USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 669 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 19 GLN : amide:sc= 0.513 K(o=1.2,f=0.094) USER MOD Set 1.2: A 26 SER OG : rot -106:sc= 0.662 USER MOD Set 2.1: A 20 THR OG1 : rot -99:sc= 0.149 USER MOD Set 2.2: A 21 ASN : amide:sc= -3.86! C(o=-3.7!,f=-5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.0316 (180deg=-0.166) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 5 SER OG : rot 33:sc= 0.0181 USER MOD Single : A 6 ASN : amide:sc= -3.9! K(o=-3.9!,f=-0.19) USER MOD Single : A 7 ASN : amide:sc= -0.367 K(o=-0.37,f=-1.2) USER MOD Single : A 8 GLN : amide:sc= -2.46 K(o=-2.5,f=-1.6) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= -2.55! (180deg=-2.69!) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 18 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.87) USER MOD Single : A 28 SER OG : rot -10:sc= 0.998 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 36 THR OG1 : rot -49:sc= 1.02 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0675 X(o=-0.068,f=-0.55) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 107:sc= 2.12 USER MOD Single : A 58 ASN : amide:sc= -0.308 K(o=-0.31,f=-1.1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 185 THR OG1 : rot 180:sc= 0 USER MOD Single : B 196 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 197 THR OG1 : rot 180:sc= 0 USER MOD Single : B 198 LYS NZ :NH3+ -166:sc= 0.00504 (180deg=0) USER MOD Single : B 199 SER OG : rot 180:sc= 0 USER MOD Single : B 201 TYR OH : rot 180:sc= 0 USER MOD Single : B 202 THR OG1 : rot 34:sc= 0.858 USER MOD Single : B 204 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.155 4.098 -4.755 1.00 0.00 N ATOM 2 CA MET A 1 -25.679 4.226 -4.619 1.00 0.00 C ATOM 3 C MET A 1 -24.988 4.004 -5.960 1.00 0.00 C ATOM 4 O MET A 1 -25.590 3.489 -6.902 1.00 0.00 O ATOM 5 CB MET A 1 -25.155 3.218 -3.594 1.00 0.00 C ATOM 6 CG MET A 1 -25.723 3.418 -2.198 1.00 0.00 C ATOM 7 SD MET A 1 -25.319 5.033 -1.506 1.00 0.00 S ATOM 8 CE MET A 1 -26.068 4.901 0.114 1.00 0.00 C ATOM 0 H1 MET A 1 -27.617 4.922 -4.319 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.408 4.052 -5.763 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.474 3.230 -4.278 1.00 0.00 H new ATOM 0 HA MET A 1 -25.456 5.237 -4.277 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.394 2.210 -3.933 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.068 3.290 -3.549 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.806 3.302 -2.231 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.339 2.639 -1.539 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.904 5.826 0.667 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.139 4.728 0.007 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.618 4.069 0.656 1.00 0.00 H new ATOM 20 N THR A 2 -23.721 4.399 -6.037 1.00 0.00 N ATOM 21 CA THR A 2 -22.943 4.243 -7.261 1.00 0.00 C ATOM 22 C THR A 2 -22.466 2.803 -7.421 1.00 0.00 C ATOM 23 O THR A 2 -22.837 2.117 -8.375 1.00 0.00 O ATOM 24 CB THR A 2 -21.722 5.184 -7.272 1.00 0.00 C ATOM 25 OG1 THR A 2 -22.152 6.542 -7.113 1.00 0.00 O ATOM 26 CG2 THR A 2 -20.939 5.048 -8.569 1.00 0.00 C ATOM 0 H THR A 2 -23.211 4.830 -5.266 1.00 0.00 H new ATOM 0 HA THR A 2 -23.597 4.503 -8.093 1.00 0.00 H new ATOM 0 HB THR A 2 -21.071 4.905 -6.444 1.00 0.00 H new ATOM 0 HG1 THR A 2 -21.372 7.135 -7.119 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.083 5.723 -8.550 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.589 4.021 -8.677 1.00 0.00 H new ATOM 0 HG23 THR A 2 -21.583 5.302 -9.411 1.00 0.00 H new ATOM 34 N ASP A 3 -21.642 2.352 -6.481 1.00 0.00 N ATOM 35 CA ASP A 3 -21.115 0.994 -6.507 1.00 0.00 C ATOM 36 C ASP A 3 -20.637 0.579 -5.119 1.00 0.00 C ATOM 37 O ASP A 3 -19.629 1.082 -4.624 1.00 0.00 O ATOM 38 CB ASP A 3 -19.965 0.887 -7.510 1.00 0.00 C ATOM 39 CG ASP A 3 -19.481 -0.539 -7.684 1.00 0.00 C ATOM 40 OD1 ASP A 3 -18.619 -0.975 -6.893 1.00 0.00 O ATOM 41 OD2 ASP A 3 -19.965 -1.221 -8.613 1.00 0.00 O ATOM 0 H ASP A 3 -21.324 2.910 -5.689 1.00 0.00 H new ATOM 0 HA ASP A 3 -21.916 0.322 -6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -20.290 1.278 -8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -19.136 1.511 -7.176 1.00 0.00 H new ATOM 46 N ASN A 4 -21.369 -0.340 -4.497 1.00 0.00 N ATOM 47 CA ASN A 4 -21.022 -0.816 -3.163 1.00 0.00 C ATOM 48 C ASN A 4 -19.937 -1.886 -3.225 1.00 0.00 C ATOM 49 O ASN A 4 -20.193 -3.019 -3.631 1.00 0.00 O ATOM 50 CB ASN A 4 -22.262 -1.373 -2.461 1.00 0.00 C ATOM 51 CG ASN A 4 -23.402 -0.375 -2.420 1.00 0.00 C ATOM 52 OD1 ASN A 4 -23.183 0.834 -2.360 1.00 0.00 O ATOM 53 ND2 ASN A 4 -24.630 -0.880 -2.455 1.00 0.00 N ATOM 0 H ASN A 4 -22.205 -0.769 -4.895 1.00 0.00 H new ATOM 0 HA ASN A 4 -20.636 0.030 -2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -22.592 -2.276 -2.975 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -22.000 -1.663 -1.443 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -25.438 -0.258 -2.432 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -24.765 -1.890 -2.505 1.00 0.00 H new ATOM 60 N SER A 5 -18.726 -1.516 -2.823 1.00 0.00 N ATOM 61 CA SER A 5 -17.605 -2.447 -2.824 1.00 0.00 C ATOM 62 C SER A 5 -17.593 -3.272 -1.541 1.00 0.00 C ATOM 63 O SER A 5 -17.746 -2.731 -0.445 1.00 0.00 O ATOM 64 CB SER A 5 -16.283 -1.693 -2.973 1.00 0.00 C ATOM 65 OG SER A 5 -16.094 -0.775 -1.911 1.00 0.00 O ATOM 0 H SER A 5 -18.496 -0.579 -2.493 1.00 0.00 H new ATOM 0 HA SER A 5 -17.723 -3.121 -3.673 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.457 -2.403 -2.994 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.270 -1.161 -3.924 1.00 0.00 H new ATOM 0 HG SER A 5 -16.503 -1.131 -1.094 1.00 0.00 H new ATOM 71 N ASN A 6 -17.411 -4.580 -1.683 1.00 0.00 N ATOM 72 CA ASN A 6 -17.383 -5.476 -0.533 1.00 0.00 C ATOM 73 C ASN A 6 -16.473 -6.670 -0.795 1.00 0.00 C ATOM 74 O ASN A 6 -16.144 -6.971 -1.944 1.00 0.00 O ATOM 75 CB ASN A 6 -18.798 -5.957 -0.195 1.00 0.00 C ATOM 76 CG ASN A 6 -19.354 -6.929 -1.220 1.00 0.00 C ATOM 77 OD1 ASN A 6 -20.119 -7.832 -0.881 1.00 0.00 O ATOM 78 ND2 ASN A 6 -18.980 -6.748 -2.483 1.00 0.00 N ATOM 0 H ASN A 6 -17.281 -5.043 -2.582 1.00 0.00 H new ATOM 0 HA ASN A 6 -16.986 -4.921 0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -18.789 -6.436 0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -19.461 -5.095 -0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -19.329 -7.370 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -18.344 -5.987 -2.723 1.00 0.00 H new ATOM 85 N ASN A 7 -16.064 -7.343 0.279 1.00 0.00 N ATOM 86 CA ASN A 7 -15.188 -8.506 0.176 1.00 0.00 C ATOM 87 C ASN A 7 -13.853 -8.129 -0.465 1.00 0.00 C ATOM 88 O ASN A 7 -13.058 -8.996 -0.830 1.00 0.00 O ATOM 89 CB ASN A 7 -15.870 -9.616 -0.630 1.00 0.00 C ATOM 90 CG ASN A 7 -15.107 -10.926 -0.582 1.00 0.00 C ATOM 91 OD1 ASN A 7 -14.426 -11.226 0.398 1.00 0.00 O ATOM 92 ND2 ASN A 7 -15.218 -11.715 -1.645 1.00 0.00 N ATOM 0 H ASN A 7 -16.327 -7.100 1.234 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.990 -8.873 1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.878 -9.773 -0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.971 -9.297 -1.667 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.728 -12.609 -1.670 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.794 -11.427 -2.436 1.00 0.00 H new ATOM 99 N GLN A 8 -13.612 -6.828 -0.596 1.00 0.00 N ATOM 100 CA GLN A 8 -12.376 -6.331 -1.189 1.00 0.00 C ATOM 101 C GLN A 8 -12.088 -4.912 -0.707 1.00 0.00 C ATOM 102 O GLN A 8 -12.839 -3.982 -1.002 1.00 0.00 O ATOM 103 CB GLN A 8 -12.475 -6.357 -2.717 1.00 0.00 C ATOM 104 CG GLN A 8 -11.132 -6.484 -3.420 1.00 0.00 C ATOM 105 CD GLN A 8 -10.190 -5.335 -3.113 1.00 0.00 C ATOM 106 OE1 GLN A 8 -10.197 -4.312 -3.797 1.00 0.00 O ATOM 107 NE2 GLN A 8 -9.367 -5.503 -2.084 1.00 0.00 N ATOM 0 H GLN A 8 -14.259 -6.097 -0.298 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.557 -6.979 -0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.111 -7.190 -3.016 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.966 -5.444 -3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.661 -7.421 -3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.295 -6.535 -4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.396 -6.368 -1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.707 -4.767 -1.834 1.00 0.00 H new ATOM 116 N LEU A 9 -10.997 -4.751 0.037 1.00 0.00 N ATOM 117 CA LEU A 9 -10.617 -3.442 0.559 1.00 0.00 C ATOM 118 C LEU A 9 -9.907 -2.619 -0.512 1.00 0.00 C ATOM 119 O LEU A 9 -8.852 -3.010 -1.012 1.00 0.00 O ATOM 120 CB LEU A 9 -9.714 -3.603 1.786 1.00 0.00 C ATOM 121 CG LEU A 9 -9.579 -2.356 2.667 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.139 -2.743 4.070 1.00 0.00 C ATOM 123 CD2 LEU A 9 -8.594 -1.368 2.057 1.00 0.00 C ATOM 0 H LEU A 9 -10.362 -5.508 0.291 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.524 -2.914 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.100 -4.419 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.721 -3.899 1.449 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.555 -1.874 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.048 -1.846 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.878 -3.411 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.175 -3.249 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.514 -0.491 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.616 -1.840 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.946 -1.065 1.071 1.00 0.00 H new ATOM 135 N VAL A 10 -10.490 -1.475 -0.854 1.00 0.00 N ATOM 136 CA VAL A 10 -9.914 -0.596 -1.865 1.00 0.00 C ATOM 137 C VAL A 10 -9.187 0.573 -1.213 1.00 0.00 C ATOM 138 O VAL A 10 -9.678 1.164 -0.251 1.00 0.00 O ATOM 139 CB VAL A 10 -10.994 -0.050 -2.819 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.358 0.728 -3.961 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.857 -1.183 -3.353 1.00 0.00 C ATOM 0 H VAL A 10 -11.361 -1.135 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.205 -1.191 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.634 0.632 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.138 1.105 -4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.788 1.565 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.692 0.072 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.614 -0.778 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.232 -1.892 -3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.345 -1.692 -2.522 1.00 0.00 H new ATOM 151 N VAL A 11 -8.014 0.902 -1.743 1.00 0.00 N ATOM 152 CA VAL A 11 -7.214 1.996 -1.207 1.00 0.00 C ATOM 153 C VAL A 11 -6.797 2.961 -2.316 1.00 0.00 C ATOM 154 O VAL A 11 -6.734 2.582 -3.486 1.00 0.00 O ATOM 155 CB VAL A 11 -5.964 1.455 -0.478 1.00 0.00 C ATOM 156 CG1 VAL A 11 -4.837 1.167 -1.460 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.513 2.420 0.606 1.00 0.00 C ATOM 0 H VAL A 11 -7.597 0.427 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.830 2.538 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.234 0.513 -0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.971 0.788 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.167 0.422 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.565 2.085 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.632 2.019 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.269 3.383 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.315 2.551 1.333 1.00 0.00 H new ATOM 167 N ARG A 12 -6.511 4.209 -1.946 1.00 0.00 N ATOM 168 CA ARG A 12 -6.107 5.220 -2.920 1.00 0.00 C ATOM 169 C ARG A 12 -4.804 5.898 -2.506 1.00 0.00 C ATOM 170 O ARG A 12 -4.601 6.217 -1.334 1.00 0.00 O ATOM 171 CB ARG A 12 -7.205 6.272 -3.086 1.00 0.00 C ATOM 172 CG ARG A 12 -6.923 7.273 -4.196 1.00 0.00 C ATOM 173 CD ARG A 12 -8.002 8.340 -4.275 1.00 0.00 C ATOM 174 NE ARG A 12 -7.800 9.241 -5.407 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.394 10.425 -5.524 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.209 10.860 -4.571 1.00 0.00 N ATOM 177 NH2 ARG A 12 -8.170 11.178 -6.593 1.00 0.00 N ATOM 0 H ARG A 12 -6.552 4.542 -0.983 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.946 4.715 -3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.150 5.770 -3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.328 6.809 -2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.956 7.745 -4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.857 6.750 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.978 7.863 -4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.010 8.916 -3.350 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.167 8.945 -6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.381 10.286 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.663 11.769 -4.664 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.542 10.849 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.626 12.086 -6.682 1.00 0.00 H new ATOM 191 N ALA A 13 -3.927 6.113 -3.481 1.00 0.00 N ATOM 192 CA ALA A 13 -2.638 6.752 -3.236 1.00 0.00 C ATOM 193 C ALA A 13 -2.805 8.170 -2.696 1.00 0.00 C ATOM 194 O ALA A 13 -3.575 8.964 -3.237 1.00 0.00 O ATOM 195 CB ALA A 13 -1.818 6.774 -4.515 1.00 0.00 C ATOM 0 H ALA A 13 -4.087 5.852 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.115 6.168 -2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.858 7.253 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.652 5.753 -4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.355 7.332 -5.282 1.00 0.00 H new ATOM 201 N LYS A 14 -2.077 8.479 -1.627 1.00 0.00 N ATOM 202 CA LYS A 14 -2.132 9.803 -1.017 1.00 0.00 C ATOM 203 C LYS A 14 -0.965 10.664 -1.491 1.00 0.00 C ATOM 204 O LYS A 14 -1.157 11.660 -2.188 1.00 0.00 O ATOM 205 CB LYS A 14 -2.107 9.691 0.508 1.00 0.00 C ATOM 206 CG LYS A 14 -3.242 8.854 1.075 1.00 0.00 C ATOM 207 CD LYS A 14 -3.107 8.672 2.580 1.00 0.00 C ATOM 208 CE LYS A 14 -3.237 9.994 3.320 1.00 0.00 C ATOM 209 NZ LYS A 14 -4.529 10.673 3.024 1.00 0.00 N ATOM 0 H LYS A 14 -1.441 7.829 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.065 10.277 -1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.156 9.256 0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.154 10.691 0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.195 9.333 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.253 7.878 0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.872 7.981 2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.141 8.221 2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.157 9.819 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.411 10.648 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.542 11.608 3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.633 10.788 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.315 10.098 3.390 1.00 0.00 H new ATOM 223 N PHE A 15 0.246 10.271 -1.105 1.00 0.00 N ATOM 224 CA PHE A 15 1.449 11.003 -1.486 1.00 0.00 C ATOM 225 C PHE A 15 2.152 10.316 -2.652 1.00 0.00 C ATOM 226 O PHE A 15 1.811 9.190 -3.019 1.00 0.00 O ATOM 227 CB PHE A 15 2.409 11.110 -0.298 1.00 0.00 C ATOM 228 CG PHE A 15 1.740 11.503 0.989 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.046 12.699 1.091 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.807 10.674 2.097 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.431 13.060 2.275 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.194 11.030 3.284 1.00 0.00 C ATOM 233 CZ PHE A 15 0.505 12.224 3.373 1.00 0.00 C ATOM 0 H PHE A 15 0.420 9.448 -0.528 1.00 0.00 H new ATOM 0 HA PHE A 15 1.150 12.005 -1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.908 10.151 -0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.183 11.841 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.985 13.356 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.344 9.739 2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.107 13.994 2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.254 10.375 4.141 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.025 12.504 4.299 1.00 0.00 H new ATOM 243 N ASN A 16 3.135 10.998 -3.231 1.00 0.00 N ATOM 244 CA ASN A 16 3.890 10.448 -4.350 1.00 0.00 C ATOM 245 C ASN A 16 4.879 9.393 -3.863 1.00 0.00 C ATOM 246 O ASN A 16 5.920 9.720 -3.293 1.00 0.00 O ATOM 247 CB ASN A 16 4.634 11.560 -5.093 1.00 0.00 C ATOM 248 CG ASN A 16 3.690 12.551 -5.744 1.00 0.00 C ATOM 249 OD1 ASN A 16 2.584 12.197 -6.154 1.00 0.00 O ATOM 250 ND2 ASN A 16 4.123 13.801 -5.845 1.00 0.00 N ATOM 0 H ASN A 16 3.427 11.932 -2.944 1.00 0.00 H new ATOM 0 HA ASN A 16 3.186 9.977 -5.036 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.285 12.087 -4.395 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.275 11.118 -5.856 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.532 14.512 -6.276 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.047 14.051 -5.492 1.00 0.00 H new ATOM 257 N PHE A 17 4.543 8.127 -4.088 1.00 0.00 N ATOM 258 CA PHE A 17 5.395 7.022 -3.667 1.00 0.00 C ATOM 259 C PHE A 17 6.309 6.569 -4.801 1.00 0.00 C ATOM 260 O PHE A 17 5.958 6.673 -5.978 1.00 0.00 O ATOM 261 CB PHE A 17 4.535 5.850 -3.190 1.00 0.00 C ATOM 262 CG PHE A 17 5.317 4.749 -2.529 1.00 0.00 C ATOM 263 CD1 PHE A 17 5.565 4.783 -1.166 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.798 3.680 -3.268 1.00 0.00 C ATOM 265 CE1 PHE A 17 6.279 3.773 -0.554 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.513 2.666 -2.660 1.00 0.00 C ATOM 267 CZ PHE A 17 6.755 2.713 -1.300 1.00 0.00 C ATOM 0 H PHE A 17 3.685 7.841 -4.560 1.00 0.00 H new ATOM 0 HA PHE A 17 6.020 7.370 -2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.787 6.222 -2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.995 5.438 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.195 5.609 -0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.612 3.639 -4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.466 3.812 0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.882 1.838 -3.247 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.315 1.923 -0.822 1.00 0.00 H new ATOM 277 N GLN A 18 7.483 6.065 -4.435 1.00 0.00 N ATOM 278 CA GLN A 18 8.455 5.585 -5.410 1.00 0.00 C ATOM 279 C GLN A 18 8.904 4.170 -5.060 1.00 0.00 C ATOM 280 O GLN A 18 9.224 3.878 -3.908 1.00 0.00 O ATOM 281 CB GLN A 18 9.664 6.520 -5.462 1.00 0.00 C ATOM 282 CG GLN A 18 9.326 7.927 -5.934 1.00 0.00 C ATOM 283 CD GLN A 18 8.749 7.951 -7.336 1.00 0.00 C ATOM 284 OE1 GLN A 18 9.056 7.089 -8.160 1.00 0.00 O ATOM 285 NE2 GLN A 18 7.911 8.941 -7.616 1.00 0.00 N ATOM 0 H GLN A 18 7.785 5.978 -3.465 1.00 0.00 H new ATOM 0 HA GLN A 18 7.980 5.570 -6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.112 6.576 -4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.415 6.093 -6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.612 8.376 -5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.226 8.541 -5.905 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.684 9.634 -6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.494 9.009 -8.544 1.00 0.00 H new ATOM 294 N GLN A 19 8.923 3.293 -6.059 1.00 0.00 N ATOM 295 CA GLN A 19 9.325 1.907 -5.850 1.00 0.00 C ATOM 296 C GLN A 19 10.841 1.759 -5.894 1.00 0.00 C ATOM 297 O GLN A 19 11.567 2.734 -6.088 1.00 0.00 O ATOM 298 CB GLN A 19 8.689 1.004 -6.909 1.00 0.00 C ATOM 299 CG GLN A 19 9.160 1.302 -8.323 1.00 0.00 C ATOM 300 CD GLN A 19 8.517 0.396 -9.354 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.463 0.711 -9.904 1.00 0.00 O ATOM 302 NE2 GLN A 19 9.150 -0.741 -9.620 1.00 0.00 N ATOM 0 H GLN A 19 8.665 3.517 -7.020 1.00 0.00 H new ATOM 0 HA GLN A 19 8.978 1.606 -4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.914 -0.036 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.605 1.113 -6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.934 2.340 -8.566 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.243 1.191 -8.372 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.022 -0.963 -9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.764 -1.392 -10.304 1.00 0.00 H new ATOM 311 N THR A 20 11.308 0.529 -5.710 1.00 0.00 N ATOM 312 CA THR A 20 12.735 0.239 -5.734 1.00 0.00 C ATOM 313 C THR A 20 13.080 -0.666 -6.912 1.00 0.00 C ATOM 314 O THR A 20 14.076 -0.452 -7.603 1.00 0.00 O ATOM 315 CB THR A 20 13.192 -0.434 -4.428 1.00 0.00 C ATOM 316 OG1 THR A 20 12.464 -1.651 -4.222 1.00 0.00 O ATOM 317 CG2 THR A 20 12.981 0.494 -3.242 1.00 0.00 C ATOM 0 H THR A 20 10.716 -0.285 -5.542 1.00 0.00 H new ATOM 0 HA THR A 20 13.257 1.190 -5.840 1.00 0.00 H new ATOM 0 HB THR A 20 14.255 -0.658 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.735 -1.493 -3.586 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.311 -0.002 -2.329 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.558 1.407 -3.388 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.923 0.742 -3.158 1.00 0.00 H new ATOM 325 N ASN A 21 12.246 -1.677 -7.134 1.00 0.00 N ATOM 326 CA ASN A 21 12.449 -2.614 -8.230 1.00 0.00 C ATOM 327 C ASN A 21 11.121 -3.222 -8.676 1.00 0.00 C ATOM 328 O ASN A 21 10.067 -2.909 -8.122 1.00 0.00 O ATOM 329 CB ASN A 21 13.421 -3.717 -7.811 1.00 0.00 C ATOM 330 CG ASN A 21 12.874 -4.584 -6.694 1.00 0.00 C ATOM 331 OD1 ASN A 21 12.062 -4.136 -5.884 1.00 0.00 O ATOM 332 ND2 ASN A 21 13.325 -5.832 -6.642 1.00 0.00 N ATOM 0 H ASN A 21 11.420 -1.868 -6.566 1.00 0.00 H new ATOM 0 HA ASN A 21 12.876 -2.069 -9.071 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.648 -4.343 -8.674 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.360 -3.266 -7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.999 -6.462 -5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.998 -6.160 -7.335 1.00 0.00 H new ATOM 339 N GLU A 22 11.181 -4.094 -9.678 1.00 0.00 N ATOM 340 CA GLU A 22 9.984 -4.742 -10.207 1.00 0.00 C ATOM 341 C GLU A 22 9.320 -5.628 -9.155 1.00 0.00 C ATOM 342 O GLU A 22 8.194 -6.091 -9.342 1.00 0.00 O ATOM 343 CB GLU A 22 10.337 -5.575 -11.439 1.00 0.00 C ATOM 344 CG GLU A 22 11.004 -4.775 -12.547 1.00 0.00 C ATOM 345 CD GLU A 22 10.173 -3.588 -12.994 1.00 0.00 C ATOM 346 OE1 GLU A 22 9.347 -3.754 -13.917 1.00 0.00 O ATOM 347 OE2 GLU A 22 10.348 -2.492 -12.423 1.00 0.00 O ATOM 0 H GLU A 22 12.047 -4.369 -10.141 1.00 0.00 H new ATOM 0 HA GLU A 22 9.278 -3.961 -10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.000 -6.387 -11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.428 -6.033 -11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.976 -4.423 -12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.187 -5.427 -13.401 1.00 0.00 H new ATOM 354 N ASP A 23 10.024 -5.863 -8.051 1.00 0.00 N ATOM 355 CA ASP A 23 9.499 -6.697 -6.973 1.00 0.00 C ATOM 356 C ASP A 23 8.734 -5.856 -5.955 1.00 0.00 C ATOM 357 O ASP A 23 8.536 -6.274 -4.814 1.00 0.00 O ATOM 358 CB ASP A 23 10.638 -7.449 -6.282 1.00 0.00 C ATOM 359 CG ASP A 23 11.350 -8.406 -7.218 1.00 0.00 C ATOM 360 OD1 ASP A 23 12.242 -7.953 -7.966 1.00 0.00 O ATOM 361 OD2 ASP A 23 11.016 -9.609 -7.203 1.00 0.00 O ATOM 0 H ASP A 23 10.957 -5.489 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 23 8.809 -7.419 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.356 -6.731 -5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.240 -8.004 -5.432 1.00 0.00 H new ATOM 366 N GLU A 24 8.299 -4.674 -6.379 1.00 0.00 N ATOM 367 CA GLU A 24 7.552 -3.777 -5.506 1.00 0.00 C ATOM 368 C GLU A 24 6.376 -3.163 -6.262 1.00 0.00 C ATOM 369 O GLU A 24 5.976 -3.670 -7.311 1.00 0.00 O ATOM 370 CB GLU A 24 8.471 -2.679 -4.964 1.00 0.00 C ATOM 371 CG GLU A 24 8.103 -2.216 -3.563 1.00 0.00 C ATOM 372 CD GLU A 24 9.101 -1.226 -2.994 1.00 0.00 C ATOM 373 OE1 GLU A 24 8.971 -0.019 -3.283 1.00 0.00 O ATOM 374 OE2 GLU A 24 10.013 -1.660 -2.259 1.00 0.00 O ATOM 0 H GLU A 24 8.451 -4.315 -7.322 1.00 0.00 H new ATOM 0 HA GLU A 24 7.162 -4.350 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.498 -3.045 -4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.441 -1.825 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.114 -1.758 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.039 -3.082 -2.904 1.00 0.00 H new ATOM 381 N LEU A 25 5.820 -2.076 -5.735 1.00 0.00 N ATOM 382 CA LEU A 25 4.686 -1.423 -6.377 1.00 0.00 C ATOM 383 C LEU A 25 4.689 0.080 -6.112 1.00 0.00 C ATOM 384 O LEU A 25 4.558 0.520 -4.969 1.00 0.00 O ATOM 385 CB LEU A 25 3.377 -2.044 -5.880 1.00 0.00 C ATOM 386 CG LEU A 25 2.173 -1.872 -6.810 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.077 -2.860 -6.443 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.641 -0.448 -6.750 1.00 0.00 C ATOM 0 H LEU A 25 6.134 -1.632 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 25 4.772 -1.574 -7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.539 -3.109 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.132 -1.607 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 25 2.499 -2.072 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.227 -2.726 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.457 -3.877 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.760 -2.686 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.786 -0.351 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.332 -0.218 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.423 0.246 -7.058 1.00 0.00 H new ATOM 400 N SER A 26 4.842 0.861 -7.178 1.00 0.00 N ATOM 401 CA SER A 26 4.853 2.316 -7.072 1.00 0.00 C ATOM 402 C SER A 26 3.464 2.882 -7.338 1.00 0.00 C ATOM 403 O SER A 26 2.645 2.251 -8.005 1.00 0.00 O ATOM 404 CB SER A 26 5.854 2.918 -8.061 1.00 0.00 C ATOM 405 OG SER A 26 5.474 2.649 -9.399 1.00 0.00 O ATOM 0 H SER A 26 4.960 0.509 -8.128 1.00 0.00 H new ATOM 0 HA SER A 26 5.154 2.580 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.918 3.995 -7.908 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.847 2.509 -7.872 1.00 0.00 H new ATOM 0 HG SER A 26 6.060 1.958 -9.773 1.00 0.00 H new ATOM 411 N PHE A 27 3.203 4.076 -6.817 1.00 0.00 N ATOM 412 CA PHE A 27 1.907 4.717 -7.003 1.00 0.00 C ATOM 413 C PHE A 27 1.972 6.203 -6.672 1.00 0.00 C ATOM 414 O PHE A 27 2.743 6.626 -5.810 1.00 0.00 O ATOM 415 CB PHE A 27 0.850 4.036 -6.132 1.00 0.00 C ATOM 416 CG PHE A 27 1.248 3.914 -4.687 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.005 4.946 -3.796 1.00 0.00 C ATOM 418 CD2 PHE A 27 1.865 2.765 -4.220 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.368 4.836 -2.468 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.232 2.648 -2.893 1.00 0.00 C ATOM 421 CZ PHE A 27 1.982 3.686 -2.016 1.00 0.00 C ATOM 0 H PHE A 27 3.868 4.617 -6.265 1.00 0.00 H new ATOM 0 HA PHE A 27 1.631 4.613 -8.052 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.081 4.600 -6.197 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.649 3.041 -6.530 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.525 5.849 -4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.062 1.951 -4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.172 5.649 -1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.713 1.747 -2.542 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.267 3.597 -0.978 1.00 0.00 H new ATOM 431 N SER A 28 1.157 6.988 -7.366 1.00 0.00 N ATOM 432 CA SER A 28 1.107 8.427 -7.149 1.00 0.00 C ATOM 433 C SER A 28 -0.327 8.876 -6.890 1.00 0.00 C ATOM 434 O SER A 28 -1.275 8.166 -7.225 1.00 0.00 O ATOM 435 CB SER A 28 1.682 9.169 -8.357 1.00 0.00 C ATOM 436 OG SER A 28 0.942 8.882 -9.531 1.00 0.00 O ATOM 0 H SER A 28 0.519 6.650 -8.087 1.00 0.00 H new ATOM 0 HA SER A 28 1.711 8.665 -6.273 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.669 10.242 -8.168 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.724 8.883 -8.501 1.00 0.00 H new ATOM 0 HG SER A 28 0.314 8.151 -9.352 1.00 0.00 H new ATOM 442 N LYS A 29 -0.474 10.053 -6.286 1.00 0.00 N ATOM 443 CA LYS A 29 -1.791 10.605 -5.975 1.00 0.00 C ATOM 444 C LYS A 29 -2.759 10.427 -7.143 1.00 0.00 C ATOM 445 O LYS A 29 -2.683 11.146 -8.141 1.00 0.00 O ATOM 446 CB LYS A 29 -1.671 12.088 -5.618 1.00 0.00 C ATOM 447 CG LYS A 29 -2.980 12.716 -5.164 1.00 0.00 C ATOM 448 CD LYS A 29 -2.817 14.199 -4.869 1.00 0.00 C ATOM 449 CE LYS A 29 -1.905 14.437 -3.675 1.00 0.00 C ATOM 450 NZ LYS A 29 -1.735 15.887 -3.384 1.00 0.00 N ATOM 0 H LYS A 29 0.306 10.645 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.189 10.059 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.930 12.203 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.299 12.632 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.737 12.579 -5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.339 12.204 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.408 14.702 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.794 14.641 -4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.317 13.937 -2.798 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.930 13.989 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.107 16.005 -2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.318 16.360 -4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.662 16.310 -3.174 1.00 0.00 H new ATOM 464 N GLY A 30 -3.667 9.463 -7.010 1.00 0.00 N ATOM 465 CA GLY A 30 -4.636 9.204 -8.060 1.00 0.00 C ATOM 466 C GLY A 30 -4.769 7.726 -8.379 1.00 0.00 C ATOM 467 O GLY A 30 -5.878 7.194 -8.429 1.00 0.00 O ATOM 0 H GLY A 30 -3.748 8.857 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.607 9.596 -7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.342 9.742 -8.961 1.00 0.00 H new ATOM 471 N ASP A 31 -3.635 7.064 -8.597 1.00 0.00 N ATOM 472 CA ASP A 31 -3.627 5.639 -8.916 1.00 0.00 C ATOM 473 C ASP A 31 -4.289 4.825 -7.808 1.00 0.00 C ATOM 474 O ASP A 31 -3.925 4.939 -6.638 1.00 0.00 O ATOM 475 CB ASP A 31 -2.193 5.151 -9.139 1.00 0.00 C ATOM 476 CG ASP A 31 -1.501 5.891 -10.267 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.925 6.967 -10.004 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.534 5.392 -11.412 1.00 0.00 O ATOM 0 H ASP A 31 -2.710 7.492 -8.558 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.198 5.497 -9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.621 5.278 -8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.205 4.084 -9.361 1.00 0.00 H new ATOM 483 N VAL A 32 -5.267 4.007 -8.187 1.00 0.00 N ATOM 484 CA VAL A 32 -5.986 3.171 -7.230 1.00 0.00 C ATOM 485 C VAL A 32 -5.337 1.797 -7.112 1.00 0.00 C ATOM 486 O VAL A 32 -4.974 1.185 -8.117 1.00 0.00 O ATOM 487 CB VAL A 32 -7.463 2.995 -7.631 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.267 2.427 -6.473 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.051 4.316 -8.104 1.00 0.00 C ATOM 0 H VAL A 32 -5.580 3.905 -9.152 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.940 3.680 -6.267 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.513 2.287 -8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.308 2.310 -6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.860 1.456 -6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.211 3.107 -5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.095 4.171 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.989 5.050 -7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.491 4.675 -8.968 1.00 0.00 H new ATOM 499 N ILE A 33 -5.199 1.310 -5.883 1.00 0.00 N ATOM 500 CA ILE A 33 -4.585 0.009 -5.639 1.00 0.00 C ATOM 501 C ILE A 33 -5.550 -0.931 -4.921 1.00 0.00 C ATOM 502 O ILE A 33 -6.174 -0.556 -3.929 1.00 0.00 O ATOM 503 CB ILE A 33 -3.294 0.145 -4.805 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.269 1.007 -5.546 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.708 -1.225 -4.496 1.00 0.00 C ATOM 506 CD1 ILE A 33 -2.455 2.494 -5.334 1.00 0.00 C ATOM 0 H ILE A 33 -5.504 1.797 -5.040 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.335 -0.411 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.544 0.633 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.268 0.725 -5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.330 0.791 -6.613 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.798 -1.107 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.432 -1.812 -3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.473 -1.739 -5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.692 3.039 -5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.443 2.791 -5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.364 2.724 -4.272 1.00 0.00 H new ATOM 518 N HIS A 34 -5.669 -2.155 -5.430 1.00 0.00 N ATOM 519 CA HIS A 34 -6.558 -3.150 -4.837 1.00 0.00 C ATOM 520 C HIS A 34 -5.803 -4.034 -3.850 1.00 0.00 C ATOM 521 O HIS A 34 -4.808 -4.664 -4.203 1.00 0.00 O ATOM 522 CB HIS A 34 -7.194 -4.015 -5.926 1.00 0.00 C ATOM 523 CG HIS A 34 -8.088 -3.248 -6.850 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.724 -2.903 -8.136 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.338 -2.760 -6.672 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.713 -2.236 -8.706 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.702 -2.137 -7.839 1.00 0.00 N ATOM 0 H HIS A 34 -5.161 -2.481 -6.252 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.344 -2.620 -4.299 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.405 -4.491 -6.508 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.769 -4.813 -5.456 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.937 -2.845 -5.778 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.711 -1.840 -9.711 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.594 -1.672 -8.009 1.00 0.00 H new ATOM 536 N VAL A 35 -6.287 -4.079 -2.612 1.00 0.00 N ATOM 537 CA VAL A 35 -5.658 -4.887 -1.573 1.00 0.00 C ATOM 538 C VAL A 35 -5.958 -6.371 -1.769 1.00 0.00 C ATOM 539 O VAL A 35 -7.041 -6.742 -2.223 1.00 0.00 O ATOM 540 CB VAL A 35 -6.126 -4.452 -0.169 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.409 -5.249 0.911 1.00 0.00 C ATOM 542 CG2 VAL A 35 -5.902 -2.960 0.026 1.00 0.00 C ATOM 0 H VAL A 35 -7.113 -3.565 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.582 -4.730 -1.653 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.194 -4.655 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.755 -4.925 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.623 -6.310 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.334 -5.084 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.237 -2.669 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.841 -2.734 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.467 -2.406 -0.724 1.00 0.00 H new ATOM 552 N THR A 36 -4.988 -7.216 -1.430 1.00 0.00 N ATOM 553 CA THR A 36 -5.147 -8.660 -1.569 1.00 0.00 C ATOM 554 C THR A 36 -4.947 -9.370 -0.235 1.00 0.00 C ATOM 555 O THR A 36 -5.441 -10.479 -0.032 1.00 0.00 O ATOM 556 CB THR A 36 -4.156 -9.240 -2.595 1.00 0.00 C ATOM 557 OG1 THR A 36 -2.812 -8.926 -2.213 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.436 -8.690 -3.986 1.00 0.00 C ATOM 0 H THR A 36 -4.084 -6.925 -1.057 1.00 0.00 H new ATOM 0 HA THR A 36 -6.165 -8.829 -1.919 1.00 0.00 H new ATOM 0 HB THR A 36 -4.281 -10.323 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.745 -7.970 -2.010 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.724 -9.113 -4.695 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.449 -8.958 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.336 -7.605 -3.975 1.00 0.00 H new ATOM 566 N ARG A 37 -4.219 -8.725 0.670 1.00 0.00 N ATOM 567 CA ARG A 37 -3.957 -9.296 1.986 1.00 0.00 C ATOM 568 C ARG A 37 -3.779 -8.198 3.028 1.00 0.00 C ATOM 569 O ARG A 37 -3.093 -7.204 2.789 1.00 0.00 O ATOM 570 CB ARG A 37 -2.711 -10.184 1.942 1.00 0.00 C ATOM 571 CG ARG A 37 -1.458 -9.452 1.491 1.00 0.00 C ATOM 572 CD ARG A 37 -0.252 -10.379 1.454 1.00 0.00 C ATOM 573 NE ARG A 37 -0.452 -11.501 0.541 1.00 0.00 N ATOM 574 CZ ARG A 37 0.503 -12.365 0.213 1.00 0.00 C ATOM 575 NH1 ARG A 37 1.723 -12.235 0.722 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.241 -13.360 -0.623 1.00 0.00 N ATOM 0 H ARG A 37 -3.800 -7.808 0.517 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.816 -9.904 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.539 -10.604 2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.895 -11.021 1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.621 -9.026 0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.258 -8.621 2.167 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.629 -9.815 1.148 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.055 -10.758 2.457 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.377 -11.629 0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.928 -11.471 1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.455 -12.899 0.469 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.695 -13.463 -1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.975 -14.022 -0.874 1.00 0.00 H new ATOM 590 N VAL A 38 -4.403 -8.385 4.187 1.00 0.00 N ATOM 591 CA VAL A 38 -4.314 -7.412 5.268 1.00 0.00 C ATOM 592 C VAL A 38 -3.619 -8.012 6.485 1.00 0.00 C ATOM 593 O VAL A 38 -4.219 -8.776 7.241 1.00 0.00 O ATOM 594 CB VAL A 38 -5.709 -6.902 5.682 1.00 0.00 C ATOM 595 CG1 VAL A 38 -5.589 -5.759 6.677 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.507 -6.471 4.459 1.00 0.00 C ATOM 0 H VAL A 38 -4.975 -9.202 4.401 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.728 -6.572 4.895 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.243 -7.720 6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.584 -5.414 6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.062 -6.105 7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.034 -4.938 6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.488 -6.114 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.978 -5.670 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.627 -7.320 3.785 1.00 0.00 H new ATOM 606 N GLU A 39 -2.349 -7.664 6.665 1.00 0.00 N ATOM 607 CA GLU A 39 -1.569 -8.166 7.791 1.00 0.00 C ATOM 608 C GLU A 39 -1.534 -7.145 8.924 1.00 0.00 C ATOM 609 O GLU A 39 -2.173 -6.095 8.844 1.00 0.00 O ATOM 610 CB GLU A 39 -0.144 -8.500 7.346 1.00 0.00 C ATOM 611 CG GLU A 39 -0.082 -9.498 6.200 1.00 0.00 C ATOM 612 CD GLU A 39 -0.733 -10.824 6.546 1.00 0.00 C ATOM 613 OE1 GLU A 39 -0.051 -11.681 7.147 1.00 0.00 O ATOM 614 OE2 GLU A 39 -1.923 -11.005 6.215 1.00 0.00 O ATOM 0 H GLU A 39 -1.838 -7.036 6.045 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.048 -9.074 8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.358 -7.581 7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.409 -8.901 8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.575 -9.073 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.960 -9.669 5.928 1.00 0.00 H new ATOM 621 N GLU A 40 -0.787 -7.460 9.978 1.00 0.00 N ATOM 622 CA GLU A 40 -0.669 -6.567 11.124 1.00 0.00 C ATOM 623 C GLU A 40 0.390 -5.497 10.873 1.00 0.00 C ATOM 624 O GLU A 40 1.579 -5.800 10.769 1.00 0.00 O ATOM 625 CB GLU A 40 -0.318 -7.362 12.382 1.00 0.00 C ATOM 626 CG GLU A 40 -0.308 -6.522 13.649 1.00 0.00 C ATOM 627 CD GLU A 40 0.046 -7.328 14.881 1.00 0.00 C ATOM 628 OE1 GLU A 40 -0.869 -7.932 15.480 1.00 0.00 O ATOM 629 OE2 GLU A 40 1.239 -7.356 15.250 1.00 0.00 O ATOM 0 H GLU A 40 -0.255 -8.326 10.061 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.630 -6.075 11.270 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.035 -8.174 12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.663 -7.819 12.251 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.407 -5.708 13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.289 -6.067 13.787 1.00 0.00 H new ATOM 636 N GLY A 41 -0.051 -4.246 10.779 1.00 0.00 N ATOM 637 CA GLY A 41 0.871 -3.149 10.538 1.00 0.00 C ATOM 638 C GLY A 41 0.423 -2.264 9.392 1.00 0.00 C ATOM 639 O GLY A 41 -0.742 -2.298 8.994 1.00 0.00 O ATOM 0 H GLY A 41 -1.030 -3.972 10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.963 -2.549 11.443 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.861 -3.550 10.319 1.00 0.00 H new ATOM 643 N GLY A 42 1.348 -1.470 8.859 1.00 0.00 N ATOM 644 CA GLY A 42 1.019 -0.587 7.758 1.00 0.00 C ATOM 645 C GLY A 42 1.589 -1.066 6.439 1.00 0.00 C ATOM 646 O GLY A 42 2.014 -0.261 5.614 1.00 0.00 O ATOM 0 H GLY A 42 2.318 -1.424 9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.065 -0.505 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.398 0.412 7.972 1.00 0.00 H new ATOM 650 N TRP A 43 1.620 -2.379 6.246 1.00 0.00 N ATOM 651 CA TRP A 43 2.146 -2.949 5.011 1.00 0.00 C ATOM 652 C TRP A 43 1.226 -4.023 4.445 1.00 0.00 C ATOM 653 O TRP A 43 1.025 -5.070 5.059 1.00 0.00 O ATOM 654 CB TRP A 43 3.543 -3.518 5.240 1.00 0.00 C ATOM 655 CG TRP A 43 4.625 -2.518 4.980 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.253 -1.726 5.897 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.195 -2.194 3.708 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.187 -0.935 5.273 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.171 -1.204 3.930 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.978 -2.650 2.404 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.928 -0.661 2.895 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.731 -2.109 1.378 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.696 -1.124 1.628 1.00 0.00 C ATOM 0 H TRP A 43 1.289 -3.066 6.924 1.00 0.00 H new ATOM 0 HA TRP A 43 2.203 -2.144 4.278 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.622 -3.873 6.267 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.689 -4.382 4.592 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.046 -1.722 6.957 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.794 -0.257 5.735 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.237 -3.409 2.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.672 0.099 3.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.573 -2.452 0.366 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.268 -0.722 0.805 1.00 0.00 H new ATOM 674 N TRP A 44 0.676 -3.755 3.264 1.00 0.00 N ATOM 675 CA TRP A 44 -0.213 -4.699 2.600 1.00 0.00 C ATOM 676 C TRP A 44 0.230 -4.933 1.159 1.00 0.00 C ATOM 677 O TRP A 44 0.952 -4.121 0.582 1.00 0.00 O ATOM 678 CB TRP A 44 -1.656 -4.187 2.608 1.00 0.00 C ATOM 679 CG TRP A 44 -2.201 -3.913 3.977 1.00 0.00 C ATOM 680 CD1 TRP A 44 -1.974 -4.631 5.117 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.080 -2.845 4.344 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.654 -4.071 6.170 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.343 -2.975 5.720 1.00 0.00 C ATOM 684 CE3 TRP A 44 -3.672 -1.792 3.641 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.169 -2.088 6.407 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -4.492 -0.913 4.322 1.00 0.00 C ATOM 687 CH2 TRP A 44 -4.735 -1.067 5.693 1.00 0.00 C ATOM 0 H TRP A 44 0.832 -2.889 2.747 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.166 -5.640 3.149 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.709 -3.272 2.018 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.293 -4.921 2.115 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.351 -5.511 5.181 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.648 -4.415 7.130 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.492 -1.668 2.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.356 -2.202 7.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.953 -0.094 3.789 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.383 -0.365 6.197 1.00 0.00 H new ATOM 698 N GLU A 45 -0.206 -6.048 0.587 1.00 0.00 N ATOM 699 CA GLU A 45 0.130 -6.387 -0.792 1.00 0.00 C ATOM 700 C GLU A 45 -1.071 -6.157 -1.703 1.00 0.00 C ATOM 701 O GLU A 45 -2.211 -6.406 -1.311 1.00 0.00 O ATOM 702 CB GLU A 45 0.583 -7.846 -0.886 1.00 0.00 C ATOM 703 CG GLU A 45 1.044 -8.251 -2.276 1.00 0.00 C ATOM 704 CD GLU A 45 1.349 -9.732 -2.378 1.00 0.00 C ATOM 705 OE1 GLU A 45 2.495 -10.126 -2.071 1.00 0.00 O ATOM 706 OE2 GLU A 45 0.444 -10.500 -2.765 1.00 0.00 O ATOM 0 H GLU A 45 -0.795 -6.735 1.057 1.00 0.00 H new ATOM 0 HA GLU A 45 0.947 -5.742 -1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.397 -8.011 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.239 -8.493 -0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.273 -7.991 -3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.935 -7.681 -2.540 1.00 0.00 H new ATOM 713 N GLY A 46 -0.814 -5.680 -2.917 1.00 0.00 N ATOM 714 CA GLY A 46 -1.897 -5.422 -3.850 1.00 0.00 C ATOM 715 C GLY A 46 -1.477 -5.558 -5.300 1.00 0.00 C ATOM 716 O GLY A 46 -0.365 -5.997 -5.596 1.00 0.00 O ATOM 0 H GLY A 46 0.119 -5.468 -3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.715 -6.114 -3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.282 -4.416 -3.682 1.00 0.00 H new ATOM 720 N THR A 47 -2.374 -5.177 -6.205 1.00 0.00 N ATOM 721 CA THR A 47 -2.105 -5.260 -7.636 1.00 0.00 C ATOM 722 C THR A 47 -2.466 -3.958 -8.348 1.00 0.00 C ATOM 723 O THR A 47 -3.413 -3.270 -7.966 1.00 0.00 O ATOM 724 CB THR A 47 -2.890 -6.418 -8.280 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.488 -7.664 -7.701 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.670 -6.462 -9.786 1.00 0.00 C ATOM 0 H THR A 47 -3.295 -4.807 -5.971 1.00 0.00 H new ATOM 0 HA THR A 47 -1.036 -5.441 -7.747 1.00 0.00 H new ATOM 0 HB THR A 47 -3.950 -6.251 -8.091 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.993 -8.395 -8.115 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.237 -7.290 -10.212 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.006 -5.525 -10.230 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.609 -6.603 -9.995 1.00 0.00 H new ATOM 734 N LEU A 48 -1.699 -3.631 -9.383 1.00 0.00 N ATOM 735 CA LEU A 48 -1.932 -2.425 -10.167 1.00 0.00 C ATOM 736 C LEU A 48 -1.490 -2.644 -11.611 1.00 0.00 C ATOM 737 O LEU A 48 -0.741 -3.577 -11.902 1.00 0.00 O ATOM 738 CB LEU A 48 -1.194 -1.229 -9.554 1.00 0.00 C ATOM 739 CG LEU A 48 -1.458 0.121 -10.230 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.951 0.407 -10.296 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.739 1.240 -9.491 1.00 0.00 C ATOM 0 H LEU A 48 -0.906 -4.189 -9.699 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.000 -2.206 -10.157 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.473 -1.151 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.123 -1.429 -9.586 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.070 0.072 -11.248 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.116 1.370 -10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.447 -0.376 -10.869 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.362 0.433 -9.287 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.939 2.190 -9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.096 1.285 -8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.334 1.048 -9.494 1.00 0.00 H new ATOM 753 N ASN A 49 -1.962 -1.785 -12.510 1.00 0.00 N ATOM 754 CA ASN A 49 -1.629 -1.885 -13.929 1.00 0.00 C ATOM 755 C ASN A 49 -0.125 -2.032 -14.147 1.00 0.00 C ATOM 756 O ASN A 49 0.613 -1.046 -14.146 1.00 0.00 O ATOM 757 CB ASN A 49 -2.146 -0.657 -14.680 1.00 0.00 C ATOM 758 CG ASN A 49 -3.642 -0.470 -14.520 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.388 -1.439 -14.367 1.00 0.00 O ATOM 760 ND2 ASN A 49 -4.090 0.779 -14.555 1.00 0.00 N ATOM 0 H ASN A 49 -2.580 -1.007 -12.280 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.113 -2.780 -14.319 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.630 0.232 -14.316 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.906 -0.754 -15.739 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.088 0.966 -14.453 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.437 1.552 -14.684 1.00 0.00 H new ATOM 767 N GLY A 50 0.319 -3.273 -14.330 1.00 0.00 N ATOM 768 CA GLY A 50 1.729 -3.538 -14.562 1.00 0.00 C ATOM 769 C GLY A 50 2.565 -3.494 -13.296 1.00 0.00 C ATOM 770 O GLY A 50 3.694 -3.987 -13.279 1.00 0.00 O ATOM 0 H GLY A 50 -0.275 -4.102 -14.322 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.836 -4.519 -15.025 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.117 -2.807 -15.271 1.00 0.00 H new ATOM 774 N ARG A 51 2.019 -2.907 -12.236 1.00 0.00 N ATOM 775 CA ARG A 51 2.735 -2.803 -10.968 1.00 0.00 C ATOM 776 C ARG A 51 2.160 -3.765 -9.935 1.00 0.00 C ATOM 777 O ARG A 51 0.985 -3.680 -9.581 1.00 0.00 O ATOM 778 CB ARG A 51 2.670 -1.371 -10.438 1.00 0.00 C ATOM 779 CG ARG A 51 3.328 -0.355 -11.355 1.00 0.00 C ATOM 780 CD ARG A 51 3.160 1.063 -10.830 1.00 0.00 C ATOM 781 NE ARG A 51 3.730 2.052 -11.741 1.00 0.00 N ATOM 782 CZ ARG A 51 3.482 3.356 -11.667 1.00 0.00 C ATOM 783 NH1 ARG A 51 2.684 3.832 -10.721 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.035 4.187 -12.540 1.00 0.00 N ATOM 0 H ARG A 51 1.085 -2.497 -12.229 1.00 0.00 H new ATOM 0 HA ARG A 51 3.776 -3.071 -11.146 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.626 -1.094 -10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.151 -1.332 -9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.389 -0.585 -11.452 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.894 -0.429 -12.352 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.100 1.273 -10.683 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.640 1.148 -9.855 1.00 0.00 H new ATOM 0 HE ARG A 51 4.355 1.723 -12.477 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.258 3.197 -10.046 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.497 4.833 -10.668 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.651 3.826 -13.268 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.845 5.187 -12.483 1.00 0.00 H new ATOM 798 N THR A 52 2.997 -4.678 -9.452 1.00 0.00 N ATOM 799 CA THR A 52 2.570 -5.654 -8.455 1.00 0.00 C ATOM 800 C THR A 52 3.634 -5.846 -7.379 1.00 0.00 C ATOM 801 O THR A 52 4.794 -6.126 -7.681 1.00 0.00 O ATOM 802 CB THR A 52 2.255 -7.017 -9.103 1.00 0.00 C ATOM 803 OG1 THR A 52 1.275 -6.853 -10.135 1.00 0.00 O ATOM 804 CG2 THR A 52 1.743 -8.004 -8.064 1.00 0.00 C ATOM 0 H THR A 52 3.974 -4.762 -9.734 1.00 0.00 H new ATOM 0 HA THR A 52 1.663 -5.261 -7.996 1.00 0.00 H new ATOM 0 HB THR A 52 3.175 -7.411 -9.534 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.081 -7.723 -10.543 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.527 -8.959 -8.544 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.501 -8.148 -7.294 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.833 -7.613 -7.608 1.00 0.00 H new ATOM 812 N GLY A 53 3.227 -5.696 -6.123 1.00 0.00 N ATOM 813 CA GLY A 53 4.153 -5.855 -5.017 1.00 0.00 C ATOM 814 C GLY A 53 3.600 -5.307 -3.717 1.00 0.00 C ATOM 815 O GLY A 53 2.409 -5.007 -3.618 1.00 0.00 O ATOM 0 H GLY A 53 2.271 -5.467 -5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.387 -6.912 -4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.088 -5.347 -5.254 1.00 0.00 H new ATOM 819 N TRP A 54 4.465 -5.175 -2.716 1.00 0.00 N ATOM 820 CA TRP A 54 4.059 -4.659 -1.414 1.00 0.00 C ATOM 821 C TRP A 54 3.978 -3.134 -1.428 1.00 0.00 C ATOM 822 O TRP A 54 4.699 -2.471 -2.175 1.00 0.00 O ATOM 823 CB TRP A 54 5.043 -5.110 -0.332 1.00 0.00 C ATOM 824 CG TRP A 54 5.044 -6.591 -0.099 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.823 -7.520 -0.727 1.00 0.00 C ATOM 826 CD2 TRP A 54 4.228 -7.313 0.830 1.00 0.00 C ATOM 827 NE1 TRP A 54 5.541 -8.776 -0.244 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.565 -8.674 0.713 1.00 0.00 C ATOM 829 CE3 TRP A 54 3.245 -6.940 1.751 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.953 -9.662 1.481 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.639 -7.921 2.513 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.995 -9.267 2.375 1.00 0.00 C ATOM 0 H TRP A 54 5.453 -5.419 -2.782 1.00 0.00 H new ATOM 0 HA TRP A 54 3.069 -5.058 -1.192 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.048 -4.794 -0.613 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.799 -4.604 0.602 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.554 -7.300 -1.491 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.985 -9.642 -0.548 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.964 -5.903 1.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 4.225 -10.702 1.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.878 -7.644 3.227 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.504 -10.009 2.986 1.00 0.00 H new ATOM 843 N PHE A 55 3.099 -2.587 -0.593 1.00 0.00 N ATOM 844 CA PHE A 55 2.928 -1.141 -0.501 1.00 0.00 C ATOM 845 C PHE A 55 2.483 -0.738 0.907 1.00 0.00 C ATOM 846 O PHE A 55 1.707 -1.451 1.544 1.00 0.00 O ATOM 847 CB PHE A 55 1.914 -0.648 -1.539 1.00 0.00 C ATOM 848 CG PHE A 55 0.505 -1.118 -1.300 1.00 0.00 C ATOM 849 CD1 PHE A 55 0.079 -2.345 -1.778 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.394 -0.325 -0.604 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.218 -2.775 -1.566 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.691 -0.750 -0.388 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.104 -1.977 -0.869 1.00 0.00 C ATOM 0 H PHE A 55 2.494 -3.123 0.029 1.00 0.00 H new ATOM 0 HA PHE A 55 3.890 -0.673 -0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.924 0.442 -1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.233 -0.980 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.768 -2.974 -2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.077 0.636 -0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.538 -3.734 -1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.381 -0.123 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.117 -2.312 -0.701 1.00 0.00 H new ATOM 863 N PRO A 56 2.972 0.413 1.414 1.00 0.00 N ATOM 864 CA PRO A 56 2.623 0.897 2.755 1.00 0.00 C ATOM 865 C PRO A 56 1.135 1.198 2.901 1.00 0.00 C ATOM 866 O PRO A 56 0.398 1.236 1.918 1.00 0.00 O ATOM 867 CB PRO A 56 3.441 2.186 2.908 1.00 0.00 C ATOM 868 CG PRO A 56 4.499 2.107 1.862 1.00 0.00 C ATOM 869 CD PRO A 56 3.899 1.328 0.728 1.00 0.00 C ATOM 0 HA PRO A 56 2.840 0.147 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.815 3.068 2.769 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.877 2.259 3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.801 3.102 1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.392 1.613 2.246 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.379 1.976 0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.658 0.786 0.163 1.00 0.00 H new ATOM 877 N SER A 57 0.706 1.413 4.141 1.00 0.00 N ATOM 878 CA SER A 57 -0.690 1.715 4.433 1.00 0.00 C ATOM 879 C SER A 57 -0.826 3.130 4.976 1.00 0.00 C ATOM 880 O SER A 57 -1.908 3.716 4.950 1.00 0.00 O ATOM 881 CB SER A 57 -1.252 0.716 5.444 1.00 0.00 C ATOM 882 OG SER A 57 -2.590 1.035 5.786 1.00 0.00 O ATOM 0 H SER A 57 1.309 1.383 4.963 1.00 0.00 H new ATOM 0 HA SER A 57 -1.257 1.637 3.506 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.210 -0.290 5.028 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.634 0.716 6.342 1.00 0.00 H new ATOM 0 HG SER A 57 -3.198 0.393 5.363 1.00 0.00 H new ATOM 888 N ASN A 58 0.282 3.675 5.468 1.00 0.00 N ATOM 889 CA ASN A 58 0.290 5.027 6.014 1.00 0.00 C ATOM 890 C ASN A 58 0.424 6.055 4.896 1.00 0.00 C ATOM 891 O ASN A 58 0.163 7.241 5.093 1.00 0.00 O ATOM 892 CB ASN A 58 1.436 5.187 7.018 1.00 0.00 C ATOM 893 CG ASN A 58 1.424 6.542 7.699 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.369 7.153 7.874 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.601 7.020 8.086 1.00 0.00 N ATOM 0 H ASN A 58 1.185 3.202 5.500 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.656 5.196 6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.366 4.404 7.773 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.387 5.050 6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.656 7.927 8.548 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.450 6.480 7.921 1.00 0.00 H new ATOM 902 N TYR A 59 0.831 5.588 3.719 1.00 0.00 N ATOM 903 CA TYR A 59 0.990 6.458 2.560 1.00 0.00 C ATOM 904 C TYR A 59 -0.257 6.417 1.683 1.00 0.00 C ATOM 905 O TYR A 59 -0.371 7.161 0.710 1.00 0.00 O ATOM 906 CB TYR A 59 2.217 6.043 1.745 1.00 0.00 C ATOM 907 CG TYR A 59 3.358 7.032 1.822 1.00 0.00 C ATOM 908 CD1 TYR A 59 4.014 7.275 3.021 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.780 7.724 0.694 1.00 0.00 C ATOM 910 CE1 TYR A 59 5.055 8.179 3.097 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.820 8.630 0.759 1.00 0.00 C ATOM 912 CZ TYR A 59 5.454 8.855 1.963 1.00 0.00 C ATOM 913 OH TYR A 59 6.492 9.756 2.033 1.00 0.00 O ATOM 0 H TYR A 59 1.057 4.609 3.544 1.00 0.00 H new ATOM 0 HA TYR A 59 1.132 7.478 2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.565 5.072 2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.925 5.918 0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.704 6.747 3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.286 7.550 -0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.554 8.356 4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.135 9.159 -0.128 1.00 0.00 H new ATOM 0 HH TYR A 59 6.648 10.145 1.147 1.00 0.00 H new ATOM 923 N VAL A 60 -1.187 5.532 2.035 1.00 0.00 N ATOM 924 CA VAL A 60 -2.431 5.386 1.290 1.00 0.00 C ATOM 925 C VAL A 60 -3.638 5.447 2.225 1.00 0.00 C ATOM 926 O VAL A 60 -3.495 5.315 3.439 1.00 0.00 O ATOM 927 CB VAL A 60 -2.457 4.062 0.501 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.468 4.112 -0.652 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.155 2.883 1.415 1.00 0.00 C ATOM 0 H VAL A 60 -1.100 4.904 2.834 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.485 6.215 0.585 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.458 3.926 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.499 3.170 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.732 4.930 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.463 4.273 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.179 1.959 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.167 3.009 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.903 2.835 2.206 1.00 0.00 H new ATOM 939 N ARG A 61 -4.824 5.647 1.655 1.00 0.00 N ATOM 940 CA ARG A 61 -6.047 5.730 2.451 1.00 0.00 C ATOM 941 C ARG A 61 -7.187 4.952 1.800 1.00 0.00 C ATOM 942 O ARG A 61 -7.430 5.072 0.600 1.00 0.00 O ATOM 943 CB ARG A 61 -6.460 7.192 2.642 1.00 0.00 C ATOM 944 CG ARG A 61 -6.722 7.931 1.339 1.00 0.00 C ATOM 945 CD ARG A 61 -7.254 9.333 1.592 1.00 0.00 C ATOM 946 NE ARG A 61 -7.545 10.041 0.348 1.00 0.00 N ATOM 947 CZ ARG A 61 -8.200 11.197 0.292 1.00 0.00 C ATOM 948 NH1 ARG A 61 -8.624 11.778 1.408 1.00 0.00 N ATOM 949 NH2 ARG A 61 -8.429 11.774 -0.879 1.00 0.00 N ATOM 0 H ARG A 61 -4.965 5.754 0.650 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.840 5.284 3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.359 7.228 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.676 7.712 3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.800 7.989 0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.440 7.371 0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.160 9.274 2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.523 9.899 2.169 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.228 9.625 -0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.448 11.338 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.126 12.665 1.362 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.103 11.331 -1.738 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.931 12.661 -0.921 1.00 0.00 H new ATOM 963 N GLU A 62 -7.883 4.154 2.607 1.00 0.00 N ATOM 964 CA GLU A 62 -9.000 3.350 2.123 1.00 0.00 C ATOM 965 C GLU A 62 -10.033 4.213 1.404 1.00 0.00 C ATOM 966 O GLU A 62 -10.719 5.026 2.025 1.00 0.00 O ATOM 967 CB GLU A 62 -9.658 2.610 3.290 1.00 0.00 C ATOM 968 CG GLU A 62 -10.839 1.744 2.878 1.00 0.00 C ATOM 969 CD GLU A 62 -11.487 1.046 4.058 1.00 0.00 C ATOM 970 OE1 GLU A 62 -12.351 1.667 4.713 1.00 0.00 O ATOM 971 OE2 GLU A 62 -11.132 -0.121 4.328 1.00 0.00 O ATOM 0 H GLU A 62 -7.691 4.048 3.603 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.609 2.625 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.912 1.983 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.993 3.339 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.581 2.363 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.504 0.998 2.158 1.00 0.00 H new ATOM 978 N VAL A 63 -10.137 4.030 0.090 1.00 0.00 N ATOM 979 CA VAL A 63 -11.090 4.786 -0.714 1.00 0.00 C ATOM 980 C VAL A 63 -12.328 3.949 -1.019 1.00 0.00 C ATOM 981 O VAL A 63 -12.236 2.734 -1.196 1.00 0.00 O ATOM 982 CB VAL A 63 -10.456 5.258 -2.039 1.00 0.00 C ATOM 983 CG1 VAL A 63 -10.029 4.067 -2.886 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.419 6.152 -2.808 1.00 0.00 C ATOM 0 H VAL A 63 -9.573 3.365 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.380 5.660 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.566 5.842 -1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.585 4.422 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.297 3.474 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.899 3.451 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.952 6.474 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.330 5.597 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.665 7.026 -2.205 1.00 0.00 H new ATOM 994 N LYS A 64 -13.485 4.606 -1.074 1.00 0.00 N ATOM 995 CA LYS A 64 -14.745 3.924 -1.354 1.00 0.00 C ATOM 996 C LYS A 64 -15.017 2.833 -0.321 1.00 0.00 C ATOM 997 O LYS A 64 -14.579 1.693 -0.476 1.00 0.00 O ATOM 998 CB LYS A 64 -14.726 3.321 -2.762 1.00 0.00 C ATOM 999 CG LYS A 64 -15.995 2.563 -3.123 1.00 0.00 C ATOM 1000 CD LYS A 64 -17.193 3.494 -3.247 1.00 0.00 C ATOM 1001 CE LYS A 64 -17.079 4.393 -4.468 1.00 0.00 C ATOM 1002 NZ LYS A 64 -18.296 5.229 -4.660 1.00 0.00 N ATOM 0 H LYS A 64 -13.575 5.611 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.546 4.661 -1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.573 4.120 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.874 2.646 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.847 2.034 -4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.197 1.809 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -18.107 2.904 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.273 4.107 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.208 5.040 -4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.916 3.781 -5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.177 5.827 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.124 4.613 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.438 5.832 -3.825 1.00 0.00 H new ATOM 1016 N ALA A 65 -15.739 3.192 0.736 1.00 0.00 N ATOM 1017 CA ALA A 65 -16.070 2.243 1.793 1.00 0.00 C ATOM 1018 C ALA A 65 -17.238 1.352 1.382 1.00 0.00 C ATOM 1019 O ALA A 65 -18.397 1.749 1.625 1.00 0.00 O ATOM 1020 CB ALA A 65 -16.391 2.981 3.083 1.00 0.00 C ATOM 1021 OXT ALA A 65 -16.984 0.268 0.818 1.00 0.00 O ATOM 0 H ALA A 65 -16.106 4.132 0.883 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.203 1.605 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.636 2.260 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.526 3.569 3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.241 3.644 2.921 1.00 0.00 H new TER 1027 ALA A 65 ATOM 1028 N ASP B 183 -6.390 20.451 8.917 1.00 0.00 N ATOM 1029 CA ASP B 183 -5.698 19.148 9.094 1.00 0.00 C ATOM 1030 C ASP B 183 -4.326 19.165 8.427 1.00 0.00 C ATOM 1031 O ASP B 183 -4.181 19.623 7.293 1.00 0.00 O ATOM 1032 CB ASP B 183 -6.547 18.016 8.510 1.00 0.00 C ATOM 1033 CG ASP B 183 -5.910 16.655 8.702 1.00 0.00 C ATOM 1034 OD1 ASP B 183 -5.100 16.251 7.840 1.00 0.00 O ATOM 1035 OD2 ASP B 183 -6.220 15.991 9.714 1.00 0.00 O ATOM 0 HA ASP B 183 -5.560 18.979 10.162 1.00 0.00 H new ATOM 0 HB2 ASP B 183 -7.530 18.023 8.981 1.00 0.00 H new ATOM 0 HB3 ASP B 183 -6.702 18.194 7.446 1.00 0.00 H new ATOM 1042 N ALA B 184 -3.321 18.663 9.140 1.00 0.00 N ATOM 1043 CA ALA B 184 -1.960 18.620 8.618 1.00 0.00 C ATOM 1044 C ALA B 184 -1.507 17.184 8.381 1.00 0.00 C ATOM 1045 O ALA B 184 -2.187 16.236 8.774 1.00 0.00 O ATOM 1046 CB ALA B 184 -1.008 19.323 9.574 1.00 0.00 C ATOM 0 H ALA B 184 -3.424 18.281 10.080 1.00 0.00 H new ATOM 0 HA ALA B 184 -1.948 19.140 7.660 1.00 0.00 H new ATOM 0 HB1 ALA B 184 0.005 19.284 9.173 1.00 0.00 H new ATOM 0 HB2 ALA B 184 -1.312 20.363 9.691 1.00 0.00 H new ATOM 0 HB3 ALA B 184 -1.034 18.826 10.544 1.00 0.00 H new ATOM 1052 N THR B 185 -0.354 17.031 7.736 1.00 0.00 N ATOM 1053 CA THR B 185 0.192 15.712 7.450 1.00 0.00 C ATOM 1054 C THR B 185 0.715 15.052 8.724 1.00 0.00 C ATOM 1055 O THR B 185 1.135 15.740 9.655 1.00 0.00 O ATOM 1056 CB THR B 185 1.333 15.787 6.417 1.00 0.00 C ATOM 1057 OG1 THR B 185 2.376 16.642 6.900 1.00 0.00 O ATOM 1058 CG2 THR B 185 0.820 16.307 5.082 1.00 0.00 C ATOM 0 H THR B 185 0.219 17.806 7.402 1.00 0.00 H new ATOM 0 HA THR B 185 -0.620 15.113 7.037 1.00 0.00 H new ATOM 0 HB THR B 185 1.728 14.782 6.270 1.00 0.00 H new ATOM 0 HG1 THR B 185 3.098 16.683 6.239 1.00 0.00 H new ATOM 0 HG21 THR B 185 1.643 16.351 4.368 1.00 0.00 H new ATOM 0 HG22 THR B 185 0.047 15.638 4.704 1.00 0.00 H new ATOM 0 HG23 THR B 185 0.402 17.305 5.216 1.00 0.00 H new ATOM 1066 N PRO B 186 0.696 13.706 8.787 1.00 0.00 N ATOM 1067 CA PRO B 186 1.172 12.969 9.963 1.00 0.00 C ATOM 1068 C PRO B 186 2.688 13.077 10.136 1.00 0.00 C ATOM 1069 O PRO B 186 3.429 13.032 9.153 1.00 0.00 O ATOM 1070 CB PRO B 186 0.768 11.522 9.664 1.00 0.00 C ATOM 1071 CG PRO B 186 0.688 11.449 8.179 1.00 0.00 C ATOM 1072 CD PRO B 186 0.213 12.801 7.725 1.00 0.00 C ATOM 0 HA PRO B 186 0.750 13.359 10.889 1.00 0.00 H new ATOM 0 HB2 PRO B 186 1.502 10.817 10.056 1.00 0.00 H new ATOM 0 HB3 PRO B 186 -0.189 11.275 10.124 1.00 0.00 H new ATOM 0 HG2 PRO B 186 1.660 11.211 7.747 1.00 0.00 H new ATOM 0 HG3 PRO B 186 -0.002 10.666 7.863 1.00 0.00 H new ATOM 0 HD2 PRO B 186 0.626 13.066 6.752 1.00 0.00 H new ATOM 0 HD3 PRO B 186 -0.872 12.835 7.631 1.00 0.00 H new ATOM 1080 N PRO B 187 3.171 13.227 11.387 1.00 0.00 N ATOM 1081 CA PRO B 187 4.606 13.340 11.670 1.00 0.00 C ATOM 1082 C PRO B 187 5.445 12.257 10.978 1.00 0.00 C ATOM 1083 O PRO B 187 6.461 12.572 10.358 1.00 0.00 O ATOM 1084 CB PRO B 187 4.683 13.208 13.193 1.00 0.00 C ATOM 1085 CG PRO B 187 3.363 13.701 13.675 1.00 0.00 C ATOM 1086 CD PRO B 187 2.362 13.310 12.622 1.00 0.00 C ATOM 0 HA PRO B 187 5.017 14.276 11.292 1.00 0.00 H new ATOM 0 HB2 PRO B 187 4.855 12.175 13.494 1.00 0.00 H new ATOM 0 HB3 PRO B 187 5.502 13.800 13.602 1.00 0.00 H new ATOM 0 HG2 PRO B 187 3.109 13.257 14.638 1.00 0.00 H new ATOM 0 HG3 PRO B 187 3.378 14.782 13.816 1.00 0.00 H new ATOM 0 HD2 PRO B 187 1.887 12.357 12.855 1.00 0.00 H new ATOM 0 HD3 PRO B 187 1.566 14.049 12.531 1.00 0.00 H new ATOM 1094 N PRO B 188 5.049 10.965 11.064 1.00 0.00 N ATOM 1095 CA PRO B 188 5.798 9.881 10.423 1.00 0.00 C ATOM 1096 C PRO B 188 5.537 9.820 8.921 1.00 0.00 C ATOM 1097 O PRO B 188 4.634 10.484 8.414 1.00 0.00 O ATOM 1098 CB PRO B 188 5.262 8.631 11.115 1.00 0.00 C ATOM 1099 CG PRO B 188 3.860 8.977 11.476 1.00 0.00 C ATOM 1100 CD PRO B 188 3.860 10.452 11.783 1.00 0.00 C ATOM 0 HA PRO B 188 6.876 10.006 10.521 1.00 0.00 H new ATOM 0 HB2 PRO B 188 5.300 7.765 10.454 1.00 0.00 H new ATOM 0 HB3 PRO B 188 5.850 8.384 11.999 1.00 0.00 H new ATOM 0 HG2 PRO B 188 3.179 8.750 10.656 1.00 0.00 H new ATOM 0 HG3 PRO B 188 3.525 8.399 12.338 1.00 0.00 H new ATOM 0 HD2 PRO B 188 2.945 10.932 11.436 1.00 0.00 H new ATOM 0 HD3 PRO B 188 3.930 10.637 12.855 1.00 0.00 H new ATOM 1108 N VAL B 189 6.331 9.022 8.214 1.00 0.00 N ATOM 1109 CA VAL B 189 6.176 8.882 6.771 1.00 0.00 C ATOM 1110 C VAL B 189 5.611 7.514 6.396 1.00 0.00 C ATOM 1111 O VAL B 189 4.442 7.398 6.030 1.00 0.00 O ATOM 1112 CB VAL B 189 7.509 9.109 6.026 1.00 0.00 C ATOM 1113 CG1 VAL B 189 7.700 10.585 5.720 1.00 0.00 C ATOM 1114 CG2 VAL B 189 8.684 8.577 6.836 1.00 0.00 C ATOM 0 H VAL B 189 7.085 8.465 8.615 1.00 0.00 H new ATOM 0 HA VAL B 189 5.469 9.652 6.463 1.00 0.00 H new ATOM 0 HB VAL B 189 7.470 8.559 5.086 1.00 0.00 H new ATOM 0 HG11 VAL B 189 8.644 10.728 5.195 1.00 0.00 H new ATOM 0 HG12 VAL B 189 6.880 10.936 5.094 1.00 0.00 H new ATOM 0 HG13 VAL B 189 7.713 11.151 6.651 1.00 0.00 H new ATOM 0 HG21 VAL B 189 9.611 8.749 6.289 1.00 0.00 H new ATOM 0 HG22 VAL B 189 8.728 9.093 7.795 1.00 0.00 H new ATOM 0 HG23 VAL B 189 8.556 7.508 7.004 1.00 0.00 H new ATOM 1124 N ILE B 190 6.443 6.480 6.491 1.00 0.00 N ATOM 1125 CA ILE B 190 6.018 5.126 6.154 1.00 0.00 C ATOM 1126 C ILE B 190 6.020 4.224 7.384 1.00 0.00 C ATOM 1127 O ILE B 190 6.949 4.258 8.190 1.00 0.00 O ATOM 1128 CB ILE B 190 6.927 4.510 5.070 1.00 0.00 C ATOM 1129 CG1 ILE B 190 6.861 5.343 3.787 1.00 0.00 C ATOM 1130 CG2 ILE B 190 6.521 3.069 4.791 1.00 0.00 C ATOM 1131 CD1 ILE B 190 7.902 4.958 2.759 1.00 0.00 C ATOM 0 H ILE B 190 7.413 6.554 6.798 1.00 0.00 H new ATOM 0 HA ILE B 190 5.001 5.198 5.768 1.00 0.00 H new ATOM 0 HB ILE B 190 7.954 4.513 5.434 1.00 0.00 H new ATOM 0 HG12 ILE B 190 5.870 5.236 3.345 1.00 0.00 H new ATOM 0 HG13 ILE B 190 6.985 6.396 4.041 1.00 0.00 H new ATOM 0 HG21 ILE B 190 7.172 2.649 4.024 1.00 0.00 H new ATOM 0 HG22 ILE B 190 6.612 2.482 5.705 1.00 0.00 H new ATOM 0 HG23 ILE B 190 5.488 3.043 4.444 1.00 0.00 H new ATOM 0 HD11 ILE B 190 7.794 5.590 1.878 1.00 0.00 H new ATOM 0 HD12 ILE B 190 8.898 5.092 3.182 1.00 0.00 H new ATOM 0 HD13 ILE B 190 7.765 3.914 2.476 1.00 0.00 H new ATOM 1143 N ALA B 191 4.970 3.418 7.520 1.00 0.00 N ATOM 1144 CA ALA B 191 4.846 2.503 8.648 1.00 0.00 C ATOM 1145 C ALA B 191 5.757 1.287 8.475 1.00 0.00 C ATOM 1146 O ALA B 191 6.058 0.889 7.350 1.00 0.00 O ATOM 1147 CB ALA B 191 3.398 2.058 8.805 1.00 0.00 C ATOM 0 H ALA B 191 4.192 3.381 6.861 1.00 0.00 H new ATOM 0 HA ALA B 191 5.156 3.032 9.549 1.00 0.00 H new ATOM 0 HB1 ALA B 191 3.317 1.375 9.650 1.00 0.00 H new ATOM 0 HB2 ALA B 191 2.767 2.929 8.981 1.00 0.00 H new ATOM 0 HB3 ALA B 191 3.073 1.551 7.897 1.00 0.00 H new ATOM 1153 N PRO B 192 6.210 0.682 9.589 1.00 0.00 N ATOM 1154 CA PRO B 192 7.085 -0.492 9.548 1.00 0.00 C ATOM 1155 C PRO B 192 6.313 -1.779 9.281 1.00 0.00 C ATOM 1156 O PRO B 192 5.169 -1.928 9.712 1.00 0.00 O ATOM 1157 CB PRO B 192 7.687 -0.516 10.951 1.00 0.00 C ATOM 1158 CG PRO B 192 6.627 0.067 11.818 1.00 0.00 C ATOM 1159 CD PRO B 192 5.913 1.096 10.977 1.00 0.00 C ATOM 0 HA PRO B 192 7.822 -0.431 8.747 1.00 0.00 H new ATOM 0 HB2 PRO B 192 7.938 -1.531 11.258 1.00 0.00 H new ATOM 0 HB3 PRO B 192 8.606 0.068 10.999 1.00 0.00 H new ATOM 0 HG2 PRO B 192 5.936 -0.704 12.160 1.00 0.00 H new ATOM 0 HG3 PRO B 192 7.060 0.524 12.708 1.00 0.00 H new ATOM 0 HD2 PRO B 192 4.841 1.099 11.173 1.00 0.00 H new ATOM 0 HD3 PRO B 192 6.277 2.103 11.181 1.00 0.00 H new ATOM 1167 N ARG B 193 6.942 -2.708 8.566 1.00 0.00 N ATOM 1168 CA ARG B 193 6.309 -3.983 8.250 1.00 0.00 C ATOM 1169 C ARG B 193 6.344 -4.933 9.451 1.00 0.00 C ATOM 1170 O ARG B 193 5.313 -5.493 9.825 1.00 0.00 O ATOM 1171 CB ARG B 193 6.979 -4.631 7.033 1.00 0.00 C ATOM 1172 CG ARG B 193 6.351 -5.954 6.624 1.00 0.00 C ATOM 1173 CD ARG B 193 6.979 -6.498 5.352 1.00 0.00 C ATOM 1174 NE ARG B 193 8.407 -6.757 5.511 1.00 0.00 N ATOM 1175 CZ ARG B 193 9.179 -7.244 4.543 1.00 0.00 C ATOM 1176 NH1 ARG B 193 8.656 -7.534 3.359 1.00 0.00 N ATOM 1177 NH2 ARG B 193 10.472 -7.443 4.759 1.00 0.00 N ATOM 0 H ARG B 193 7.887 -2.601 8.196 1.00 0.00 H new ATOM 0 HA ARG B 193 5.265 -3.786 8.008 1.00 0.00 H new ATOM 0 HB2 ARG B 193 6.931 -3.940 6.191 1.00 0.00 H new ATOM 0 HB3 ARG B 193 8.034 -4.792 7.253 1.00 0.00 H new ATOM 0 HG2 ARG B 193 6.470 -6.679 7.429 1.00 0.00 H new ATOM 0 HG3 ARG B 193 5.280 -5.819 6.473 1.00 0.00 H new ATOM 0 HD2 ARG B 193 6.474 -7.420 5.065 1.00 0.00 H new ATOM 0 HD3 ARG B 193 6.828 -5.786 4.541 1.00 0.00 H new ATOM 0 HE ARG B 193 8.836 -6.553 6.414 1.00 0.00 H new ATOM 0 HH11 ARG B 193 7.661 -7.384 3.190 1.00 0.00 H new ATOM 0 HH12 ARG B 193 9.248 -7.907 2.617 1.00 0.00 H new ATOM 0 HH21 ARG B 193 10.877 -7.223 5.669 1.00 0.00 H new ATOM 0 HH22 ARG B 193 11.062 -7.816 4.015 1.00 0.00 H new ATOM 1191 N PRO B 194 7.524 -5.134 10.079 1.00 0.00 N ATOM 1192 CA PRO B 194 7.649 -6.018 11.237 1.00 0.00 C ATOM 1193 C PRO B 194 7.224 -5.333 12.531 1.00 0.00 C ATOM 1194 O PRO B 194 6.595 -4.274 12.506 1.00 0.00 O ATOM 1195 CB PRO B 194 9.140 -6.334 11.264 1.00 0.00 C ATOM 1196 CG PRO B 194 9.791 -5.112 10.716 1.00 0.00 C ATOM 1197 CD PRO B 194 8.825 -4.527 9.715 1.00 0.00 C ATOM 0 HA PRO B 194 7.011 -6.898 11.160 1.00 0.00 H new ATOM 0 HB2 PRO B 194 9.482 -6.546 12.277 1.00 0.00 H new ATOM 0 HB3 PRO B 194 9.371 -7.211 10.660 1.00 0.00 H new ATOM 0 HG2 PRO B 194 10.007 -4.398 11.510 1.00 0.00 H new ATOM 0 HG3 PRO B 194 10.741 -5.358 10.241 1.00 0.00 H new ATOM 0 HD2 PRO B 194 8.791 -3.440 9.781 1.00 0.00 H new ATOM 0 HD3 PRO B 194 9.110 -4.775 8.693 1.00 0.00 H new ATOM 1205 N GLU B 195 7.569 -5.943 13.660 1.00 0.00 N ATOM 1206 CA GLU B 195 7.225 -5.390 14.965 1.00 0.00 C ATOM 1207 C GLU B 195 8.479 -4.971 15.727 1.00 0.00 C ATOM 1208 O GLU B 195 8.432 -4.728 16.933 1.00 0.00 O ATOM 1209 CB GLU B 195 6.435 -6.414 15.781 1.00 0.00 C ATOM 1210 CG GLU B 195 7.101 -7.777 15.856 1.00 0.00 C ATOM 1211 CD GLU B 195 6.307 -8.768 16.683 1.00 0.00 C ATOM 1212 OE1 GLU B 195 5.331 -9.339 16.151 1.00 0.00 O ATOM 1213 OE2 GLU B 195 6.663 -8.976 17.862 1.00 0.00 O ATOM 0 H GLU B 195 8.087 -6.821 13.698 1.00 0.00 H new ATOM 0 HA GLU B 195 6.607 -4.506 14.807 1.00 0.00 H new ATOM 0 HB2 GLU B 195 6.296 -6.031 16.792 1.00 0.00 H new ATOM 0 HB3 GLU B 195 5.443 -6.527 15.344 1.00 0.00 H new ATOM 0 HG2 GLU B 195 7.229 -8.171 14.848 1.00 0.00 H new ATOM 0 HG3 GLU B 195 8.097 -7.668 16.284 1.00 0.00 H new ATOM 1220 N HIS B 196 9.597 -4.885 15.015 1.00 0.00 N ATOM 1221 CA HIS B 196 10.862 -4.494 15.623 1.00 0.00 C ATOM 1222 C HIS B 196 11.481 -3.309 14.887 1.00 0.00 C ATOM 1223 O HIS B 196 11.598 -2.215 15.440 1.00 0.00 O ATOM 1224 CB HIS B 196 11.839 -5.671 15.625 1.00 0.00 C ATOM 1225 CG HIS B 196 11.342 -6.862 16.387 1.00 0.00 C ATOM 1226 ND1 HIS B 196 11.109 -8.088 15.800 1.00 0.00 N ATOM 1227 CD2 HIS B 196 11.038 -7.011 17.699 1.00 0.00 C ATOM 1228 CE1 HIS B 196 10.682 -8.939 16.717 1.00 0.00 C ATOM 1229 NE2 HIS B 196 10.632 -8.311 17.877 1.00 0.00 N ATOM 0 H HIS B 196 9.652 -5.081 14.016 1.00 0.00 H new ATOM 0 HA HIS B 196 10.660 -4.195 16.652 1.00 0.00 H new ATOM 0 HB2 HIS B 196 12.040 -5.967 14.595 1.00 0.00 H new ATOM 0 HB3 HIS B 196 12.787 -5.345 16.054 1.00 0.00 H new ATOM 0 HD2 HIS B 196 11.103 -6.250 18.462 1.00 0.00 H new ATOM 0 HE1 HIS B 196 10.419 -9.972 16.546 1.00 0.00 H new ATOM 0 HE2 HIS B 196 10.339 -8.724 18.762 1.00 0.00 H new ATOM 1238 N THR B 197 11.873 -3.534 13.636 1.00 0.00 N ATOM 1239 CA THR B 197 12.483 -2.485 12.826 1.00 0.00 C ATOM 1240 C THR B 197 11.504 -1.956 11.781 1.00 0.00 C ATOM 1241 O THR B 197 10.305 -2.223 11.847 1.00 0.00 O ATOM 1242 CB THR B 197 13.749 -2.994 12.113 1.00 0.00 C ATOM 1243 OG1 THR B 197 13.414 -4.064 11.220 1.00 0.00 O ATOM 1244 CG2 THR B 197 14.781 -3.475 13.122 1.00 0.00 C ATOM 0 H THR B 197 11.779 -4.432 13.162 1.00 0.00 H new ATOM 0 HA THR B 197 12.755 -1.678 13.506 1.00 0.00 H new ATOM 0 HB THR B 197 14.175 -2.167 11.545 1.00 0.00 H new ATOM 0 HG1 THR B 197 14.225 -4.380 10.770 1.00 0.00 H new ATOM 0 HG21 THR B 197 15.667 -3.830 12.595 1.00 0.00 H new ATOM 0 HG22 THR B 197 15.056 -2.652 13.781 1.00 0.00 H new ATOM 0 HG23 THR B 197 14.360 -4.288 13.713 1.00 0.00 H new ATOM 1252 N LYS B 198 12.027 -1.199 10.821 1.00 0.00 N ATOM 1253 CA LYS B 198 11.206 -0.631 9.759 1.00 0.00 C ATOM 1254 C LYS B 198 11.857 -0.854 8.397 1.00 0.00 C ATOM 1255 O LYS B 198 11.179 -0.868 7.369 1.00 0.00 O ATOM 1256 CB LYS B 198 10.989 0.866 10.000 1.00 0.00 C ATOM 1257 CG LYS B 198 10.151 1.543 8.926 1.00 0.00 C ATOM 1258 CD LYS B 198 9.911 3.011 9.243 1.00 0.00 C ATOM 1259 CE LYS B 198 9.007 3.185 10.454 1.00 0.00 C ATOM 1260 NZ LYS B 198 8.784 4.622 10.777 1.00 0.00 N ATOM 0 H LYS B 198 13.018 -0.965 10.758 1.00 0.00 H new ATOM 0 HA LYS B 198 10.239 -1.134 9.767 1.00 0.00 H new ATOM 0 HB2 LYS B 198 10.504 1.003 10.967 1.00 0.00 H new ATOM 0 HB3 LYS B 198 11.959 1.360 10.057 1.00 0.00 H new ATOM 0 HG2 LYS B 198 10.654 1.456 7.963 1.00 0.00 H new ATOM 0 HG3 LYS B 198 9.194 1.029 8.833 1.00 0.00 H new ATOM 0 HD2 LYS B 198 10.865 3.504 9.428 1.00 0.00 H new ATOM 0 HD3 LYS B 198 9.461 3.501 8.380 1.00 0.00 H new ATOM 0 HE2 LYS B 198 8.048 2.702 10.264 1.00 0.00 H new ATOM 0 HE3 LYS B 198 9.451 2.684 11.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 198 8.370 4.704 11.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 198 9.692 5.129 10.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 198 8.134 5.038 10.079 1.00 0.00 H new ATOM 1274 N SER B 199 13.178 -1.034 8.405 1.00 0.00 N ATOM 1275 CA SER B 199 13.941 -1.261 7.178 1.00 0.00 C ATOM 1276 C SER B 199 13.838 -0.069 6.232 1.00 0.00 C ATOM 1277 O SER B 199 12.772 0.217 5.685 1.00 0.00 O ATOM 1278 CB SER B 199 13.458 -2.530 6.474 1.00 0.00 C ATOM 1279 OG SER B 199 14.266 -2.829 5.349 1.00 0.00 O ATOM 0 H SER B 199 13.744 -1.027 9.253 1.00 0.00 H new ATOM 0 HA SER B 199 14.987 -1.385 7.457 1.00 0.00 H new ATOM 0 HB2 SER B 199 13.478 -3.367 7.172 1.00 0.00 H new ATOM 0 HB3 SER B 199 12.423 -2.403 6.158 1.00 0.00 H new ATOM 0 HG SER B 199 13.937 -3.645 4.918 1.00 0.00 H new ATOM 1285 N VAL B 200 14.958 0.620 6.039 1.00 0.00 N ATOM 1286 CA VAL B 200 15.001 1.783 5.160 1.00 0.00 C ATOM 1287 C VAL B 200 15.027 1.362 3.694 1.00 0.00 C ATOM 1288 O VAL B 200 14.916 2.196 2.795 1.00 0.00 O ATOM 1289 CB VAL B 200 16.227 2.667 5.459 1.00 0.00 C ATOM 1290 CG1 VAL B 200 16.111 3.288 6.842 1.00 0.00 C ATOM 1291 CG2 VAL B 200 17.511 1.859 5.339 1.00 0.00 C ATOM 0 H VAL B 200 15.849 0.393 6.480 1.00 0.00 H new ATOM 0 HA VAL B 200 14.096 2.360 5.350 1.00 0.00 H new ATOM 0 HB VAL B 200 16.260 3.471 4.724 1.00 0.00 H new ATOM 0 HG11 VAL B 200 16.985 3.909 7.036 1.00 0.00 H new ATOM 0 HG12 VAL B 200 15.212 3.902 6.891 1.00 0.00 H new ATOM 0 HG13 VAL B 200 16.053 2.499 7.592 1.00 0.00 H new ATOM 0 HG21 VAL B 200 18.366 2.500 5.554 1.00 0.00 H new ATOM 0 HG22 VAL B 200 17.489 1.033 6.050 1.00 0.00 H new ATOM 0 HG23 VAL B 200 17.599 1.464 4.327 1.00 0.00 H new ATOM 1301 N TYR B 201 15.177 0.062 3.462 1.00 0.00 N ATOM 1302 CA TYR B 201 15.213 -0.480 2.109 1.00 0.00 C ATOM 1303 C TYR B 201 14.555 -1.855 2.058 1.00 0.00 C ATOM 1304 O TYR B 201 15.109 -2.837 2.550 1.00 0.00 O ATOM 1305 CB TYR B 201 16.654 -0.577 1.602 1.00 0.00 C ATOM 1306 CG TYR B 201 17.250 0.751 1.188 1.00 0.00 C ATOM 1307 CD1 TYR B 201 16.710 1.480 0.135 1.00 0.00 C ATOM 1308 CD2 TYR B 201 18.355 1.274 1.848 1.00 0.00 C ATOM 1309 CE1 TYR B 201 17.253 2.692 -0.247 1.00 0.00 C ATOM 1310 CE2 TYR B 201 18.905 2.485 1.471 1.00 0.00 C ATOM 1311 CZ TYR B 201 18.350 3.190 0.423 1.00 0.00 C ATOM 1312 OH TYR B 201 18.895 4.396 0.045 1.00 0.00 O ATOM 0 H TYR B 201 15.276 -0.638 4.197 1.00 0.00 H new ATOM 0 HA TYR B 201 14.657 0.200 1.463 1.00 0.00 H new ATOM 0 HB2 TYR B 201 17.275 -1.015 2.384 1.00 0.00 H new ATOM 0 HB3 TYR B 201 16.684 -1.258 0.752 1.00 0.00 H new ATOM 0 HD1 TYR B 201 15.852 1.093 -0.394 1.00 0.00 H new ATOM 0 HD2 TYR B 201 18.792 0.725 2.669 1.00 0.00 H new ATOM 0 HE1 TYR B 201 16.820 3.246 -1.067 1.00 0.00 H new ATOM 0 HE2 TYR B 201 19.765 2.877 1.994 1.00 0.00 H new ATOM 0 HH TYR B 201 19.662 4.603 0.619 1.00 0.00 H new ATOM 1322 N THR B 202 13.369 -1.917 1.461 1.00 0.00 N ATOM 1323 CA THR B 202 12.639 -3.173 1.348 1.00 0.00 C ATOM 1324 C THR B 202 12.789 -3.771 -0.047 1.00 0.00 C ATOM 1325 O THR B 202 12.313 -3.205 -1.031 1.00 0.00 O ATOM 1326 CB THR B 202 11.141 -2.986 1.656 1.00 0.00 C ATOM 1327 OG1 THR B 202 10.554 -2.081 0.713 1.00 0.00 O ATOM 1328 CG2 THR B 202 10.943 -2.456 3.068 1.00 0.00 C ATOM 0 H THR B 202 12.894 -1.114 1.049 1.00 0.00 H new ATOM 0 HA THR B 202 13.069 -3.854 2.082 1.00 0.00 H new ATOM 0 HB THR B 202 10.652 -3.957 1.577 1.00 0.00 H new ATOM 0 HG1 THR B 202 10.982 -2.196 -0.161 1.00 0.00 H new ATOM 0 HG21 THR B 202 9.878 -2.332 3.264 1.00 0.00 H new ATOM 0 HG22 THR B 202 11.364 -3.162 3.784 1.00 0.00 H new ATOM 0 HG23 THR B 202 11.445 -1.494 3.169 1.00 0.00 H new ATOM 1336 N ARG B 203 13.457 -4.918 -0.122 1.00 0.00 N ATOM 1337 CA ARG B 203 13.667 -5.598 -1.395 1.00 0.00 C ATOM 1338 C ARG B 203 12.939 -6.938 -1.416 1.00 0.00 C ATOM 1339 O ARG B 203 12.868 -7.631 -0.400 1.00 0.00 O ATOM 1340 CB ARG B 203 15.161 -5.813 -1.644 1.00 0.00 C ATOM 1341 CG ARG B 203 15.948 -4.521 -1.790 1.00 0.00 C ATOM 1342 CD ARG B 203 17.425 -4.792 -2.025 1.00 0.00 C ATOM 1343 NE ARG B 203 17.649 -5.620 -3.208 1.00 0.00 N ATOM 1344 CZ ARG B 203 18.849 -6.041 -3.598 1.00 0.00 C ATOM 1345 NH1 ARG B 203 19.931 -5.706 -2.908 1.00 0.00 N ATOM 1346 NH2 ARG B 203 18.966 -6.798 -4.682 1.00 0.00 N ATOM 0 H ARG B 203 13.862 -5.396 0.683 1.00 0.00 H new ATOM 0 HA ARG B 203 13.263 -4.969 -2.188 1.00 0.00 H new ATOM 0 HB2 ARG B 203 15.578 -6.391 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG B 203 15.288 -6.409 -2.548 1.00 0.00 H new ATOM 0 HG2 ARG B 203 15.547 -3.941 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG B 203 15.826 -3.916 -0.891 1.00 0.00 H new ATOM 0 HD2 ARG B 203 17.953 -3.846 -2.140 1.00 0.00 H new ATOM 0 HD3 ARG B 203 17.846 -5.288 -1.150 1.00 0.00 H new ATOM 0 HE ARG B 203 16.839 -5.890 -3.766 1.00 0.00 H new ATOM 0 HH11 ARG B 203 19.845 -5.124 -2.075 1.00 0.00 H new ATOM 0 HH12 ARG B 203 20.849 -6.031 -3.210 1.00 0.00 H new ATOM 0 HH21 ARG B 203 18.136 -7.057 -5.215 1.00 0.00 H new ATOM 0 HH22 ARG B 203 19.886 -7.121 -4.982 1.00 0.00 H new ATOM 1360 N SER B 204 12.398 -7.294 -2.578 1.00 0.00 N ATOM 1361 CA SER B 204 11.671 -8.551 -2.737 1.00 0.00 C ATOM 1362 C SER B 204 10.511 -8.643 -1.749 1.00 0.00 C ATOM 1363 O SER B 204 9.417 -8.136 -2.077 1.00 0.00 O ATOM 1364 CB SER B 204 12.616 -9.741 -2.547 1.00 0.00 C ATOM 1365 OG SER B 204 13.665 -9.719 -3.499 1.00 0.00 O ATOM 1366 OXT SER B 204 10.705 -9.220 -0.659 1.00 0.00 O ATOM 0 H SER B 204 12.449 -6.729 -3.425 1.00 0.00 H new ATOM 0 HA SER B 204 11.264 -8.578 -3.748 1.00 0.00 H new ATOM 0 HB2 SER B 204 13.034 -9.720 -1.541 1.00 0.00 H new ATOM 0 HB3 SER B 204 12.056 -10.672 -2.640 1.00 0.00 H new ATOM 0 HG SER B 204 14.254 -10.488 -3.354 1.00 0.00 H new TER 1372 SER B 204