USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 547 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.26 (180deg=0.806) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0545 USER MOD Single : A 11 CYS SG : rot 176:sc= 1.73 USER MOD Single : A 14 CYS SG : rot 109:sc= 1.23 USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= -0.0163 (180deg=-0.156) USER MOD Single : A 21 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.1!) USER MOD Single : A 24 GLN : amide:sc= 0.609 K(o=0.61,f=0) USER MOD Single : A 29 CYS SG : rot -169:sc= 1.13 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 158:sc= -1.13 (180deg=-2.75!) USER MOD Single : A 52 SER OG : rot 170:sc= 0.622 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 68:sc= 1 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.018) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.167 -22.181 -13.949 1.00 0.00 N ATOM 2 CA MET A 1 -6.262 -20.725 -13.709 1.00 0.00 C ATOM 3 C MET A 1 -5.017 -20.008 -14.213 1.00 0.00 C ATOM 4 O MET A 1 -3.894 -20.334 -13.821 1.00 0.00 O ATOM 5 CB MET A 1 -6.466 -20.436 -12.216 1.00 0.00 C ATOM 6 CG MET A 1 -7.825 -20.864 -11.679 1.00 0.00 C ATOM 7 SD MET A 1 -8.065 -22.654 -11.689 1.00 0.00 S ATOM 8 CE MET A 1 -9.743 -22.775 -11.078 1.00 0.00 C ATOM 0 H1 MET A 1 -6.853 -22.678 -13.346 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.374 -22.382 -14.948 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.206 -22.508 -13.722 1.00 0.00 H new ATOM 0 HA MET A 1 -7.124 -20.351 -14.261 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.687 -20.945 -11.649 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.339 -19.367 -12.043 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.938 -20.495 -10.660 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.608 -20.396 -12.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.037 -23.823 -11.027 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.801 -22.333 -10.083 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.415 -22.242 -11.751 1.00 0.00 H new ATOM 20 N GLU A 2 -5.231 -19.048 -15.103 1.00 0.00 N ATOM 21 CA GLU A 2 -4.168 -18.193 -15.619 1.00 0.00 C ATOM 22 C GLU A 2 -4.691 -16.768 -15.751 1.00 0.00 C ATOM 23 O GLU A 2 -5.192 -16.369 -16.806 1.00 0.00 O ATOM 24 CB GLU A 2 -3.660 -18.682 -16.980 1.00 0.00 C ATOM 25 CG GLU A 2 -2.894 -19.993 -16.931 1.00 0.00 C ATOM 26 CD GLU A 2 -2.467 -20.462 -18.309 1.00 0.00 C ATOM 27 OE1 GLU A 2 -3.304 -21.055 -19.021 1.00 0.00 O ATOM 28 OE2 GLU A 2 -1.294 -20.253 -18.685 1.00 0.00 O ATOM 0 H GLU A 2 -6.151 -18.839 -15.490 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.333 -18.227 -14.919 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.511 -18.798 -17.651 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.016 -17.915 -17.411 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.013 -19.873 -16.301 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.516 -20.758 -16.466 1.00 0.00 H new ATOM 35 N SER A 3 -4.610 -16.013 -14.670 1.00 0.00 N ATOM 36 CA SER A 3 -5.147 -14.660 -14.640 1.00 0.00 C ATOM 37 C SER A 3 -4.359 -13.786 -13.670 1.00 0.00 C ATOM 38 O SER A 3 -4.219 -14.114 -12.492 1.00 0.00 O ATOM 39 CB SER A 3 -6.627 -14.690 -14.241 1.00 0.00 C ATOM 40 OG SER A 3 -7.377 -15.499 -15.134 1.00 0.00 O ATOM 0 H SER A 3 -4.176 -16.313 -13.797 1.00 0.00 H new ATOM 0 HA SER A 3 -5.056 -14.232 -15.638 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.726 -15.074 -13.226 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.028 -13.676 -14.239 1.00 0.00 H new ATOM 0 HG SER A 3 -8.318 -15.505 -14.859 1.00 0.00 H new ATOM 46 N ARG A 4 -3.844 -12.675 -14.172 1.00 0.00 N ATOM 47 CA ARG A 4 -3.101 -11.742 -13.342 1.00 0.00 C ATOM 48 C ARG A 4 -4.002 -10.575 -12.958 1.00 0.00 C ATOM 49 O ARG A 4 -4.090 -9.582 -13.679 1.00 0.00 O ATOM 50 CB ARG A 4 -1.857 -11.237 -14.072 1.00 0.00 C ATOM 51 CG ARG A 4 -0.885 -12.339 -14.457 1.00 0.00 C ATOM 52 CD ARG A 4 0.364 -11.774 -15.112 1.00 0.00 C ATOM 53 NE ARG A 4 0.058 -11.046 -16.343 1.00 0.00 N ATOM 54 CZ ARG A 4 0.629 -9.892 -16.681 1.00 0.00 C ATOM 55 NH1 ARG A 4 1.514 -9.320 -15.873 1.00 0.00 N ATOM 56 NH2 ARG A 4 0.309 -9.317 -17.832 1.00 0.00 N ATOM 0 H ARG A 4 -3.927 -12.398 -15.150 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.774 -12.257 -12.439 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.166 -10.706 -14.973 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.342 -10.516 -13.437 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.607 -12.907 -13.569 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.373 -13.034 -15.140 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.869 -11.107 -14.413 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.056 -12.587 -15.334 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.632 -11.445 -16.979 1.00 0.00 H new ATOM 0 HH11 ARG A 4 1.759 -9.765 -14.989 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.949 -8.436 -16.137 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.370 -9.759 -18.451 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.742 -8.433 -18.098 1.00 0.00 H new ATOM 70 N LEU A 5 -4.695 -10.714 -11.837 1.00 0.00 N ATOM 71 CA LEU A 5 -5.664 -9.714 -11.411 1.00 0.00 C ATOM 72 C LEU A 5 -5.011 -8.656 -10.525 1.00 0.00 C ATOM 73 O LEU A 5 -5.339 -8.521 -9.345 1.00 0.00 O ATOM 74 CB LEU A 5 -6.832 -10.384 -10.677 1.00 0.00 C ATOM 75 CG LEU A 5 -7.610 -11.413 -11.500 1.00 0.00 C ATOM 76 CD1 LEU A 5 -8.720 -12.035 -10.670 1.00 0.00 C ATOM 77 CD2 LEU A 5 -8.180 -10.775 -12.757 1.00 0.00 C ATOM 0 H LEU A 5 -4.604 -11.510 -11.206 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.049 -9.214 -12.300 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.446 -10.873 -9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.523 -9.610 -10.344 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.920 -12.202 -11.798 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.261 -12.764 -11.274 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.289 -12.532 -9.801 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.407 -11.256 -10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.729 -11.524 -13.328 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.853 -9.964 -12.480 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.367 -10.380 -13.365 1.00 0.00 H new ATOM 89 N LEU A 6 -4.067 -7.928 -11.100 1.00 0.00 N ATOM 90 CA LEU A 6 -3.402 -6.839 -10.402 1.00 0.00 C ATOM 91 C LEU A 6 -3.699 -5.525 -11.105 1.00 0.00 C ATOM 92 O LEU A 6 -4.436 -5.500 -12.091 1.00 0.00 O ATOM 93 CB LEU A 6 -1.883 -7.064 -10.331 1.00 0.00 C ATOM 94 CG LEU A 6 -1.413 -8.215 -9.431 1.00 0.00 C ATOM 95 CD1 LEU A 6 -1.626 -9.568 -10.096 1.00 0.00 C ATOM 96 CD2 LEU A 6 0.049 -8.030 -9.059 1.00 0.00 C ATOM 0 H LEU A 6 -3.742 -8.073 -12.056 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.784 -6.804 -9.382 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.515 -7.246 -11.341 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.416 -6.143 -9.983 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.015 -8.195 -8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.282 -10.359 -9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.686 -9.707 -10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.063 -9.608 -11.028 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.369 -8.853 -8.421 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.656 -8.016 -9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.172 -7.088 -8.525 1.00 0.00 H new ATOM 108 N ASP A 7 -3.130 -4.438 -10.583 1.00 0.00 N ATOM 109 CA ASP A 7 -3.310 -3.097 -11.150 1.00 0.00 C ATOM 110 C ASP A 7 -4.774 -2.668 -11.068 1.00 0.00 C ATOM 111 O ASP A 7 -5.224 -1.790 -11.806 1.00 0.00 O ATOM 112 CB ASP A 7 -2.823 -3.041 -12.605 1.00 0.00 C ATOM 113 CG ASP A 7 -1.361 -3.414 -12.753 1.00 0.00 C ATOM 114 OD1 ASP A 7 -0.487 -2.561 -12.482 1.00 0.00 O ATOM 115 OD2 ASP A 7 -1.075 -4.567 -13.141 1.00 0.00 O ATOM 0 H ASP A 7 -2.532 -4.460 -9.757 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.709 -2.404 -10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.428 -3.715 -13.211 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.977 -2.035 -12.996 1.00 0.00 H new ATOM 120 N ILE A 8 -5.503 -3.272 -10.139 1.00 0.00 N ATOM 121 CA ILE A 8 -6.923 -2.989 -9.965 1.00 0.00 C ATOM 122 C ILE A 8 -7.136 -1.976 -8.849 1.00 0.00 C ATOM 123 O ILE A 8 -8.198 -1.362 -8.746 1.00 0.00 O ATOM 124 CB ILE A 8 -7.725 -4.270 -9.646 1.00 0.00 C ATOM 125 CG1 ILE A 8 -7.173 -4.951 -8.390 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.695 -5.222 -10.834 1.00 0.00 C ATOM 127 CD1 ILE A 8 -7.964 -6.165 -7.956 1.00 0.00 C ATOM 0 H ILE A 8 -5.132 -3.966 -9.490 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.284 -2.578 -10.908 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.762 -3.993 -9.454 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.140 -5.248 -8.573 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.157 -4.229 -7.574 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.264 -6.120 -10.595 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.136 -4.734 -11.703 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.663 -5.495 -11.056 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.512 -6.593 -7.061 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.991 -5.872 -7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.959 -6.907 -8.754 1.00 0.00 H new ATOM 139 N LEU A 9 -6.120 -1.809 -8.014 1.00 0.00 N ATOM 140 CA LEU A 9 -6.184 -0.880 -6.897 1.00 0.00 C ATOM 141 C LEU A 9 -5.553 0.454 -7.278 1.00 0.00 C ATOM 142 O LEU A 9 -4.329 0.568 -7.387 1.00 0.00 O ATOM 143 CB LEU A 9 -5.470 -1.475 -5.682 1.00 0.00 C ATOM 144 CG LEU A 9 -6.054 -2.792 -5.170 1.00 0.00 C ATOM 145 CD1 LEU A 9 -5.150 -3.399 -4.109 1.00 0.00 C ATOM 146 CD2 LEU A 9 -7.452 -2.573 -4.616 1.00 0.00 C ATOM 0 H LEU A 9 -5.235 -2.310 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.230 -0.707 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.422 -1.634 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.493 -0.746 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.119 -3.489 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.581 -4.336 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.166 -3.591 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.054 -2.706 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.853 -3.520 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.409 -1.860 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.098 -2.181 -5.402 1.00 0.00 H new ATOM 158 N VAL A 10 -6.395 1.450 -7.507 1.00 0.00 N ATOM 159 CA VAL A 10 -5.933 2.774 -7.888 1.00 0.00 C ATOM 160 C VAL A 10 -6.686 3.854 -7.122 1.00 0.00 C ATOM 161 O VAL A 10 -7.776 3.615 -6.604 1.00 0.00 O ATOM 162 CB VAL A 10 -6.105 3.031 -9.405 1.00 0.00 C ATOM 163 CG1 VAL A 10 -5.207 2.116 -10.218 1.00 0.00 C ATOM 164 CG2 VAL A 10 -7.561 2.851 -9.824 1.00 0.00 C ATOM 0 H VAL A 10 -7.409 1.364 -7.435 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.872 2.815 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.812 4.062 -9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.348 2.318 -11.280 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.166 2.296 -9.950 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.462 1.077 -10.009 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.657 3.037 -10.894 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.880 1.833 -9.602 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.187 3.555 -9.276 1.00 0.00 H new ATOM 174 N CYS A 11 -6.088 5.034 -7.048 1.00 0.00 N ATOM 175 CA CYS A 11 -6.732 6.192 -6.445 1.00 0.00 C ATOM 176 C CYS A 11 -7.866 6.686 -7.342 1.00 0.00 C ATOM 177 O CYS A 11 -7.695 6.809 -8.552 1.00 0.00 O ATOM 178 CB CYS A 11 -5.700 7.303 -6.232 1.00 0.00 C ATOM 179 SG CYS A 11 -6.383 8.855 -5.601 1.00 0.00 S ATOM 0 H CYS A 11 -5.149 5.215 -7.402 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.151 5.908 -5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.940 6.946 -5.537 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.198 7.501 -7.179 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.416 9.692 -5.368 1.00 0.00 H new ATOM 185 N PRO A 12 -9.042 6.971 -6.767 1.00 0.00 N ATOM 186 CA PRO A 12 -10.192 7.464 -7.530 1.00 0.00 C ATOM 187 C PRO A 12 -9.951 8.859 -8.099 1.00 0.00 C ATOM 188 O PRO A 12 -10.534 9.236 -9.113 1.00 0.00 O ATOM 189 CB PRO A 12 -11.333 7.498 -6.503 1.00 0.00 C ATOM 190 CG PRO A 12 -10.850 6.687 -5.349 1.00 0.00 C ATOM 191 CD PRO A 12 -9.355 6.824 -5.341 1.00 0.00 C ATOM 0 HA PRO A 12 -10.403 6.831 -8.392 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.557 8.520 -6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.250 7.081 -6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.279 7.046 -4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.145 5.643 -5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.030 7.689 -4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.870 5.950 -4.907 1.00 0.00 H new ATOM 199 N VAL A 13 -9.073 9.610 -7.450 1.00 0.00 N ATOM 200 CA VAL A 13 -8.813 10.990 -7.838 1.00 0.00 C ATOM 201 C VAL A 13 -7.802 11.062 -8.978 1.00 0.00 C ATOM 202 O VAL A 13 -8.148 11.412 -10.108 1.00 0.00 O ATOM 203 CB VAL A 13 -8.300 11.824 -6.643 1.00 0.00 C ATOM 204 CG1 VAL A 13 -8.152 13.290 -7.021 1.00 0.00 C ATOM 205 CG2 VAL A 13 -9.232 11.680 -5.452 1.00 0.00 C ATOM 0 H VAL A 13 -8.528 9.287 -6.651 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.761 11.408 -8.178 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.317 11.443 -6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.789 13.853 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.441 13.384 -7.842 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.119 13.685 -7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.854 12.275 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.228 12.029 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.284 10.632 -5.155 1.00 0.00 H new ATOM 215 N CYS A 14 -6.558 10.715 -8.683 1.00 0.00 N ATOM 216 CA CYS A 14 -5.477 10.846 -9.655 1.00 0.00 C ATOM 217 C CYS A 14 -5.271 9.561 -10.452 1.00 0.00 C ATOM 218 O CYS A 14 -4.387 9.497 -11.308 1.00 0.00 O ATOM 219 CB CYS A 14 -4.177 11.228 -8.943 1.00 0.00 C ATOM 220 SG CYS A 14 -4.281 12.767 -8.000 1.00 0.00 S ATOM 0 H CYS A 14 -6.270 10.340 -7.779 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.758 11.632 -10.356 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.892 10.420 -8.270 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.383 11.320 -9.684 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.269 12.498 -6.728 1.00 0.00 H new ATOM 226 N LYS A 15 -6.093 8.546 -10.176 1.00 0.00 N ATOM 227 CA LYS A 15 -5.973 7.236 -10.821 1.00 0.00 C ATOM 228 C LYS A 15 -4.563 6.666 -10.685 1.00 0.00 C ATOM 229 O LYS A 15 -4.112 5.874 -11.516 1.00 0.00 O ATOM 230 CB LYS A 15 -6.389 7.326 -12.290 1.00 0.00 C ATOM 231 CG LYS A 15 -7.873 7.594 -12.467 1.00 0.00 C ATOM 232 CD LYS A 15 -8.716 6.467 -11.889 1.00 0.00 C ATOM 233 CE LYS A 15 -10.205 6.734 -12.047 1.00 0.00 C ATOM 234 NZ LYS A 15 -10.609 6.819 -13.477 1.00 0.00 N ATOM 0 H LYS A 15 -6.857 8.608 -9.503 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.648 6.549 -10.310 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.821 8.119 -12.776 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.130 6.395 -12.794 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.135 8.533 -11.979 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.099 7.712 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.460 5.531 -12.386 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.480 6.342 -10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.769 5.940 -11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.462 7.665 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.647 6.815 -13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.238 7.698 -13.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.225 6.004 -13.995 1.00 0.00 H new ATOM 248 N GLY A 16 -3.891 7.055 -9.611 1.00 0.00 N ATOM 249 CA GLY A 16 -2.567 6.549 -9.336 1.00 0.00 C ATOM 250 C GLY A 16 -2.613 5.144 -8.776 1.00 0.00 C ATOM 251 O GLY A 16 -3.420 4.850 -7.895 1.00 0.00 O ATOM 0 H GLY A 16 -4.245 7.718 -8.921 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.976 6.557 -10.252 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.065 7.208 -8.627 1.00 0.00 H new ATOM 255 N ARG A 17 -1.768 4.277 -9.308 1.00 0.00 N ATOM 256 CA ARG A 17 -1.708 2.888 -8.869 1.00 0.00 C ATOM 257 C ARG A 17 -1.237 2.805 -7.425 1.00 0.00 C ATOM 258 O ARG A 17 -0.306 3.509 -7.026 1.00 0.00 O ATOM 259 CB ARG A 17 -0.772 2.093 -9.780 1.00 0.00 C ATOM 260 CG ARG A 17 -1.245 2.022 -11.225 1.00 0.00 C ATOM 261 CD ARG A 17 -0.141 1.529 -12.150 1.00 0.00 C ATOM 262 NE ARG A 17 -0.580 1.435 -13.548 1.00 0.00 N ATOM 263 CZ ARG A 17 -0.782 2.487 -14.348 1.00 0.00 C ATOM 264 NH1 ARG A 17 -0.593 3.724 -13.897 1.00 0.00 N ATOM 265 NH2 ARG A 17 -1.170 2.304 -15.604 1.00 0.00 N ATOM 0 H ARG A 17 -1.108 4.511 -10.050 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.708 2.458 -8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.219 2.545 -9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.671 1.081 -9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.105 1.355 -11.295 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.579 3.008 -11.548 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.712 2.205 -12.085 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.201 0.550 -11.813 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.742 0.505 -13.935 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.292 3.875 -12.934 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.749 4.521 -14.514 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.315 1.359 -15.961 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.324 3.108 -16.213 1.00 0.00 H new ATOM 279 N LEU A 18 -1.896 1.963 -6.643 1.00 0.00 N ATOM 280 CA LEU A 18 -1.527 1.771 -5.252 1.00 0.00 C ATOM 281 C LEU A 18 -0.416 0.732 -5.143 1.00 0.00 C ATOM 282 O LEU A 18 -0.334 -0.191 -5.959 1.00 0.00 O ATOM 283 CB LEU A 18 -2.742 1.329 -4.427 1.00 0.00 C ATOM 284 CG LEU A 18 -3.944 2.279 -4.463 1.00 0.00 C ATOM 285 CD1 LEU A 18 -5.073 1.743 -3.597 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.543 3.670 -4.003 1.00 0.00 C ATOM 0 H LEU A 18 -2.690 1.402 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.166 2.721 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.064 0.350 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.430 1.205 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.295 2.344 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.918 2.430 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.383 0.766 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.728 1.648 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.411 4.329 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.164 3.620 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.766 4.061 -4.660 1.00 0.00 H new ATOM 298 N GLU A 19 0.432 0.886 -4.140 1.00 0.00 N ATOM 299 CA GLU A 19 1.542 -0.030 -3.925 1.00 0.00 C ATOM 300 C GLU A 19 1.462 -0.623 -2.527 1.00 0.00 C ATOM 301 O GLU A 19 1.253 0.096 -1.552 1.00 0.00 O ATOM 302 CB GLU A 19 2.884 0.680 -4.133 1.00 0.00 C ATOM 303 CG GLU A 19 3.212 0.946 -5.593 1.00 0.00 C ATOM 304 CD GLU A 19 4.693 0.799 -5.888 1.00 0.00 C ATOM 305 OE1 GLU A 19 5.489 1.630 -5.409 1.00 0.00 O ATOM 306 OE2 GLU A 19 5.069 -0.164 -6.591 1.00 0.00 O ATOM 0 H GLU A 19 0.373 1.641 -3.457 1.00 0.00 H new ATOM 0 HA GLU A 19 1.473 -0.837 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.872 1.627 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.678 0.074 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.649 0.256 -6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.890 1.953 -5.858 1.00 0.00 H new ATOM 313 N PHE A 20 1.625 -1.935 -2.435 1.00 0.00 N ATOM 314 CA PHE A 20 1.435 -2.637 -1.177 1.00 0.00 C ATOM 315 C PHE A 20 2.721 -2.681 -0.361 1.00 0.00 C ATOM 316 O PHE A 20 3.720 -3.270 -0.776 1.00 0.00 O ATOM 317 CB PHE A 20 0.926 -4.058 -1.437 1.00 0.00 C ATOM 318 CG PHE A 20 0.589 -4.819 -0.185 1.00 0.00 C ATOM 319 CD1 PHE A 20 -0.602 -4.584 0.485 1.00 0.00 C ATOM 320 CD2 PHE A 20 1.461 -5.769 0.321 1.00 0.00 C ATOM 321 CE1 PHE A 20 -0.918 -5.282 1.632 1.00 0.00 C ATOM 322 CE2 PHE A 20 1.150 -6.470 1.472 1.00 0.00 C ATOM 323 CZ PHE A 20 -0.041 -6.225 2.128 1.00 0.00 C ATOM 0 H PHE A 20 1.888 -2.534 -3.218 1.00 0.00 H new ATOM 0 HA PHE A 20 0.691 -2.089 -0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.040 -4.007 -2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.684 -4.609 -1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.291 -3.845 0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.393 -5.964 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.851 -5.091 2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.838 -7.208 1.858 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.285 -6.771 3.027 1.00 0.00 H new ATOM 333 N GLN A 21 2.688 -2.042 0.793 1.00 0.00 N ATOM 334 CA GLN A 21 3.790 -2.093 1.733 1.00 0.00 C ATOM 335 C GLN A 21 3.670 -3.334 2.606 1.00 0.00 C ATOM 336 O GLN A 21 2.766 -3.430 3.443 1.00 0.00 O ATOM 337 CB GLN A 21 3.801 -0.843 2.619 1.00 0.00 C ATOM 338 CG GLN A 21 4.063 0.455 1.872 1.00 0.00 C ATOM 339 CD GLN A 21 5.470 0.554 1.313 1.00 0.00 C ATOM 340 OE1 GLN A 21 6.089 -0.444 0.942 1.00 0.00 O ATOM 341 NE2 GLN A 21 5.997 1.766 1.266 1.00 0.00 N ATOM 0 H GLN A 21 1.899 -1.475 1.104 1.00 0.00 H new ATOM 0 HA GLN A 21 4.722 -2.133 1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.841 -0.766 3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.563 -0.965 3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.348 0.546 1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.887 1.295 2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.455 2.570 1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.945 1.896 0.914 1.00 0.00 H new ATOM 350 N ARG A 22 4.565 -4.288 2.393 1.00 0.00 N ATOM 351 CA ARG A 22 4.591 -5.503 3.197 1.00 0.00 C ATOM 352 C ARG A 22 5.147 -5.213 4.583 1.00 0.00 C ATOM 353 O ARG A 22 6.342 -5.360 4.833 1.00 0.00 O ATOM 354 CB ARG A 22 5.409 -6.600 2.512 1.00 0.00 C ATOM 355 CG ARG A 22 4.712 -7.201 1.305 1.00 0.00 C ATOM 356 CD ARG A 22 5.571 -8.248 0.616 1.00 0.00 C ATOM 357 NE ARG A 22 4.835 -8.929 -0.443 1.00 0.00 N ATOM 358 CZ ARG A 22 5.211 -8.969 -1.721 1.00 0.00 C ATOM 359 NH1 ARG A 22 6.347 -8.400 -2.108 1.00 0.00 N ATOM 360 NH2 ARG A 22 4.443 -9.581 -2.611 1.00 0.00 N ATOM 0 H ARG A 22 5.283 -4.245 1.670 1.00 0.00 H new ATOM 0 HA ARG A 22 3.566 -5.860 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.369 -6.188 2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.620 -7.390 3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.770 -7.653 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.466 -6.410 0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.459 -7.774 0.197 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.915 -8.978 1.349 1.00 0.00 H new ATOM 0 HE ARG A 22 3.972 -9.408 -0.188 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.939 -7.928 -1.425 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.627 -8.435 -3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.570 -10.018 -2.316 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.725 -9.615 -3.591 1.00 0.00 H new ATOM 374 N ALA A 23 4.266 -4.781 5.468 1.00 0.00 N ATOM 375 CA ALA A 23 4.632 -4.426 6.828 1.00 0.00 C ATOM 376 C ALA A 23 3.378 -4.229 7.667 1.00 0.00 C ATOM 377 O ALA A 23 3.147 -4.940 8.639 1.00 0.00 O ATOM 378 CB ALA A 23 5.479 -3.159 6.846 1.00 0.00 C ATOM 0 H ALA A 23 3.273 -4.666 5.263 1.00 0.00 H new ATOM 0 HA ALA A 23 5.222 -5.239 7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.742 -2.912 7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.389 -3.321 6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.913 -2.337 6.408 1.00 0.00 H new ATOM 384 N GLN A 24 2.563 -3.260 7.274 1.00 0.00 N ATOM 385 CA GLN A 24 1.339 -2.955 8.006 1.00 0.00 C ATOM 386 C GLN A 24 0.128 -3.059 7.090 1.00 0.00 C ATOM 387 O GLN A 24 -0.953 -2.568 7.421 1.00 0.00 O ATOM 388 CB GLN A 24 1.412 -1.547 8.599 1.00 0.00 C ATOM 389 CG GLN A 24 2.732 -1.235 9.287 1.00 0.00 C ATOM 390 CD GLN A 24 2.735 0.126 9.952 1.00 0.00 C ATOM 391 OE1 GLN A 24 2.424 0.251 11.136 1.00 0.00 O ATOM 392 NE2 GLN A 24 3.051 1.161 9.186 1.00 0.00 N ATOM 0 H GLN A 24 2.725 -2.673 6.456 1.00 0.00 H new ATOM 0 HA GLN A 24 1.236 -3.680 8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.247 -0.820 7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.601 -1.423 9.317 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.938 -2.001 10.035 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.538 -1.279 8.555 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.303 1.014 8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.042 2.104 9.574 1.00 0.00 H new ATOM 401 N ALA A 25 0.319 -3.731 5.957 1.00 0.00 N ATOM 402 CA ALA A 25 -0.708 -3.840 4.926 1.00 0.00 C ATOM 403 C ALA A 25 -1.191 -2.460 4.489 1.00 0.00 C ATOM 404 O ALA A 25 -2.346 -2.090 4.707 1.00 0.00 O ATOM 405 CB ALA A 25 -1.870 -4.703 5.398 1.00 0.00 C ATOM 0 H ALA A 25 1.188 -4.214 5.729 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.262 -4.329 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.620 -4.766 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.507 -5.703 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.316 -4.258 6.288 1.00 0.00 H new ATOM 411 N GLU A 26 -0.290 -1.696 3.885 1.00 0.00 N ATOM 412 CA GLU A 26 -0.595 -0.332 3.474 1.00 0.00 C ATOM 413 C GLU A 26 -0.491 -0.189 1.962 1.00 0.00 C ATOM 414 O GLU A 26 0.514 -0.574 1.370 1.00 0.00 O ATOM 415 CB GLU A 26 0.370 0.651 4.143 1.00 0.00 C ATOM 416 CG GLU A 26 0.397 0.548 5.657 1.00 0.00 C ATOM 417 CD GLU A 26 1.420 1.475 6.284 1.00 0.00 C ATOM 418 OE1 GLU A 26 2.607 1.092 6.368 1.00 0.00 O ATOM 419 OE2 GLU A 26 1.038 2.590 6.704 1.00 0.00 O ATOM 0 H GLU A 26 0.660 -1.999 3.669 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.616 -0.107 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.375 0.478 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.092 1.667 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.592 0.783 6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.619 -0.480 5.944 1.00 0.00 H new ATOM 426 N LEU A 27 -1.532 0.345 1.341 1.00 0.00 N ATOM 427 CA LEU A 27 -1.497 0.647 -0.083 1.00 0.00 C ATOM 428 C LEU A 27 -1.180 2.117 -0.288 1.00 0.00 C ATOM 429 O LEU A 27 -2.024 2.984 -0.061 1.00 0.00 O ATOM 430 CB LEU A 27 -2.832 0.323 -0.751 1.00 0.00 C ATOM 431 CG LEU A 27 -3.291 -1.129 -0.628 1.00 0.00 C ATOM 432 CD1 LEU A 27 -4.687 -1.288 -1.207 1.00 0.00 C ATOM 433 CD2 LEU A 27 -2.317 -2.053 -1.338 1.00 0.00 C ATOM 0 H LEU A 27 -2.412 0.578 1.801 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.723 0.030 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.600 0.967 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.760 0.575 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.317 -1.399 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.003 -2.327 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.381 -0.647 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.679 -1.004 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.657 -3.084 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.265 -1.785 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.329 -1.954 -0.889 1.00 0.00 H new ATOM 445 N VAL A 28 0.040 2.398 -0.696 1.00 0.00 N ATOM 446 CA VAL A 28 0.464 3.768 -0.905 1.00 0.00 C ATOM 447 C VAL A 28 0.116 4.231 -2.312 1.00 0.00 C ATOM 448 O VAL A 28 0.538 3.625 -3.296 1.00 0.00 O ATOM 449 CB VAL A 28 1.983 3.939 -0.676 1.00 0.00 C ATOM 450 CG1 VAL A 28 2.392 5.393 -0.845 1.00 0.00 C ATOM 451 CG2 VAL A 28 2.377 3.421 0.697 1.00 0.00 C ATOM 0 H VAL A 28 0.755 1.697 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.068 4.379 -0.176 1.00 0.00 H new ATOM 0 HB VAL A 28 2.512 3.351 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.465 5.491 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.149 5.724 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.856 6.008 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.450 3.550 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.839 3.978 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.125 2.363 0.773 1.00 0.00 H new ATOM 461 N CYS A 29 -0.685 5.282 -2.400 1.00 0.00 N ATOM 462 CA CYS A 29 -0.958 5.919 -3.673 1.00 0.00 C ATOM 463 C CYS A 29 0.300 6.606 -4.158 1.00 0.00 C ATOM 464 O CYS A 29 0.753 7.587 -3.563 1.00 0.00 O ATOM 465 CB CYS A 29 -2.096 6.936 -3.559 1.00 0.00 C ATOM 466 SG CYS A 29 -2.446 7.803 -5.108 1.00 0.00 S ATOM 0 H CYS A 29 -1.156 5.710 -1.603 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.269 5.154 -4.385 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.999 6.424 -3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.844 7.667 -2.791 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.246 8.801 -4.875 1.00 0.00 H new ATOM 472 N ASN A 30 0.861 6.093 -5.240 1.00 0.00 N ATOM 473 CA ASN A 30 2.139 6.578 -5.738 1.00 0.00 C ATOM 474 C ASN A 30 1.968 7.895 -6.493 1.00 0.00 C ATOM 475 O ASN A 30 2.870 8.352 -7.192 1.00 0.00 O ATOM 476 CB ASN A 30 2.771 5.518 -6.646 1.00 0.00 C ATOM 477 CG ASN A 30 4.263 5.356 -6.421 1.00 0.00 C ATOM 478 OD1 ASN A 30 5.080 6.021 -7.061 1.00 0.00 O ATOM 479 ND2 ASN A 30 4.625 4.459 -5.515 1.00 0.00 N ATOM 0 H ASN A 30 0.451 5.339 -5.792 1.00 0.00 H new ATOM 0 HA ASN A 30 2.798 6.764 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.278 4.561 -6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.594 5.787 -7.687 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.614 4.297 -5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.915 3.931 -5.008 1.00 0.00 H new ATOM 486 N ALA A 31 0.802 8.498 -6.341 1.00 0.00 N ATOM 487 CA ALA A 31 0.528 9.796 -6.923 1.00 0.00 C ATOM 488 C ALA A 31 0.302 10.824 -5.821 1.00 0.00 C ATOM 489 O ALA A 31 0.946 11.873 -5.793 1.00 0.00 O ATOM 490 CB ALA A 31 -0.681 9.711 -7.840 1.00 0.00 C ATOM 0 H ALA A 31 0.024 8.103 -5.813 1.00 0.00 H new ATOM 0 HA ALA A 31 1.386 10.111 -7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.879 10.692 -8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.483 8.996 -8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.549 9.385 -7.268 1.00 0.00 H new ATOM 496 N ASP A 32 -0.575 10.487 -4.883 1.00 0.00 N ATOM 497 CA ASP A 32 -1.009 11.433 -3.856 1.00 0.00 C ATOM 498 C ASP A 32 -0.188 11.319 -2.576 1.00 0.00 C ATOM 499 O ASP A 32 -0.448 12.040 -1.613 1.00 0.00 O ATOM 500 CB ASP A 32 -2.483 11.211 -3.513 1.00 0.00 C ATOM 501 CG ASP A 32 -3.398 11.362 -4.709 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.625 12.506 -5.153 1.00 0.00 O ATOM 503 OD2 ASP A 32 -3.898 10.330 -5.206 1.00 0.00 O ATOM 0 H ASP A 32 -1.002 9.564 -4.810 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.861 12.430 -4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.606 10.213 -3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.782 11.921 -2.742 1.00 0.00 H new ATOM 508 N ARG A 33 0.802 10.424 -2.566 1.00 0.00 N ATOM 509 CA ARG A 33 1.605 10.174 -1.375 1.00 0.00 C ATOM 510 C ARG A 33 0.738 9.830 -0.168 1.00 0.00 C ATOM 511 O ARG A 33 0.971 10.320 0.936 1.00 0.00 O ATOM 512 CB ARG A 33 2.485 11.386 -1.075 1.00 0.00 C ATOM 513 CG ARG A 33 3.770 11.423 -1.883 1.00 0.00 C ATOM 514 CD ARG A 33 3.539 11.512 -3.381 1.00 0.00 C ATOM 515 NE ARG A 33 4.794 11.356 -4.115 1.00 0.00 N ATOM 516 CZ ARG A 33 4.882 10.941 -5.374 1.00 0.00 C ATOM 517 NH1 ARG A 33 3.788 10.785 -6.106 1.00 0.00 N ATOM 518 NH2 ARG A 33 6.074 10.727 -5.910 1.00 0.00 N ATOM 0 H ARG A 33 1.065 9.860 -3.374 1.00 0.00 H new ATOM 0 HA ARG A 33 2.239 9.310 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.916 12.295 -1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.733 11.390 -0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.367 12.278 -1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.353 10.528 -1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.834 10.740 -3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.087 12.473 -3.626 1.00 0.00 H new ATOM 0 HE ARG A 33 5.661 11.581 -3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.872 10.984 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.862 10.466 -7.072 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.917 10.881 -5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.149 10.408 -6.876 1.00 0.00 H new ATOM 532 N LEU A 34 -0.233 8.953 -0.376 1.00 0.00 N ATOM 533 CA LEU A 34 -1.155 8.581 0.690 1.00 0.00 C ATOM 534 C LEU A 34 -1.202 7.077 0.877 1.00 0.00 C ATOM 535 O LEU A 34 -1.335 6.329 -0.088 1.00 0.00 O ATOM 536 CB LEU A 34 -2.560 9.104 0.403 1.00 0.00 C ATOM 537 CG LEU A 34 -2.729 10.613 0.557 1.00 0.00 C ATOM 538 CD1 LEU A 34 -4.074 11.060 0.002 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.601 11.013 2.018 1.00 0.00 C ATOM 0 H LEU A 34 -0.403 8.487 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.787 9.036 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.835 8.824 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.261 8.605 1.072 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.941 11.107 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.176 12.139 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.134 10.804 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.876 10.558 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.724 12.092 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.370 10.508 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.617 10.726 2.389 1.00 0.00 H new ATOM 551 N ALA A 35 -1.103 6.648 2.122 1.00 0.00 N ATOM 552 CA ALA A 35 -1.120 5.232 2.461 1.00 0.00 C ATOM 553 C ALA A 35 -2.491 4.813 2.971 1.00 0.00 C ATOM 554 O ALA A 35 -2.992 5.349 3.964 1.00 0.00 O ATOM 555 CB ALA A 35 -0.047 4.922 3.494 1.00 0.00 C ATOM 0 H ALA A 35 -1.009 7.268 2.927 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.907 4.661 1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.072 3.860 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.932 5.179 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.231 5.505 4.396 1.00 0.00 H new ATOM 561 N PHE A 36 -3.096 3.874 2.264 1.00 0.00 N ATOM 562 CA PHE A 36 -4.408 3.364 2.617 1.00 0.00 C ATOM 563 C PHE A 36 -4.294 1.944 3.169 1.00 0.00 C ATOM 564 O PHE A 36 -3.942 1.013 2.442 1.00 0.00 O ATOM 565 CB PHE A 36 -5.323 3.387 1.389 1.00 0.00 C ATOM 566 CG PHE A 36 -5.471 4.749 0.772 1.00 0.00 C ATOM 567 CD1 PHE A 36 -6.108 5.774 1.454 1.00 0.00 C ATOM 568 CD2 PHE A 36 -4.961 5.008 -0.487 1.00 0.00 C ATOM 569 CE1 PHE A 36 -6.233 7.031 0.890 1.00 0.00 C ATOM 570 CE2 PHE A 36 -5.079 6.262 -1.056 1.00 0.00 C ATOM 571 CZ PHE A 36 -5.715 7.274 -0.367 1.00 0.00 C ATOM 0 H PHE A 36 -2.692 3.445 1.431 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.839 4.000 3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.929 2.700 0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.308 3.018 1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.512 5.589 2.438 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.464 4.220 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.734 7.820 1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.674 6.450 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.808 8.255 -0.810 1.00 0.00 H new ATOM 581 N PRO A 37 -4.577 1.761 4.465 1.00 0.00 N ATOM 582 CA PRO A 37 -4.445 0.465 5.134 1.00 0.00 C ATOM 583 C PRO A 37 -5.496 -0.544 4.674 1.00 0.00 C ATOM 584 O PRO A 37 -6.679 -0.216 4.543 1.00 0.00 O ATOM 585 CB PRO A 37 -4.644 0.790 6.620 1.00 0.00 C ATOM 586 CG PRO A 37 -4.590 2.280 6.717 1.00 0.00 C ATOM 587 CD PRO A 37 -5.053 2.797 5.388 1.00 0.00 C ATOM 0 HA PRO A 37 -3.483 0.003 4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.599 0.408 6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.867 0.329 7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.230 2.642 7.521 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.578 2.620 6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.137 2.908 5.350 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.624 3.773 5.160 1.00 0.00 H new ATOM 595 N VAL A 38 -5.056 -1.770 4.427 1.00 0.00 N ATOM 596 CA VAL A 38 -5.959 -2.844 4.040 1.00 0.00 C ATOM 597 C VAL A 38 -6.560 -3.489 5.286 1.00 0.00 C ATOM 598 O VAL A 38 -5.874 -4.197 6.022 1.00 0.00 O ATOM 599 CB VAL A 38 -5.240 -3.923 3.197 1.00 0.00 C ATOM 600 CG1 VAL A 38 -6.228 -4.984 2.724 1.00 0.00 C ATOM 601 CG2 VAL A 38 -4.531 -3.294 2.005 1.00 0.00 C ATOM 0 H VAL A 38 -4.076 -2.046 4.488 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.748 -2.408 3.427 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.493 -4.402 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.702 -5.733 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.690 -5.462 3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.000 -4.516 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.032 -4.072 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.260 -2.785 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.792 -2.575 2.359 1.00 0.00 H new ATOM 611 N ARG A 39 -7.841 -3.247 5.520 1.00 0.00 N ATOM 612 CA ARG A 39 -8.499 -3.732 6.724 1.00 0.00 C ATOM 613 C ARG A 39 -9.112 -5.100 6.455 1.00 0.00 C ATOM 614 O ARG A 39 -10.330 -5.242 6.372 1.00 0.00 O ATOM 615 CB ARG A 39 -9.563 -2.726 7.185 1.00 0.00 C ATOM 616 CG ARG A 39 -10.137 -2.999 8.569 1.00 0.00 C ATOM 617 CD ARG A 39 -11.060 -1.868 9.002 1.00 0.00 C ATOM 618 NE ARG A 39 -11.619 -2.078 10.337 1.00 0.00 N ATOM 619 CZ ARG A 39 -12.283 -1.146 11.024 1.00 0.00 C ATOM 620 NH1 ARG A 39 -12.446 0.075 10.528 1.00 0.00 N ATOM 621 NH2 ARG A 39 -12.786 -1.437 12.216 1.00 0.00 N ATOM 0 H ARG A 39 -8.446 -2.718 4.892 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.767 -3.835 7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.127 -1.727 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.379 -2.723 6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.686 -3.940 8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.326 -3.109 9.289 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.508 -0.928 8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.873 -1.772 8.283 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.494 -2.993 10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.062 0.309 9.613 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.955 0.779 11.062 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.665 -2.372 12.606 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.294 -0.726 12.743 1.00 0.00 H new ATOM 635 N ASP A 40 -8.230 -6.087 6.274 1.00 0.00 N ATOM 636 CA ASP A 40 -8.621 -7.471 5.991 1.00 0.00 C ATOM 637 C ASP A 40 -9.554 -7.550 4.784 1.00 0.00 C ATOM 638 O ASP A 40 -10.774 -7.654 4.922 1.00 0.00 O ATOM 639 CB ASP A 40 -9.267 -8.122 7.221 1.00 0.00 C ATOM 640 CG ASP A 40 -9.626 -9.581 6.998 1.00 0.00 C ATOM 641 OD1 ASP A 40 -8.914 -10.268 6.234 1.00 0.00 O ATOM 642 OD2 ASP A 40 -10.624 -10.050 7.590 1.00 0.00 O ATOM 0 H ASP A 40 -7.221 -5.948 6.320 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.715 -8.026 5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.584 -8.046 8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.167 -7.568 7.488 1.00 0.00 H new ATOM 647 N GLY A 41 -8.977 -7.453 3.593 1.00 0.00 N ATOM 648 CA GLY A 41 -9.763 -7.555 2.379 1.00 0.00 C ATOM 649 C GLY A 41 -10.118 -6.205 1.789 1.00 0.00 C ATOM 650 O GLY A 41 -9.926 -5.979 0.595 1.00 0.00 O ATOM 0 H GLY A 41 -7.978 -7.305 3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.208 -8.133 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.680 -8.105 2.591 1.00 0.00 H new ATOM 654 N VAL A 42 -10.618 -5.299 2.617 1.00 0.00 N ATOM 655 CA VAL A 42 -11.067 -4.003 2.133 1.00 0.00 C ATOM 656 C VAL A 42 -10.060 -2.916 2.487 1.00 0.00 C ATOM 657 O VAL A 42 -9.806 -2.659 3.666 1.00 0.00 O ATOM 658 CB VAL A 42 -12.449 -3.627 2.708 1.00 0.00 C ATOM 659 CG1 VAL A 42 -12.890 -2.259 2.210 1.00 0.00 C ATOM 660 CG2 VAL A 42 -13.481 -4.676 2.336 1.00 0.00 C ATOM 0 H VAL A 42 -10.722 -5.437 3.622 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.153 -4.079 1.049 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.364 -3.586 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.867 -2.017 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.165 -1.507 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.955 -2.271 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.450 -4.396 2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -13.555 -4.744 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.180 -5.642 2.741 1.00 0.00 H new ATOM 670 N PRO A 43 -9.461 -2.281 1.471 1.00 0.00 N ATOM 671 CA PRO A 43 -8.545 -1.161 1.673 1.00 0.00 C ATOM 672 C PRO A 43 -9.284 0.100 2.104 1.00 0.00 C ATOM 673 O PRO A 43 -10.132 0.614 1.375 1.00 0.00 O ATOM 674 CB PRO A 43 -7.905 -0.967 0.299 1.00 0.00 C ATOM 675 CG PRO A 43 -8.901 -1.503 -0.668 1.00 0.00 C ATOM 676 CD PRO A 43 -9.623 -2.616 0.044 1.00 0.00 C ATOM 0 HA PRO A 43 -7.820 -1.358 2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.694 0.085 0.107 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.957 -1.500 0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.597 -0.725 -0.981 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.410 -1.872 -1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.674 -2.658 -0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.190 -3.589 -0.191 1.00 0.00 H new ATOM 684 N ILE A 44 -8.970 0.590 3.290 1.00 0.00 N ATOM 685 CA ILE A 44 -9.634 1.767 3.817 1.00 0.00 C ATOM 686 C ILE A 44 -9.055 3.024 3.188 1.00 0.00 C ATOM 687 O ILE A 44 -8.003 3.517 3.597 1.00 0.00 O ATOM 688 CB ILE A 44 -9.522 1.856 5.357 1.00 0.00 C ATOM 689 CG1 ILE A 44 -10.029 0.566 6.007 1.00 0.00 C ATOM 690 CG2 ILE A 44 -10.306 3.053 5.876 1.00 0.00 C ATOM 691 CD1 ILE A 44 -11.465 0.233 5.661 1.00 0.00 C ATOM 0 H ILE A 44 -8.261 0.191 3.905 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.691 1.682 3.563 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.472 1.986 5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.389 -0.261 5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.937 0.655 7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -10.218 3.103 6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.907 3.967 5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.356 2.947 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.753 -0.693 6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.116 1.041 5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.560 0.111 4.582 1.00 0.00 H new ATOM 703 N MET A 45 -9.745 3.527 2.176 1.00 0.00 N ATOM 704 CA MET A 45 -9.301 4.715 1.461 1.00 0.00 C ATOM 705 C MET A 45 -9.982 5.957 2.021 1.00 0.00 C ATOM 706 O MET A 45 -10.116 6.971 1.341 1.00 0.00 O ATOM 707 CB MET A 45 -9.585 4.567 -0.038 1.00 0.00 C ATOM 708 CG MET A 45 -8.984 3.302 -0.626 1.00 0.00 C ATOM 709 SD MET A 45 -9.168 3.194 -2.415 1.00 0.00 S ATOM 710 CE MET A 45 -8.070 4.505 -2.946 1.00 0.00 C ATOM 0 H MET A 45 -10.618 3.130 1.830 1.00 0.00 H new ATOM 0 HA MET A 45 -8.225 4.826 1.598 1.00 0.00 H new ATOM 0 HB2 MET A 45 -10.663 4.562 -0.201 1.00 0.00 H new ATOM 0 HB3 MET A 45 -9.187 5.433 -0.566 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.925 3.259 -0.373 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.457 2.435 -0.166 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.766 4.329 -3.978 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.587 5.462 -2.878 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.188 4.523 -2.306 1.00 0.00 H new ATOM 720 N LEU A 46 -10.392 5.866 3.278 1.00 0.00 N ATOM 721 CA LEU A 46 -11.032 6.978 3.965 1.00 0.00 C ATOM 722 C LEU A 46 -9.972 7.892 4.561 1.00 0.00 C ATOM 723 O LEU A 46 -9.017 7.416 5.172 1.00 0.00 O ATOM 724 CB LEU A 46 -11.955 6.457 5.073 1.00 0.00 C ATOM 725 CG LEU A 46 -13.093 5.548 4.604 1.00 0.00 C ATOM 726 CD1 LEU A 46 -13.849 4.983 5.795 1.00 0.00 C ATOM 727 CD2 LEU A 46 -14.038 6.307 3.687 1.00 0.00 C ATOM 0 H LEU A 46 -10.291 5.025 3.847 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.629 7.540 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.352 5.911 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.386 7.311 5.595 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.661 4.718 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.655 4.339 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.167 4.403 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.268 5.801 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -14.841 5.645 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.462 7.156 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.490 6.665 2.816 1.00 0.00 H new ATOM 739 N GLU A 47 -10.154 9.197 4.391 1.00 0.00 N ATOM 740 CA GLU A 47 -9.182 10.185 4.853 1.00 0.00 C ATOM 741 C GLU A 47 -9.013 10.132 6.365 1.00 0.00 C ATOM 742 O GLU A 47 -7.928 10.390 6.885 1.00 0.00 O ATOM 743 CB GLU A 47 -9.615 11.585 4.428 1.00 0.00 C ATOM 744 CG GLU A 47 -9.755 11.745 2.925 1.00 0.00 C ATOM 745 CD GLU A 47 -10.209 13.132 2.533 1.00 0.00 C ATOM 746 OE1 GLU A 47 -11.434 13.356 2.444 1.00 0.00 O ATOM 747 OE2 GLU A 47 -9.344 14.001 2.302 1.00 0.00 O ATOM 0 H GLU A 47 -10.972 9.599 3.933 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.221 9.948 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.568 11.821 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.888 12.309 4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.798 11.531 2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.469 11.012 2.549 1.00 0.00 H new ATOM 754 N ALA A 48 -10.087 9.780 7.061 1.00 0.00 N ATOM 755 CA ALA A 48 -10.061 9.662 8.514 1.00 0.00 C ATOM 756 C ALA A 48 -9.087 8.576 8.962 1.00 0.00 C ATOM 757 O ALA A 48 -8.593 8.592 10.088 1.00 0.00 O ATOM 758 CB ALA A 48 -11.456 9.370 9.042 1.00 0.00 C ATOM 0 H ALA A 48 -10.992 9.570 6.640 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.718 10.612 8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.423 9.284 10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.128 10.181 8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.818 8.435 8.615 1.00 0.00 H new ATOM 764 N GLU A 49 -8.807 7.637 8.066 1.00 0.00 N ATOM 765 CA GLU A 49 -7.922 6.521 8.370 1.00 0.00 C ATOM 766 C GLU A 49 -6.687 6.548 7.474 1.00 0.00 C ATOM 767 O GLU A 49 -5.857 5.637 7.515 1.00 0.00 O ATOM 768 CB GLU A 49 -8.665 5.197 8.182 1.00 0.00 C ATOM 769 CG GLU A 49 -9.875 5.033 9.088 1.00 0.00 C ATOM 770 CD GLU A 49 -9.502 4.936 10.553 1.00 0.00 C ATOM 771 OE1 GLU A 49 -9.010 3.868 10.972 1.00 0.00 O ATOM 772 OE2 GLU A 49 -9.707 5.921 11.296 1.00 0.00 O ATOM 0 H GLU A 49 -9.183 7.628 7.118 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.601 6.613 9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.988 5.118 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.973 4.375 8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.548 5.878 8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.422 4.136 8.797 1.00 0.00 H new ATOM 779 N ALA A 50 -6.560 7.602 6.681 1.00 0.00 N ATOM 780 CA ALA A 50 -5.489 7.696 5.704 1.00 0.00 C ATOM 781 C ALA A 50 -4.222 8.262 6.324 1.00 0.00 C ATOM 782 O ALA A 50 -4.270 9.189 7.139 1.00 0.00 O ATOM 783 CB ALA A 50 -5.922 8.546 4.521 1.00 0.00 C ATOM 0 H ALA A 50 -7.188 8.405 6.697 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.270 6.688 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.108 8.606 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.794 8.094 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.175 9.548 4.866 1.00 0.00 H new ATOM 789 N ARG A 51 -3.092 7.692 5.941 1.00 0.00 N ATOM 790 CA ARG A 51 -1.798 8.168 6.397 1.00 0.00 C ATOM 791 C ARG A 51 -1.067 8.861 5.256 1.00 0.00 C ATOM 792 O ARG A 51 -0.890 8.282 4.189 1.00 0.00 O ATOM 793 CB ARG A 51 -0.955 7.000 6.920 1.00 0.00 C ATOM 794 CG ARG A 51 0.517 7.344 7.086 1.00 0.00 C ATOM 795 CD ARG A 51 1.360 6.104 7.323 1.00 0.00 C ATOM 796 NE ARG A 51 2.777 6.359 7.070 1.00 0.00 N ATOM 797 CZ ARG A 51 3.641 5.425 6.672 1.00 0.00 C ATOM 798 NH1 ARG A 51 3.250 4.162 6.532 1.00 0.00 N ATOM 799 NH2 ARG A 51 4.900 5.754 6.413 1.00 0.00 N ATOM 0 H ARG A 51 -3.046 6.892 5.310 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.954 8.880 7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.355 6.674 7.880 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.049 6.158 6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.873 7.861 6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.638 8.032 7.923 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.229 5.765 8.351 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.014 5.299 6.675 1.00 0.00 H new ATOM 0 HE ARG A 51 3.125 7.308 7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.284 3.902 6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.916 3.453 6.227 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.206 6.721 6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.561 5.040 6.108 1.00 0.00 H new ATOM 813 N SER A 52 -0.656 10.096 5.475 1.00 0.00 N ATOM 814 CA SER A 52 0.135 10.807 4.490 1.00 0.00 C ATOM 815 C SER A 52 1.604 10.465 4.657 1.00 0.00 C ATOM 816 O SER A 52 2.040 10.033 5.726 1.00 0.00 O ATOM 817 CB SER A 52 -0.080 12.315 4.606 1.00 0.00 C ATOM 818 OG SER A 52 0.855 13.047 3.827 1.00 0.00 O ATOM 0 H SER A 52 -0.856 10.626 6.323 1.00 0.00 H new ATOM 0 HA SER A 52 -0.188 10.496 3.497 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.092 12.563 4.285 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.005 12.614 5.651 1.00 0.00 H new ATOM 0 HG SER A 52 0.589 13.990 3.797 1.00 0.00 H new ATOM 824 N LEU A 53 2.359 10.654 3.594 1.00 0.00 N ATOM 825 CA LEU A 53 3.794 10.424 3.634 1.00 0.00 C ATOM 826 C LEU A 53 4.504 11.677 4.123 1.00 0.00 C ATOM 827 O LEU A 53 5.725 11.701 4.274 1.00 0.00 O ATOM 828 CB LEU A 53 4.321 10.008 2.259 1.00 0.00 C ATOM 829 CG LEU A 53 3.765 8.684 1.728 1.00 0.00 C ATOM 830 CD1 LEU A 53 4.409 8.335 0.397 1.00 0.00 C ATOM 831 CD2 LEU A 53 3.980 7.565 2.738 1.00 0.00 C ATOM 0 H LEU A 53 2.005 10.966 2.690 1.00 0.00 H new ATOM 0 HA LEU A 53 3.996 9.608 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.088 10.796 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.407 9.935 2.310 1.00 0.00 H new ATOM 0 HG LEU A 53 2.692 8.799 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.003 7.391 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.200 9.123 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.487 8.240 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.577 6.633 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.047 7.447 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.470 7.812 3.669 1.00 0.00 H new ATOM 843 N ASP A 54 3.718 12.719 4.363 1.00 0.00 N ATOM 844 CA ASP A 54 4.231 13.962 4.915 1.00 0.00 C ATOM 845 C ASP A 54 4.488 13.807 6.409 1.00 0.00 C ATOM 846 O ASP A 54 5.563 14.142 6.907 1.00 0.00 O ATOM 847 CB ASP A 54 3.238 15.097 4.667 1.00 0.00 C ATOM 848 CG ASP A 54 3.709 16.414 5.243 1.00 0.00 C ATOM 849 OD1 ASP A 54 4.413 17.156 4.532 1.00 0.00 O ATOM 850 OD2 ASP A 54 3.377 16.718 6.407 1.00 0.00 O ATOM 0 H ASP A 54 2.714 12.725 4.181 1.00 0.00 H new ATOM 0 HA ASP A 54 5.172 14.204 4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.079 15.209 3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.275 14.836 5.106 1.00 0.00 H new ATOM 855 N ALA A 55 3.494 13.286 7.115 1.00 0.00 N ATOM 856 CA ALA A 55 3.617 13.049 8.547 1.00 0.00 C ATOM 857 C ALA A 55 4.302 11.712 8.795 1.00 0.00 C ATOM 858 O ALA A 55 3.650 10.700 9.064 1.00 0.00 O ATOM 859 CB ALA A 55 2.253 13.090 9.217 1.00 0.00 C ATOM 0 H ALA A 55 2.593 13.019 6.719 1.00 0.00 H new ATOM 0 HA ALA A 55 4.228 13.840 8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.367 12.911 10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.800 14.069 9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.613 12.320 8.786 1.00 0.00 H new ATOM 865 N GLU A 56 5.615 11.713 8.676 1.00 0.00 N ATOM 866 CA GLU A 56 6.392 10.496 8.785 1.00 0.00 C ATOM 867 C GLU A 56 7.701 10.755 9.517 1.00 0.00 C ATOM 868 O GLU A 56 8.305 11.819 9.376 1.00 0.00 O ATOM 869 CB GLU A 56 6.671 9.947 7.386 1.00 0.00 C ATOM 870 CG GLU A 56 7.499 8.675 7.372 1.00 0.00 C ATOM 871 CD GLU A 56 7.841 8.231 5.970 1.00 0.00 C ATOM 872 OE1 GLU A 56 8.818 8.759 5.397 1.00 0.00 O ATOM 873 OE2 GLU A 56 7.123 7.366 5.430 1.00 0.00 O ATOM 0 H GLU A 56 6.169 12.551 8.502 1.00 0.00 H new ATOM 0 HA GLU A 56 5.823 9.764 9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.721 9.755 6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.188 10.710 6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.419 8.836 7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.950 7.881 7.879 1.00 0.00 H new ATOM 880 N ALA A 57 8.122 9.786 10.311 1.00 0.00 N ATOM 881 CA ALA A 57 9.399 9.861 10.993 1.00 0.00 C ATOM 882 C ALA A 57 10.404 8.941 10.313 1.00 0.00 C ATOM 883 O ALA A 57 10.176 7.736 10.216 1.00 0.00 O ATOM 884 CB ALA A 57 9.249 9.491 12.463 1.00 0.00 C ATOM 0 H ALA A 57 7.594 8.934 10.499 1.00 0.00 H new ATOM 0 HA ALA A 57 9.764 10.887 10.938 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.220 9.554 12.955 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.554 10.180 12.942 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.866 8.474 12.545 1.00 0.00 H new ATOM 890 N PRO A 58 11.514 9.505 9.809 1.00 0.00 N ATOM 891 CA PRO A 58 12.567 8.731 9.145 1.00 0.00 C ATOM 892 C PRO A 58 13.065 7.570 10.000 1.00 0.00 C ATOM 893 O PRO A 58 13.153 7.674 11.226 1.00 0.00 O ATOM 894 CB PRO A 58 13.684 9.750 8.934 1.00 0.00 C ATOM 895 CG PRO A 58 12.990 11.066 8.892 1.00 0.00 C ATOM 896 CD PRO A 58 11.820 10.946 9.828 1.00 0.00 C ATOM 0 HA PRO A 58 12.209 8.273 8.223 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.413 9.712 9.743 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.226 9.558 8.008 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.658 11.870 9.203 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.658 11.300 7.880 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.071 11.290 10.831 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.972 11.541 9.490 1.00 0.00 H new ATOM 904 N ALA A 59 13.393 6.467 9.349 1.00 0.00 N ATOM 905 CA ALA A 59 13.833 5.272 10.047 1.00 0.00 C ATOM 906 C ALA A 59 15.345 5.266 10.205 1.00 0.00 C ATOM 907 O ALA A 59 16.078 5.615 9.277 1.00 0.00 O ATOM 908 CB ALA A 59 13.370 4.026 9.303 1.00 0.00 C ATOM 0 H ALA A 59 13.362 6.375 8.334 1.00 0.00 H new ATOM 0 HA ALA A 59 13.387 5.271 11.042 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.707 3.137 9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.282 4.022 9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.790 4.026 8.297 1.00 0.00 H new ATOM 914 N GLN A 60 15.798 4.895 11.393 1.00 0.00 N ATOM 915 CA GLN A 60 17.221 4.788 11.680 1.00 0.00 C ATOM 916 C GLN A 60 17.776 3.484 11.103 1.00 0.00 C ATOM 917 O GLN A 60 17.010 2.558 10.829 1.00 0.00 O ATOM 918 CB GLN A 60 17.456 4.849 13.193 1.00 0.00 C ATOM 919 CG GLN A 60 16.807 3.710 13.962 1.00 0.00 C ATOM 920 CD GLN A 60 17.040 3.805 15.456 1.00 0.00 C ATOM 921 OE1 GLN A 60 18.037 3.300 15.974 1.00 0.00 O ATOM 922 NE2 GLN A 60 16.128 4.460 16.158 1.00 0.00 N ATOM 0 H GLN A 60 15.194 4.661 12.181 1.00 0.00 H new ATOM 0 HA GLN A 60 17.743 5.623 11.213 1.00 0.00 H new ATOM 0 HB2 GLN A 60 18.529 4.839 13.385 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.073 5.796 13.573 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.735 3.709 13.765 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.199 2.761 13.597 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.317 4.863 15.690 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.237 4.561 17.167 1.00 0.00 H new ATOM 931 N PRO A 61 19.107 3.400 10.892 1.00 0.00 N ATOM 932 CA PRO A 61 19.756 2.194 10.359 1.00 0.00 C ATOM 933 C PRO A 61 19.442 0.949 11.187 1.00 0.00 C ATOM 934 O PRO A 61 20.059 0.703 12.221 1.00 0.00 O ATOM 935 CB PRO A 61 21.251 2.523 10.428 1.00 0.00 C ATOM 936 CG PRO A 61 21.314 4.010 10.423 1.00 0.00 C ATOM 937 CD PRO A 61 20.082 4.478 11.147 1.00 0.00 C ATOM 0 HA PRO A 61 19.408 1.960 9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 61 21.705 2.111 11.329 1.00 0.00 H new ATOM 0 HB3 PRO A 61 21.788 2.101 9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 61 22.217 4.364 10.920 1.00 0.00 H new ATOM 0 HG3 PRO A 61 21.339 4.396 9.404 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.267 4.609 12.213 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.731 5.436 10.765 1.00 0.00 H new ATOM 945 N SER A 62 18.463 0.180 10.730 1.00 0.00 N ATOM 946 CA SER A 62 18.016 -1.005 11.450 1.00 0.00 C ATOM 947 C SER A 62 18.080 -2.237 10.551 1.00 0.00 C ATOM 948 O SER A 62 17.464 -3.264 10.832 1.00 0.00 O ATOM 949 CB SER A 62 16.584 -0.789 11.951 1.00 0.00 C ATOM 950 OG SER A 62 16.460 0.461 12.613 1.00 0.00 O ATOM 0 H SER A 62 17.961 0.357 9.860 1.00 0.00 H new ATOM 0 HA SER A 62 18.676 -1.171 12.302 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.891 -0.830 11.111 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.308 -1.594 12.632 1.00 0.00 H new ATOM 0 HG SER A 62 16.561 1.187 11.963 1.00 0.00 H new ATOM 956 N LEU A 63 18.846 -2.131 9.473 1.00 0.00 N ATOM 957 CA LEU A 63 18.958 -3.215 8.509 1.00 0.00 C ATOM 958 C LEU A 63 20.124 -4.130 8.857 1.00 0.00 C ATOM 959 O LEU A 63 21.288 -3.738 8.742 1.00 0.00 O ATOM 960 CB LEU A 63 19.137 -2.649 7.097 1.00 0.00 C ATOM 961 CG LEU A 63 17.997 -1.754 6.603 1.00 0.00 C ATOM 962 CD1 LEU A 63 18.318 -1.193 5.225 1.00 0.00 C ATOM 963 CD2 LEU A 63 16.687 -2.528 6.569 1.00 0.00 C ATOM 0 H LEU A 63 19.399 -1.305 9.245 1.00 0.00 H new ATOM 0 HA LEU A 63 18.039 -3.801 8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 63 20.065 -2.078 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 63 19.252 -3.480 6.402 1.00 0.00 H new ATOM 0 HG LEU A 63 17.888 -0.922 7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 63 17.497 -0.559 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.233 -0.604 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 63 18.454 -2.014 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.888 -1.876 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 63 16.785 -3.380 5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.448 -2.883 7.571 1.00 0.00 H new ATOM 975 N GLU A 64 19.808 -5.341 9.290 1.00 0.00 N ATOM 976 CA GLU A 64 20.828 -6.324 9.615 1.00 0.00 C ATOM 977 C GLU A 64 21.209 -7.120 8.369 1.00 0.00 C ATOM 978 O GLU A 64 20.793 -6.774 7.260 1.00 0.00 O ATOM 979 CB GLU A 64 20.337 -7.243 10.748 1.00 0.00 C ATOM 980 CG GLU A 64 18.972 -7.891 10.517 1.00 0.00 C ATOM 981 CD GLU A 64 19.051 -9.236 9.817 1.00 0.00 C ATOM 982 OE1 GLU A 64 19.729 -10.145 10.346 1.00 0.00 O ATOM 983 OE2 GLU A 64 18.428 -9.396 8.749 1.00 0.00 O ATOM 0 H GLU A 64 18.851 -5.666 9.424 1.00 0.00 H new ATOM 0 HA GLU A 64 21.723 -5.811 9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.074 -8.031 10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.295 -6.664 11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.472 -8.019 11.477 1.00 0.00 H new ATOM 0 HG3 GLU A 64 18.354 -7.217 9.923 1.00 0.00 H new ATOM 990 N HIS A 65 22.009 -8.168 8.545 1.00 0.00 N ATOM 991 CA HIS A 65 22.420 -9.009 7.423 1.00 0.00 C ATOM 992 C HIS A 65 21.263 -9.894 6.984 1.00 0.00 C ATOM 993 O HIS A 65 21.135 -11.042 7.410 1.00 0.00 O ATOM 994 CB HIS A 65 23.645 -9.862 7.778 1.00 0.00 C ATOM 995 CG HIS A 65 24.921 -9.084 7.890 1.00 0.00 C ATOM 996 ND1 HIS A 65 25.669 -8.697 6.797 1.00 0.00 N ATOM 997 CD2 HIS A 65 25.592 -8.635 8.977 1.00 0.00 C ATOM 998 CE1 HIS A 65 26.741 -8.047 7.207 1.00 0.00 C ATOM 999 NE2 HIS A 65 26.718 -7.997 8.524 1.00 0.00 N ATOM 0 H HIS A 65 22.384 -8.455 9.449 1.00 0.00 H new ATOM 0 HA HIS A 65 22.703 -8.356 6.597 1.00 0.00 H new ATOM 0 HB2 HIS A 65 23.458 -10.371 8.724 1.00 0.00 H new ATOM 0 HB3 HIS A 65 23.769 -10.635 7.019 1.00 0.00 H new ATOM 0 HD2 HIS A 65 25.296 -8.757 10.008 1.00 0.00 H new ATOM 0 HE1 HIS A 65 27.507 -7.627 6.572 1.00 0.00 H new ATOM 0 HE2 HIS A 65 27.425 -7.555 9.112 1.00 0.00 H new ATOM 1008 N HIS A 66 20.420 -9.341 6.136 1.00 0.00 N ATOM 1009 CA HIS A 66 19.171 -9.982 5.764 1.00 0.00 C ATOM 1010 C HIS A 66 19.354 -10.953 4.603 1.00 0.00 C ATOM 1011 O HIS A 66 19.739 -10.564 3.500 1.00 0.00 O ATOM 1012 CB HIS A 66 18.103 -8.926 5.420 1.00 0.00 C ATOM 1013 CG HIS A 66 18.465 -8.030 4.271 1.00 0.00 C ATOM 1014 ND1 HIS A 66 17.824 -8.072 3.055 1.00 0.00 N ATOM 1015 CD2 HIS A 66 19.422 -7.081 4.155 1.00 0.00 C ATOM 1016 CE1 HIS A 66 18.375 -7.195 2.239 1.00 0.00 C ATOM 1017 NE2 HIS A 66 19.351 -6.577 2.881 1.00 0.00 N ATOM 0 H HIS A 66 20.578 -8.439 5.686 1.00 0.00 H new ATOM 0 HA HIS A 66 18.832 -10.560 6.624 1.00 0.00 H new ATOM 0 HB2 HIS A 66 17.168 -9.435 5.187 1.00 0.00 H new ATOM 0 HB3 HIS A 66 17.920 -8.311 6.301 1.00 0.00 H new ATOM 0 HD2 HIS A 66 20.115 -6.776 4.925 1.00 0.00 H new ATOM 0 HE1 HIS A 66 18.078 -7.012 1.217 1.00 0.00 H new ATOM 0 HE2 HIS A 66 19.951 -5.848 2.494 1.00 0.00 H new ATOM 1026 N HIS A 67 19.102 -12.224 4.871 1.00 0.00 N ATOM 1027 CA HIS A 67 18.997 -13.216 3.812 1.00 0.00 C ATOM 1028 C HIS A 67 17.569 -13.741 3.780 1.00 0.00 C ATOM 1029 O HIS A 67 17.074 -14.155 2.736 1.00 0.00 O ATOM 1030 CB HIS A 67 20.006 -14.370 3.989 1.00 0.00 C ATOM 1031 CG HIS A 67 19.699 -15.324 5.110 1.00 0.00 C ATOM 1032 ND1 HIS A 67 19.080 -16.545 4.920 1.00 0.00 N ATOM 1033 CD2 HIS A 67 19.958 -15.243 6.436 1.00 0.00 C ATOM 1034 CE1 HIS A 67 18.972 -17.166 6.080 1.00 0.00 C ATOM 1035 NE2 HIS A 67 19.499 -16.399 7.015 1.00 0.00 N ATOM 0 H HIS A 67 18.966 -12.593 5.812 1.00 0.00 H new ATOM 0 HA HIS A 67 19.242 -12.741 2.862 1.00 0.00 H new ATOM 0 HB2 HIS A 67 20.056 -14.934 3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 67 20.995 -13.944 4.157 1.00 0.00 H new ATOM 0 HD2 HIS A 67 20.438 -14.420 6.945 1.00 0.00 H new ATOM 0 HE1 HIS A 67 18.527 -18.138 6.237 1.00 0.00 H new ATOM 0 HE2 HIS A 67 19.556 -16.628 8.007 1.00 0.00 H new ATOM 1044 N HIS A 68 16.922 -13.688 4.952 1.00 0.00 N ATOM 1045 CA HIS A 68 15.529 -14.101 5.136 1.00 0.00 C ATOM 1046 C HIS A 68 15.266 -15.500 4.579 1.00 0.00 C ATOM 1047 O HIS A 68 15.425 -16.497 5.284 1.00 0.00 O ATOM 1048 CB HIS A 68 14.571 -13.084 4.504 1.00 0.00 C ATOM 1049 CG HIS A 68 13.147 -13.248 4.949 1.00 0.00 C ATOM 1050 ND1 HIS A 68 12.104 -13.497 4.082 1.00 0.00 N ATOM 1051 CD2 HIS A 68 12.599 -13.204 6.187 1.00 0.00 C ATOM 1052 CE1 HIS A 68 10.980 -13.600 4.768 1.00 0.00 C ATOM 1053 NE2 HIS A 68 11.253 -13.425 6.047 1.00 0.00 N ATOM 0 H HIS A 68 17.360 -13.352 5.810 1.00 0.00 H new ATOM 0 HA HIS A 68 15.345 -14.137 6.210 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.907 -12.077 4.752 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.618 -13.178 3.419 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.125 -13.027 7.113 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.002 -13.795 4.352 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.574 -13.450 6.807 1.00 0.00 H new ATOM 1062 N HIS A 69 14.887 -15.558 3.312 1.00 0.00 N ATOM 1063 CA HIS A 69 14.537 -16.805 2.659 1.00 0.00 C ATOM 1064 C HIS A 69 14.625 -16.624 1.149 1.00 0.00 C ATOM 1065 O HIS A 69 14.108 -15.648 0.609 1.00 0.00 O ATOM 1066 CB HIS A 69 13.116 -17.228 3.058 1.00 0.00 C ATOM 1067 CG HIS A 69 12.701 -18.565 2.518 1.00 0.00 C ATOM 1068 ND1 HIS A 69 12.060 -18.731 1.306 1.00 0.00 N ATOM 1069 CD2 HIS A 69 12.830 -19.807 3.044 1.00 0.00 C ATOM 1070 CE1 HIS A 69 11.812 -20.013 1.113 1.00 0.00 C ATOM 1071 NE2 HIS A 69 12.272 -20.684 2.150 1.00 0.00 N ATOM 0 H HIS A 69 14.814 -14.739 2.708 1.00 0.00 H new ATOM 0 HA HIS A 69 15.232 -17.585 2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 69 13.047 -17.250 4.146 1.00 0.00 H new ATOM 0 HB3 HIS A 69 12.412 -16.473 2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.287 -20.059 3.990 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.317 -20.439 0.253 1.00 0.00 H new ATOM 0 HE2 HIS A 69 12.221 -21.696 2.269 1.00 0.00 H new ATOM 1080 N HIS A 70 15.295 -17.543 0.478 1.00 0.00 N ATOM 1081 CA HIS A 70 15.405 -17.504 -0.972 1.00 0.00 C ATOM 1082 C HIS A 70 14.992 -18.844 -1.552 1.00 0.00 C ATOM 1083 O HIS A 70 15.830 -19.768 -1.557 1.00 0.00 O ATOM 1084 CB HIS A 70 16.831 -17.153 -1.410 1.00 0.00 C ATOM 1085 CG HIS A 70 17.243 -15.758 -1.066 1.00 0.00 C ATOM 1086 ND1 HIS A 70 18.293 -15.470 -0.224 1.00 0.00 N ATOM 1087 CD2 HIS A 70 16.748 -14.564 -1.464 1.00 0.00 C ATOM 1088 CE1 HIS A 70 18.426 -14.161 -0.120 1.00 0.00 C ATOM 1089 NE2 HIS A 70 17.499 -13.588 -0.860 1.00 0.00 N ATOM 1090 OXT HIS A 70 13.826 -18.972 -1.972 1.00 0.00 O ATOM 0 H HIS A 70 15.774 -18.330 0.915 1.00 0.00 H new ATOM 0 HA HIS A 70 14.740 -16.727 -1.347 1.00 0.00 H new ATOM 0 HB2 HIS A 70 17.526 -17.852 -0.945 1.00 0.00 H new ATOM 0 HB3 HIS A 70 16.914 -17.291 -2.488 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.915 -14.408 -2.134 1.00 0.00 H new ATOM 0 HE1 HIS A 70 19.169 -13.647 0.472 1.00 0.00 H new ATOM 0 HE2 HIS A 70 17.362 -12.583 -0.966 1.00 0.00 H new TER 1099 HIS A 70