937 8.909 6.910 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.107 8.003 10.734 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.710 7.244 8.342 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.613 7.164 10.738 1.00 0.00 H new ATOM 1171 N ILE A 74 6.394 6.613 6.137 1.00 0.00 N ATOM 1172 CA ILE A 74 6.255 5.438 5.238 1.00 0.00 C ATOM 1173 C ILE A 74 7.155 4.322 5.759 1.00 0.00 C ATOM 1174 O ILE A 74 6.814 3.158 5.694 1.00 0.00 O ATOM 1175 CB ILE A 74 6.649 5.820 3.805 1.00 0.00 C ATOM 1176 CG1 ILE A 74 5.628 6.834 3.269 1.00 0.00 C ATOM 1177 CG2 ILE A 74 6.649 4.564 2.919 1.00 0.00 C ATOM 1178 CD1 ILE A 74 6.066 7.360 1.897 1.00 0.00 C ATOM 0 H ILE A 74 6.791 7.448 5.705 1.00 0.00 H new ATOM 0 HA ILE A 74 5.219 5.099 5.224 1.00 0.00 H new ATOM 0 HB ILE A 74 7.647 6.259 3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.647 6.365 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.528 7.664 3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.929 4.837 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.365 3.842 3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.653 4.122 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.332 8.078 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.036 7.848 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.142 6.529 1.196 1.00 0.00 H new ATOM 1190 N HIS A 75 8.297 4.662 6.287 1.00 0.00 N ATOM 1191 CA HIS A 75 9.196 3.603 6.820 1.00 0.00 C ATOM 1192 C HIS A 75 8.475 2.884 7.960 1.00 0.00 C ATOM 1193 O HIS A 75 8.649 1.700 8.176 1.00 0.00 O ATOM 1194 CB HIS A 75 10.489 4.231 7.343 1.00 0.00 C ATOM 1195 CG HIS A 75 11.435 3.145 7.774 1.00 0.00 C ATOM 1196 ND1 HIS A 75 11.680 2.866 9.111 1.00 0.00 N ATOM 1197 CD2 HIS A 75 12.202 2.258 7.058 1.00 0.00 C ATOM 1198 CE1 HIS A 75 12.561 1.849 9.158 1.00 0.00 C ATOM 1199 NE2 HIS A 75 12.909 1.445 7.936 1.00 0.00 N ATOM 0 H HIS A 75 8.644 5.617 6.372 1.00 0.00 H new ATOM 0 HA HIS A 75 9.446 2.896 6.029 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.949 4.842 6.566 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.271 4.892 8.182 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.248 2.201 5.980 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.939 1.415 10.072 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.558 0.696 7.696 1.00 0.00 H new ATOM 1208 N ASN A 76 7.653 3.596 8.683 1.00 0.00 N ATOM 1209 CA ASN A 76 6.906 2.964 9.805 1.00 0.00 C ATOM 1210 C ASN A 76 5.807 2.068 9.237 1.00 0.00 C ATOM 1211 O ASN A 76 5.576 0.974 9.712 1.00 0.00 O ATOM 1212 CB ASN A 76 6.278 4.053 10.679 1.00 0.00 C ATOM 1213 CG ASN A 76 5.563 3.405 11.866 1.00 0.00 C ATOM 1214 OD1 ASN A 76 6.188 3.046 12.844 1.00 0.00 O ATOM 1215 ND2 ASN A 76 4.269 3.239 11.823 1.00 0.00 N ATOM 0 H ASN A 76 7.467 4.589 8.544 1.00 0.00 H new ATOM 0 HA ASN A 76 7.589 2.366 10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.048 4.738 11.034 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.572 4.642 10.093 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.784 2.808 12.610 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.743 3.540 11.002 1.00 0.00 H new ATOM 1222 N LEU A 77 5.127 2.521 8.223 1.00 0.00 N ATOM 1223 CA LEU A 77 4.046 1.691 7.626 1.00 0.00 C ATOM 1224 C LEU A 77 4.663 0.527 6.854 1.00 0.00 C ATOM 1225 O LEU A 77 4.161 -0.578 6.882 1.00 0.00 O ATOM 1226 CB LEU A 77 3.208 2.540 6.669 1.00 0.00 C ATOM 1227 CG LEU A 77 2.660 3.772 7.399 1.00 0.00 C ATOM 1228 CD1 LEU A 77 1.919 4.655 6.391 1.00 0.00 C ATOM 1229 CD2 LEU A 77 1.697 3.344 8.526 1.00 0.00 C ATOM 0 H LEU A 77 5.273 3.429 7.782 1.00 0.00 H new ATOM 0 HA LEU A 77 3.409 1.308 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.816 2.852 5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.384 1.947 6.271 1.00 0.00 H new ATOM 0 HG LEU A 77 3.486 4.327 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.525 5.535 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.608 4.967 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.097 4.092 5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.316 4.229 9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.864 2.784 8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.229 2.716 9.240 1.00 0.00 H new ATOM 1241 N ARG A 78 5.745 0.761 6.159 1.00 0.00 N ATOM 1242 CA ARG A 78 6.389 -0.334 5.379 1.00 0.00 C ATOM 1243 C ARG A 78 6.589 -1.565 6.264 1.00 0.00 C ATOM 1244 O ARG A 78 6.212 -2.663 5.907 1.00 0.00 O ATOM 1245 CB ARG A 78 7.748 0.153 4.868 1.00 0.00 C ATOM 1246 CG ARG A 78 8.443 -0.968 4.088 1.00 0.00 C ATOM 1247 CD ARG A 78 9.666 -0.401 3.363 1.00 0.00 C ATOM 1248 NE ARG A 78 10.474 -1.521 2.799 1.00 0.00 N ATOM 1249 CZ ARG A 78 11.719 -1.324 2.457 1.00 0.00 C ATOM 1250 NH1 ARG A 78 12.261 -0.147 2.614 1.00 0.00 N ATOM 1251 NH2 ARG A 78 12.423 -2.305 1.961 1.00 0.00 N ATOM 0 H ARG A 78 6.211 1.666 6.098 1.00 0.00 H new ATOM 0 HA ARG A 78 5.749 -0.605 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.615 1.025 4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.371 0.465 5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.746 -1.765 4.767 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.752 -1.408 3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.350 0.271 2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.271 0.186 4.053 1.00 0.00 H new ATOM 0 HE ARG A 78 10.053 -2.443 2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.712 0.619 3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.233 0.006 2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.001 -3.226 1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.395 -2.151 1.694 1.00 0.00 H new ATOM 1265 N GLU A 79 7.186 -1.399 7.411 1.00 0.00 N ATOM 1266 CA GLU A 79 7.411 -2.573 8.299 1.00 0.00 C ATOM 1267 C GLU A 79 6.065 -3.142 8.758 1.00 0.00 C ATOM 1268 O GLU A 79 5.961 -4.302 9.104 1.00 0.00 O ATOM 1269 CB GLU A 79 8.232 -2.148 9.517 1.00 0.00 C ATOM 1270 CG GLU A 79 7.607 -0.904 10.148 1.00 0.00 C ATOM 1271 CD GLU A 79 8.333 -0.570 11.452 1.00 0.00 C ATOM 1272 OE1 GLU A 79 9.020 -1.439 11.964 1.00 0.00 O ATOM 1273 OE2 GLU A 79 8.189 0.548 11.918 1.00 0.00 O ATOM 0 H GLU A 79 7.526 -0.507 7.770 1.00 0.00 H new ATOM 0 HA GLU A 79 7.955 -3.340 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.268 -2.959 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.260 -1.940 9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.672 -0.063 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.548 -1.076 10.343 1.00 0.00 H new ATOM 1280 N LYS A 80 5.033 -2.339 8.776 1.00 0.00 N ATOM 1281 CA LYS A 80 3.708 -2.844 9.226 1.00 0.00 C ATOM 1282 C LYS A 80 3.125 -3.805 8.179 1.00 0.00 C ATOM 1283 O LYS A 80 2.622 -4.862 8.505 1.00 0.00 O ATOM 1284 CB LYS A 80 2.755 -1.651 9.429 1.00 0.00 C ATOM 1285 CG LYS A 80 1.555 -2.057 10.319 1.00 0.00 C ATOM 1286 CD LYS A 80 1.914 -1.908 11.807 1.00 0.00 C ATOM 1287 CE LYS A 80 0.684 -2.220 12.662 1.00 0.00 C ATOM 1288 NZ LYS A 80 0.396 -3.681 12.603 1.00 0.00 N ATOM 0 H LYS A 80 5.053 -1.358 8.499 1.00 0.00 H new ATOM 0 HA LYS A 80 3.827 -3.383 10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.293 -0.823 9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.395 -1.298 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.692 -1.434 10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.271 -3.088 10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.730 -2.583 12.065 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.263 -0.895 12.008 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.858 -1.914 13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.175 -1.654 12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.251 -3.939 13.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.046 -3.911 11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.283 -4.214 12.702 1.00 0.00 H new ATOM 1302 N ILE A 81 3.174 -3.439 6.926 1.00 0.00 N ATOM 1303 CA ILE A 81 2.607 -4.318 5.864 1.00 0.00 C ATOM 1304 C ILE A 81 3.535 -5.506 5.614 1.00 0.00 C ATOM 1305 O ILE A 81 3.136 -6.504 5.047 1.00 0.00 O ATOM 1306 CB ILE A 81 2.457 -3.519 4.563 1.00 0.00 C ATOM 1307 CG1 ILE A 81 3.757 -2.765 4.271 1.00 0.00 C ATOM 1308 CG2 ILE A 81 1.308 -2.518 4.701 1.00 0.00 C ATOM 1309 CD1 ILE A 81 3.699 -2.177 2.860 1.00 0.00 C ATOM 0 H ILE A 81 3.584 -2.567 6.592 1.00 0.00 H new ATOM 0 HA ILE A 81 1.633 -4.682 6.191 1.00 0.00 H new ATOM 0 HB ILE A 81 2.242 -4.205 3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.901 -1.970 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.609 -3.439 4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.205 -1.953 3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.381 -3.054 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.519 -1.833 5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.624 -1.640 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.575 -2.982 2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.856 -1.490 2.787 1.00 0.00 H new ATOM 1321 N GLY A 82 4.772 -5.406 6.009 1.00 0.00 N ATOM 1322 CA GLY A 82 5.723 -6.529 5.764 1.00 0.00 C ATOM 1323 C GLY A 82 6.282 -6.388 4.350 1.00 0.00 C ATOM 1324 O GLY A 82 5.801 -6.993 3.413 1.00 0.00 O ATOM 0 H GLY A 82 5.167 -4.598 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.531 -6.508 6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.216 -7.487 5.877 1.00 0.00 H new ATOM 1328 N LYS A 83 7.286 -5.573 4.196 1.00 0.00 N ATOM 1329 CA LYS A 83 7.895 -5.347 2.852 1.00 0.00 C ATOM 1330 C LYS A 83 8.086 -6.678 2.116 1.00 0.00 C ATOM 1331 O LYS A 83 8.283 -6.715 0.920 1.00 0.00 O ATOM 1332 CB LYS A 83 9.257 -4.670 3.025 1.00 0.00 C ATOM 1333 CG LYS A 83 10.169 -5.563 3.869 1.00 0.00 C ATOM 1334 CD LYS A 83 11.439 -4.792 4.238 1.00 0.00 C ATOM 1335 CE LYS A 83 12.346 -5.678 5.093 1.00 0.00 C ATOM 1336 NZ LYS A 83 13.555 -4.905 5.498 1.00 0.00 N ATOM 0 H LYS A 83 7.718 -5.045 4.954 1.00 0.00 H new ATOM 0 HA LYS A 83 7.229 -4.713 2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.710 -4.487 2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.134 -3.700 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.649 -5.882 4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.427 -6.465 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.964 -4.482 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.180 -3.885 4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.808 -6.022 5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.639 -6.565 4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.173 -5.506 6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.071 -4.597 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.266 -4.071 6.048 1.00 0.00 H new ATOM 1350 N SER A 84 8.054 -7.768 2.827 1.00 0.00 N ATOM 1351 CA SER A 84 8.258 -9.094 2.180 1.00 0.00 C ATOM 1352 C SER A 84 7.196 -9.342 1.100 1.00 0.00 C ATOM 1353 O SER A 84 7.508 -9.757 0.003 1.00 0.00 O ATOM 1354 CB SER A 84 8.168 -10.191 3.241 1.00 0.00 C ATOM 1355 OG SER A 84 9.291 -10.097 4.108 1.00 0.00 O ATOM 0 H SER A 84 7.895 -7.799 3.834 1.00 0.00 H new ATOM 0 HA SER A 84 9.241 -9.106 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.244 -10.088 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.142 -11.172 2.766 1.00 0.00 H new ATOM 0 HG SER A 84 9.236 -10.798 4.791 1.00 0.00 H new ATOM 1361 N ARG A 85 5.946 -9.126 1.407 1.00 0.00 N ATOM 1362 CA ARG A 85 4.874 -9.392 0.395 1.00 0.00 C ATOM 1363 C ARG A 85 4.886 -8.329 -0.711 1.00 0.00 C ATOM 1364 O ARG A 85 3.993 -8.277 -1.533 1.00 0.00 O ATOM 1365 CB ARG A 85 3.505 -9.409 1.100 1.00 0.00 C ATOM 1366 CG ARG A 85 3.297 -10.759 1.807 1.00 0.00 C ATOM 1367 CD ARG A 85 4.478 -11.053 2.740 1.00 0.00 C ATOM 1368 NE ARG A 85 4.099 -12.140 3.690 1.00 0.00 N ATOM 1369 CZ ARG A 85 5.022 -12.767 4.367 1.00 0.00 C ATOM 1370 NH1 ARG A 85 6.278 -12.448 4.209 1.00 0.00 N ATOM 1371 NH2 ARG A 85 4.688 -13.715 5.201 1.00 0.00 N ATOM 0 H ARG A 85 5.618 -8.779 2.308 1.00 0.00 H new ATOM 0 HA ARG A 85 5.061 -10.360 -0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.449 -8.597 1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.710 -9.243 0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.369 -10.740 2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.201 -11.554 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.350 -11.351 2.158 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.754 -10.154 3.290 1.00 0.00 H new ATOM 0 HE ARG A 85 3.118 -12.393 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.538 -11.709 3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.999 -12.938 4.738 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.707 -13.965 5.323 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.409 -14.206 5.731 1.00 0.00 H new ATOM 1385 N ILE A 86 5.885 -7.487 -0.750 1.00 0.00 N ATOM 1386 CA ILE A 86 5.944 -6.435 -1.820 1.00 0.00 C ATOM 1387 C ILE A 86 7.407 -6.169 -2.188 1.00 0.00 C ATOM 1388 O ILE A 86 8.310 -6.501 -1.446 1.00 0.00 O ATOM 1389 CB ILE A 86 5.275 -5.155 -1.304 1.00 0.00 C ATOM 1390 CG1 ILE A 86 5.472 -4.009 -2.305 1.00 0.00 C ATOM 1391 CG2 ILE A 86 5.887 -4.766 0.037 1.00 0.00 C ATOM 1392 CD1 ILE A 86 4.590 -2.819 -1.915 1.00 0.00 C ATOM 0 H ILE A 86 6.663 -7.478 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 86 5.416 -6.774 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 86 4.208 -5.340 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.519 -3.706 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.220 -4.346 -3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.412 -3.856 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.732 -5.571 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.956 -4.592 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.735 -2.009 -2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.544 -3.125 -1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.863 -2.475 -0.917 1.00 0.00 H new ATOM 1404 N ARG A 87 7.647 -5.583 -3.340 1.00 0.00 N ATOM 1405 CA ARG A 87 9.053 -5.296 -3.789 1.00 0.00 C ATOM 1406 C ARG A 87 9.253 -3.786 -3.924 1.00 0.00 C ATOM 1407 O ARG A 87 8.451 -3.094 -4.519 1.00 0.00 O ATOM 1408 CB ARG A 87 9.290 -5.955 -5.150 1.00 0.00 C ATOM 1409 CG ARG A 87 10.733 -5.707 -5.594 1.00 0.00 C ATOM 1410 CD ARG A 87 11.042 -6.559 -6.826 1.00 0.00 C ATOM 1411 NE ARG A 87 12.361 -6.156 -7.390 1.00 0.00 N ATOM 1412 CZ ARG A 87 12.828 -6.754 -8.453 1.00 0.00 C ATOM 1413 NH1 ARG A 87 12.141 -7.707 -9.022 1.00 0.00 N ATOM 1414 NH2 ARG A 87 13.983 -6.399 -8.947 1.00 0.00 N ATOM 0 H ARG A 87 6.923 -5.288 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 87 9.755 -5.692 -3.055 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.097 -7.026 -5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.597 -5.550 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.878 -4.651 -5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.421 -5.955 -4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.057 -7.615 -6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.260 -6.432 -7.575 1.00 0.00 H new ATOM 0 HE ARG A 87 12.900 -5.413 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.239 -7.985 -8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.507 -8.173 -9.852 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.521 -5.655 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.348 -6.866 -9.777 1.00 0.00 H new ATOM 1428 N THR A 88 10.328 -3.272 -3.382 1.00 0.00 N ATOM 1429 CA THR A 88 10.605 -1.803 -3.477 1.00 0.00 C ATOM 1430 C THR A 88 11.534 -1.550 -4.666 1.00 0.00 C ATOM 1431 O THR A 88 12.425 -2.328 -4.943 1.00 0.00 O ATOM 1432 CB THR A 88 11.288 -1.330 -2.189 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.678 -1.616 -2.262 1.00 0.00 O ATOM 1434 CG2 THR A 88 10.681 -2.055 -0.986 1.00 0.00 C ATOM 0 H THR A 88 11.031 -3.809 -2.874 1.00 0.00 H new ATOM 0 HA THR A 88 9.671 -1.258 -3.613 1.00 0.00 H new ATOM 0 HB THR A 88 11.140 -0.256 -2.074 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.118 -1.313 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.169 -1.716 -0.072 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.615 -1.837 -0.930 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.826 -3.130 -1.098 1.00 0.00 H new ATOM 1442 N VAL A 89 11.328 -0.467 -5.377 1.00 0.00 N ATOM 1443 CA VAL A 89 12.189 -0.152 -6.563 1.00 0.00 C ATOM 1444 C VAL A 89 13.218 0.917 -6.187 1.00 0.00 C ATOM 1445 O VAL A 89 12.960 2.098 -6.280 1.00 0.00 O ATOM 1446 CB VAL A 89 11.307 0.379 -7.694 1.00 0.00 C ATOM 1447 CG1 VAL A 89 12.160 0.614 -8.941 1.00 0.00 C ATOM 1448 CG2 VAL A 89 10.213 -0.644 -8.012 1.00 0.00 C ATOM 0 H VAL A 89 10.596 0.217 -5.186 1.00 0.00 H new ATOM 0 HA VAL A 89 12.707 -1.056 -6.885 1.00 0.00 H new ATOM 0 HB VAL A 89 10.849 1.318 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.531 0.992 -9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.939 1.342 -8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.619 -0.325 -9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.584 -0.266 -8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.672 -1.583 -8.320 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.603 -0.812 -7.124 1.00 0.00 H new ATOM 1509 N GLY A 93 9.856 4.092 -6.320 1.00 0.00 N ATOM 1510 CA GLY A 93 8.388 3.804 -6.273 1.00 0.00 C ATOM 1511 C GLY A 93 8.152 2.500 -5.512 1.00 0.00 C ATOM 1512 O GLY A 93 8.907 2.132 -4.635 1.00 0.00 O ATOM 0 HA2 GLY A 93 7.861 4.624 -5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.989 3.725 -7.284 1.00 0.00 H new ATOM 1516 N TYR A 94 7.106 1.795 -5.850 1.00 0.00 N ATOM 1517 CA TYR A 94 6.802 0.504 -5.164 1.00 0.00 C ATOM 1518 C TYR A 94 6.057 -0.398 -6.147 1.00 0.00 C ATOM 1519 O TYR A 94 5.555 0.057 -7.153 1.00 0.00 O ATOM 1520 CB TYR A 94 5.931 0.779 -3.923 1.00 0.00 C ATOM 1521 CG TYR A 94 6.815 1.140 -2.748 1.00 0.00 C ATOM 1522 CD1 TYR A 94 7.242 2.460 -2.573 1.00 0.00 C ATOM 1523 CD2 TYR A 94 7.211 0.149 -1.841 1.00 0.00 C ATOM 1524 CE1 TYR A 94 8.063 2.790 -1.490 1.00 0.00 C ATOM 1525 CE2 TYR A 94 8.029 0.479 -0.758 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.457 1.800 -0.581 1.00 0.00 C ATOM 1527 OH TYR A 94 9.268 2.127 0.487 1.00 0.00 O ATOM 0 H TYR A 94 6.443 2.060 -6.578 1.00 0.00 H new ATOM 0 HA TYR A 94 7.721 0.014 -4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.234 1.591 -4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.334 -0.101 -3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.938 3.224 -3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 94 6.884 -0.871 -1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.394 3.809 -1.354 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.331 -0.285 -0.057 1.00 0.00 H new ATOM 0 HH TYR A 94 9.099 3.055 0.754 1.00 0.00 H new ATOM 1537 N MET A 95 5.987 -1.673 -5.879 1.00 0.00 N ATOM 1538 CA MET A 95 5.279 -2.582 -6.828 1.00 0.00 C ATOM 1539 C MET A 95 4.956 -3.912 -6.146 1.00 0.00 C ATOM 1540 O MET A 95 5.814 -4.564 -5.585 1.00 0.00 O ATOM 1541 CB MET A 95 6.182 -2.826 -8.047 1.00 0.00 C ATOM 1542 CG MET A 95 5.576 -3.896 -8.975 1.00 0.00 C ATOM 1543 SD MET A 95 6.047 -5.546 -8.389 1.00 0.00 S ATOM 1544 CE MET A 95 6.045 -6.383 -9.994 1.00 0.00 C ATOM 0 H MET A 95 6.384 -2.122 -5.054 1.00 0.00 H new ATOM 0 HA MET A 95 4.344 -2.121 -7.145 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.316 -1.895 -8.598 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.170 -3.145 -7.715 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.490 -3.802 -8.995 1.00 0.00 H new ATOM 0 HG3 MET A 95 5.927 -3.748 -9.996 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.941 -7.458 -9.844 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.211 -6.018 -10.594 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.982 -6.178 -10.512 1.00 0.00 H new ATOM 1554 N LEU A 96 3.717 -4.319 -6.206 1.00 0.00 N ATOM 1555 CA LEU A 96 3.313 -5.612 -5.576 1.00 0.00 C ATOM 1556 C LEU A 96 3.732 -6.769 -6.492 1.00 0.00 C ATOM 1557 O LEU A 96 3.651 -6.677 -7.701 1.00 0.00 O ATOM 1558 CB LEU A 96 1.783 -5.620 -5.380 1.00 0.00 C ATOM 1559 CG LEU A 96 1.408 -4.897 -4.080 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.005 -3.487 -4.070 1.00 0.00 C ATOM 1561 CD2 LEU A 96 -0.115 -4.798 -3.977 1.00 0.00 C ATOM 0 H LEU A 96 2.962 -3.810 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 96 3.800 -5.727 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.299 -5.134 -6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.419 -6.647 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 96 1.803 -5.459 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.732 -2.983 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.091 -3.551 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.617 -2.922 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.385 -4.285 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.502 -4.239 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.545 -5.799 -3.974 1.00 0.00 H new ATOM 1573 N ALA A 97 4.179 -7.857 -5.923 1.00 0.00 N ATOM 1574 CA ALA A 97 4.602 -9.017 -6.759 1.00 0.00 C ATOM 1575 C ALA A 97 3.364 -9.726 -7.312 1.00 0.00 C ATOM 1576 O ALA A 97 2.522 -10.193 -6.571 1.00 0.00 O ATOM 1577 CB ALA A 97 5.410 -9.994 -5.902 1.00 0.00 C ATOM 0 H ALA A 97 4.269 -7.992 -4.916 1.00 0.00 H new ATOM 0 HA ALA A 97 5.218 -8.664 -7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.720 -10.843 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.292 -9.489 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.794 -10.347 -5.075 1.00 0.00 H new ATOM 1583 N ASN A 98 3.247 -9.809 -8.609 1.00 0.00 N ATOM 1584 CA ASN A 98 2.063 -10.488 -9.210 1.00 0.00 C ATOM 1585 C ASN A 98 1.918 -11.891 -8.616 1.00 0.00 C ATOM 1586 O ASN A 98 0.842 -12.455 -8.589 1.00 0.00 O ATOM 1587 CB ASN A 98 2.253 -10.593 -10.725 1.00 0.00 C ATOM 1588 CG ASN A 98 0.954 -11.083 -11.371 1.00 0.00 C ATOM 1589 OD1 ASN A 98 0.669 -12.264 -11.369 1.00 0.00 O ATOM 1590 ND2 ASN A 98 0.151 -10.219 -11.929 1.00 0.00 N ATOM 0 H ASN A 98 3.920 -9.436 -9.279 1.00 0.00 H new ATOM 0 HA ASN A 98 1.165 -9.910 -8.993 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.532 -9.622 -11.135 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.067 -11.281 -10.953 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.716 -10.535 -12.363 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.390 -9.227 -11.931 1.00 0.00 H new